USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 56 LYS NZ :NH3+ -171:sc= 0.421 (180deg=0) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -7.7! C(o=-7.3!,f=-16!) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.23 K(o=-3.4,f=-19!) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -161:sc= -0.367! (180deg=-2.74!) USER MOD Set 2.3: A 83 THR OG1 : rot 180:sc= -1.81! USER MOD Set 3.1: A 31 THR OG1 : rot -90:sc= -2.54! USER MOD Set 3.2: A 62 ASN : amide:sc= -3.55! K(o=-6.1!,f=-3.4) USER MOD Set 3.3: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 33:sc= 0.00787 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -70:sc= -2.61 USER MOD Single : A 17 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -124:sc= -0.206 (180deg=-0.888) USER MOD Single : A 26 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.26) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0281) USER MOD Single : A 32 ASN : amide:sc= -7.71! C(o=-7.7!,f=-10!) USER MOD Single : A 34 THR OG1 : rot -59:sc= 1.14 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00243) USER MOD Single : A 42 GLN : amide:sc= -9.07! C(o=-9.1!,f=-6.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 44 LYS NZ :NH3+ 130:sc= -0.314 (180deg=-1.98!) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000807 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 104:sc= 0.151 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= -0.604 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 130:sc= -3.48! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.16) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.71! C(o=-3.7!,f=-3.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.339 -5.169 -8.921 1.00 0.00 N ATOM 87 CA SER A 7 -16.283 -6.198 -8.402 1.00 0.00 C ATOM 88 C SER A 7 -15.858 -6.610 -6.993 1.00 0.00 C ATOM 89 O SER A 7 -16.262 -6.013 -6.013 1.00 0.00 O ATOM 90 CB SER A 7 -16.264 -7.423 -9.319 1.00 0.00 C ATOM 91 OG SER A 7 -16.862 -7.086 -10.564 1.00 0.00 O ATOM 0 HA SER A 7 -17.291 -5.784 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.239 -7.760 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.804 -8.248 -8.854 1.00 0.00 H new ATOM 0 HG SER A 7 -16.672 -6.148 -10.775 1.00 0.00 H new ATOM 97 N GLU A 8 -15.046 -7.626 -6.879 1.00 0.00 N ATOM 98 CA GLU A 8 -14.602 -8.067 -5.532 1.00 0.00 C ATOM 99 C GLU A 8 -13.284 -7.395 -5.175 1.00 0.00 C ATOM 100 O GLU A 8 -12.222 -7.942 -5.384 1.00 0.00 O ATOM 101 CB GLU A 8 -14.424 -9.590 -5.515 1.00 0.00 C ATOM 102 CG GLU A 8 -15.507 -10.240 -6.378 1.00 0.00 C ATOM 103 CD GLU A 8 -14.882 -10.764 -7.673 1.00 0.00 C ATOM 104 OE1 GLU A 8 -14.034 -11.636 -7.587 1.00 0.00 O ATOM 105 OE2 GLU A 8 -15.263 -10.286 -8.727 1.00 0.00 O ATOM 0 H GLU A 8 -14.673 -8.166 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.359 -7.785 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.436 -9.856 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.486 -9.963 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.979 -11.057 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.289 -9.515 -6.606 1.00 0.00 H new ATOM 112 N ALA A 9 -13.339 -6.209 -4.635 1.00 0.00 N ATOM 113 CA ALA A 9 -12.084 -5.509 -4.260 1.00 0.00 C ATOM 114 C ALA A 9 -12.411 -4.146 -3.658 1.00 0.00 C ATOM 115 O ALA A 9 -13.459 -3.580 -3.905 1.00 0.00 O ATOM 116 CB ALA A 9 -11.221 -5.325 -5.503 1.00 0.00 C ATOM 0 H ALA A 9 -14.199 -5.697 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.544 -6.103 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.298 -4.811 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.982 -6.300 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.764 -4.732 -6.239 1.00 0.00 H new ATOM 122 N LYS A 10 -11.522 -3.613 -2.870 1.00 0.00 N ATOM 123 CA LYS A 10 -11.780 -2.283 -2.252 1.00 0.00 C ATOM 124 C LYS A 10 -10.610 -1.347 -2.564 1.00 0.00 C ATOM 125 O LYS A 10 -9.555 -1.792 -2.971 1.00 0.00 O ATOM 126 CB LYS A 10 -11.926 -2.444 -0.738 1.00 0.00 C ATOM 127 CG LYS A 10 -13.407 -2.386 -0.363 1.00 0.00 C ATOM 128 CD LYS A 10 -13.550 -1.922 1.087 1.00 0.00 C ATOM 129 CE LYS A 10 -14.159 -3.049 1.924 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.431 -2.580 2.542 1.00 0.00 N ATOM 0 H LYS A 10 -10.628 -4.040 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.700 -1.861 -2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.495 -3.393 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.378 -1.656 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.935 -1.702 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.863 -3.368 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.576 -1.642 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.182 -1.035 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.347 -3.921 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.459 -3.359 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.844 -3.347 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.239 -1.761 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.099 -2.305 1.794 1.00 0.00 H new ATOM 144 N PRO A 11 -10.833 -0.072 -2.369 1.00 0.00 N ATOM 145 CA PRO A 11 -9.811 0.956 -2.629 1.00 0.00 C ATOM 146 C PRO A 11 -8.773 0.971 -1.506 1.00 0.00 C ATOM 147 O PRO A 11 -9.052 1.369 -0.392 1.00 0.00 O ATOM 148 CB PRO A 11 -10.608 2.258 -2.668 1.00 0.00 C ATOM 149 CG PRO A 11 -11.916 1.992 -1.883 1.00 0.00 C ATOM 150 CD PRO A 11 -12.116 0.463 -1.870 1.00 0.00 C ATOM 0 HA PRO A 11 -9.253 0.785 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.043 3.073 -2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.824 2.551 -3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.845 2.383 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.761 2.490 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.337 0.098 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.948 0.164 -2.508 1.00 0.00 H new ATOM 158 N ALA A 12 -7.578 0.541 -1.811 1.00 0.00 N ATOM 159 CA ALA A 12 -6.474 0.505 -0.805 1.00 0.00 C ATOM 160 C ALA A 12 -7.021 0.285 0.612 1.00 0.00 C ATOM 161 O ALA A 12 -7.255 1.226 1.344 1.00 0.00 O ATOM 162 CB ALA A 12 -5.713 1.824 -0.835 1.00 0.00 C ATOM 0 H ALA A 12 -7.314 0.205 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.813 -0.323 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.908 1.796 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.293 1.979 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.393 2.642 -0.597 1.00 0.00 H new ATOM 168 N THR A 13 -7.205 -0.940 1.015 1.00 0.00 N ATOM 169 CA THR A 13 -7.715 -1.196 2.397 1.00 0.00 C ATOM 170 C THR A 13 -6.713 -0.623 3.401 1.00 0.00 C ATOM 171 O THR A 13 -5.614 -0.263 3.032 1.00 0.00 O ATOM 172 CB THR A 13 -7.857 -2.705 2.623 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.444 -3.406 1.460 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.320 -3.037 2.932 1.00 0.00 C ATOM 0 H THR A 13 -7.027 -1.773 0.454 1.00 0.00 H new ATOM 0 HA THR A 13 -8.688 -0.723 2.527 1.00 0.00 H new ATOM 0 HB THR A 13 -7.230 -3.006 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.100 -3.268 0.745 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.423 -4.110 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.632 -2.503 3.830 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.947 -2.734 2.093 1.00 0.00 H new ATOM 182 N PRO A 14 -7.106 -0.581 4.650 1.00 0.00 N ATOM 183 CA PRO A 14 -6.230 -0.088 5.724 1.00 0.00 C ATOM 184 C PRO A 14 -5.184 -1.167 6.008 1.00 0.00 C ATOM 185 O PRO A 14 -4.251 -0.981 6.765 1.00 0.00 O ATOM 186 CB PRO A 14 -7.183 0.111 6.908 1.00 0.00 C ATOM 187 CG PRO A 14 -8.413 -0.783 6.628 1.00 0.00 C ATOM 188 CD PRO A 14 -8.435 -1.029 5.105 1.00 0.00 C ATOM 0 HA PRO A 14 -5.692 0.831 5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.703 -0.170 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.475 1.157 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.341 -1.725 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.331 -0.295 6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.602 -2.081 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.233 -0.465 4.621 1.00 0.00 H new ATOM 196 N GLU A 15 -5.351 -2.295 5.371 1.00 0.00 N ATOM 197 CA GLU A 15 -4.416 -3.429 5.524 1.00 0.00 C ATOM 198 C GLU A 15 -3.498 -3.445 4.306 1.00 0.00 C ATOM 199 O GLU A 15 -2.294 -3.319 4.404 1.00 0.00 O ATOM 200 CB GLU A 15 -5.252 -4.706 5.540 1.00 0.00 C ATOM 201 CG GLU A 15 -4.366 -5.918 5.238 1.00 0.00 C ATOM 202 CD GLU A 15 -4.878 -7.131 6.018 1.00 0.00 C ATOM 203 OE1 GLU A 15 -5.782 -7.786 5.529 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.354 -7.384 7.091 1.00 0.00 O ATOM 0 H GLU A 15 -6.125 -2.475 4.732 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.824 -3.348 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.727 -4.827 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.051 -4.636 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.374 -6.130 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.333 -5.705 5.513 1.00 0.00 H new ATOM 211 N ILE A 16 -4.086 -3.598 3.154 1.00 0.00 N ATOM 212 CA ILE A 16 -3.296 -3.619 1.894 1.00 0.00 C ATOM 213 C ILE A 16 -2.394 -2.396 1.837 1.00 0.00 C ATOM 214 O ILE A 16 -1.228 -2.485 1.526 1.00 0.00 O ATOM 215 CB ILE A 16 -4.250 -3.588 0.702 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.182 -4.796 0.781 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.445 -3.650 -0.596 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.353 -6.078 0.684 1.00 0.00 C ATOM 0 H ILE A 16 -5.092 -3.711 3.031 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.689 -4.524 1.863 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.835 -2.668 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.740 -4.779 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.913 -4.760 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.125 -3.628 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.771 -2.795 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.864 -4.572 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.013 -6.943 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.815 -6.093 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.639 -6.113 1.507 1.00 0.00 H new ATOM 230 N GLN A 17 -2.926 -1.247 2.129 1.00 0.00 N ATOM 231 CA GLN A 17 -2.096 -0.020 2.085 1.00 0.00 C ATOM 232 C GLN A 17 -0.903 -0.180 3.029 1.00 0.00 C ATOM 233 O GLN A 17 0.179 0.304 2.760 1.00 0.00 O ATOM 234 CB GLN A 17 -2.952 1.184 2.486 1.00 0.00 C ATOM 235 CG GLN A 17 -3.083 1.264 4.007 1.00 0.00 C ATOM 236 CD GLN A 17 -3.752 2.588 4.382 1.00 0.00 C ATOM 237 OE1 GLN A 17 -3.617 3.057 5.494 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.475 3.215 3.492 1.00 0.00 N ATOM 0 H GLN A 17 -3.900 -1.105 2.396 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.719 0.142 1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.502 2.101 2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.940 1.102 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.673 0.426 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.100 1.194 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.588 2.821 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.926 4.098 3.731 1.00 0.00 H new ATOM 247 N GLU A 18 -1.078 -0.870 4.124 1.00 0.00 N ATOM 248 CA GLU A 18 0.065 -1.064 5.057 1.00 0.00 C ATOM 249 C GLU A 18 1.199 -1.749 4.296 1.00 0.00 C ATOM 250 O GLU A 18 2.363 -1.480 4.517 1.00 0.00 O ATOM 251 CB GLU A 18 -0.364 -1.938 6.238 1.00 0.00 C ATOM 252 CG GLU A 18 0.826 -2.140 7.177 1.00 0.00 C ATOM 253 CD GLU A 18 1.340 -0.777 7.645 1.00 0.00 C ATOM 254 OE1 GLU A 18 1.946 -0.087 6.842 1.00 0.00 O ATOM 255 OE2 GLU A 18 1.122 -0.447 8.798 1.00 0.00 O ATOM 0 H GLU A 18 -1.956 -1.304 4.410 1.00 0.00 H new ATOM 0 HA GLU A 18 0.397 -0.099 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.188 -1.467 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.726 -2.901 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.528 -2.743 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.620 -2.684 6.665 1.00 0.00 H new ATOM 262 N ILE A 19 0.865 -2.621 3.383 1.00 0.00 N ATOM 263 CA ILE A 19 1.920 -3.301 2.583 1.00 0.00 C ATOM 264 C ILE A 19 2.652 -2.230 1.779 1.00 0.00 C ATOM 265 O ILE A 19 3.847 -2.286 1.568 1.00 0.00 O ATOM 266 CB ILE A 19 1.269 -4.327 1.637 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.264 -5.457 1.363 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.875 -3.672 0.303 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.491 -4.889 0.645 1.00 0.00 C ATOM 0 H ILE A 19 -0.093 -2.891 3.158 1.00 0.00 H new ATOM 0 HA ILE A 19 2.620 -3.829 3.231 1.00 0.00 H new ATOM 0 HB ILE A 19 0.369 -4.717 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.562 -5.929 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.796 -6.229 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.417 -4.418 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.164 -2.867 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.764 -3.266 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.202 -5.692 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.184 -4.437 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.962 -4.133 1.273 1.00 0.00 H new ATOM 281 N VAL A 20 1.917 -1.250 1.340 1.00 0.00 N ATOM 282 CA VAL A 20 2.513 -0.142 0.553 1.00 0.00 C ATOM 283 C VAL A 20 3.438 0.659 1.472 1.00 0.00 C ATOM 284 O VAL A 20 4.325 1.347 1.027 1.00 0.00 O ATOM 285 CB VAL A 20 1.379 0.740 0.016 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.893 2.142 -0.330 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.793 0.092 -1.242 1.00 0.00 C ATOM 0 H VAL A 20 0.912 -1.170 1.497 1.00 0.00 H new ATOM 0 HA VAL A 20 3.092 -0.522 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 20 0.614 0.832 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.070 2.748 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.306 2.609 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.669 2.067 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.014 0.714 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.572 -0.004 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.403 -0.896 -0.995 1.00 0.00 H new ATOM 297 N ASP A 21 3.239 0.562 2.757 1.00 0.00 N ATOM 298 CA ASP A 21 4.111 1.303 3.713 1.00 0.00 C ATOM 299 C ASP A 21 5.149 0.345 4.312 1.00 0.00 C ATOM 300 O ASP A 21 6.068 0.760 4.989 1.00 0.00 O ATOM 301 CB ASP A 21 3.254 1.890 4.835 1.00 0.00 C ATOM 302 CG ASP A 21 3.750 3.295 5.172 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.905 3.420 5.543 1.00 0.00 O ATOM 304 OD2 ASP A 21 2.968 4.225 5.053 1.00 0.00 O ATOM 0 H ASP A 21 2.506 -0.001 3.189 1.00 0.00 H new ATOM 0 HA ASP A 21 4.623 2.108 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.209 1.926 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.306 1.253 5.718 1.00 0.00 H new ATOM 309 N LYS A 22 5.005 -0.933 4.078 1.00 0.00 N ATOM 310 CA LYS A 22 5.982 -1.910 4.646 1.00 0.00 C ATOM 311 C LYS A 22 7.117 -2.156 3.646 1.00 0.00 C ATOM 312 O LYS A 22 8.213 -1.662 3.809 1.00 0.00 O ATOM 313 CB LYS A 22 5.270 -3.233 4.944 1.00 0.00 C ATOM 314 CG LYS A 22 5.566 -3.658 6.384 1.00 0.00 C ATOM 315 CD LYS A 22 4.340 -3.397 7.260 1.00 0.00 C ATOM 316 CE LYS A 22 4.630 -3.852 8.692 1.00 0.00 C ATOM 317 NZ LYS A 22 5.059 -2.682 9.509 1.00 0.00 N ATOM 0 H LYS A 22 4.256 -1.342 3.520 1.00 0.00 H new ATOM 0 HA LYS A 22 6.398 -1.503 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.195 -3.120 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.606 -4.003 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.829 -4.715 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.424 -3.105 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.090 -2.336 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.477 -3.932 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.740 -4.306 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.409 -4.614 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.256 -2.992 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.919 -2.267 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.302 -1.969 9.519 1.00 0.00 H new ATOM 331 N VAL A 23 6.866 -2.924 2.619 1.00 0.00 N ATOM 332 CA VAL A 23 7.933 -3.203 1.617 1.00 0.00 C ATOM 333 C VAL A 23 8.010 -2.056 0.608 1.00 0.00 C ATOM 334 O VAL A 23 8.868 -2.030 -0.251 1.00 0.00 O ATOM 335 CB VAL A 23 7.605 -4.502 0.881 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.903 -5.151 0.409 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.874 -5.459 1.826 1.00 0.00 C ATOM 0 H VAL A 23 5.968 -3.370 2.432 1.00 0.00 H new ATOM 0 HA VAL A 23 8.891 -3.298 2.127 1.00 0.00 H new ATOM 0 HB VAL A 23 6.967 -4.284 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.676 -6.078 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.426 -4.471 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.535 -5.368 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.641 -6.384 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.510 -5.680 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.949 -4.995 2.170 1.00 0.00 H new ATOM 347 N LYS A 24 7.124 -1.103 0.710 1.00 0.00 N ATOM 348 CA LYS A 24 7.148 0.046 -0.236 1.00 0.00 C ATOM 349 C LYS A 24 7.101 1.360 0.554 1.00 0.00 C ATOM 350 O LYS A 24 6.279 2.212 0.284 1.00 0.00 O ATOM 351 CB LYS A 24 5.931 -0.046 -1.160 1.00 0.00 C ATOM 352 CG LYS A 24 5.646 -1.517 -1.476 1.00 0.00 C ATOM 353 CD LYS A 24 4.717 -1.608 -2.686 1.00 0.00 C ATOM 354 CE LYS A 24 4.428 -3.077 -3.001 1.00 0.00 C ATOM 355 NZ LYS A 24 4.884 -3.389 -4.387 1.00 0.00 N ATOM 0 H LYS A 24 6.383 -1.072 1.410 1.00 0.00 H new ATOM 0 HA LYS A 24 8.062 0.019 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.063 0.410 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.117 0.506 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.578 -2.043 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.187 -2.003 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.786 -1.079 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.177 -1.124 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.939 -3.721 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.361 -3.277 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.089 -3.774 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.231 -2.521 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.651 -4.091 -4.350 1.00 0.00 H new ATOM 369 N PRO A 25 7.999 1.494 1.504 1.00 0.00 N ATOM 370 CA PRO A 25 8.083 2.700 2.351 1.00 0.00 C ATOM 371 C PRO A 25 8.667 3.872 1.565 1.00 0.00 C ATOM 372 O PRO A 25 8.895 4.937 2.104 1.00 0.00 O ATOM 373 CB PRO A 25 9.015 2.283 3.489 1.00 0.00 C ATOM 374 CG PRO A 25 9.849 1.099 2.949 1.00 0.00 C ATOM 375 CD PRO A 25 9.020 0.471 1.815 1.00 0.00 C ATOM 0 HA PRO A 25 7.110 3.036 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.660 3.110 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.446 1.989 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.816 1.440 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.046 0.371 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.639 0.248 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.562 -0.467 2.129 1.00 0.00 H new ATOM 383 N GLN A 26 8.878 3.699 0.292 1.00 0.00 N ATOM 384 CA GLN A 26 9.405 4.808 -0.527 1.00 0.00 C ATOM 385 C GLN A 26 8.396 5.020 -1.627 1.00 0.00 C ATOM 386 O GLN A 26 7.952 6.107 -1.879 1.00 0.00 O ATOM 387 CB GLN A 26 10.764 4.424 -1.120 1.00 0.00 C ATOM 388 CG GLN A 26 11.858 4.657 -0.076 1.00 0.00 C ATOM 389 CD GLN A 26 12.698 5.868 -0.479 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.150 5.962 -1.602 1.00 0.00 O ATOM 391 NE2 GLN A 26 12.925 6.810 0.396 1.00 0.00 N ATOM 0 H GLN A 26 8.705 2.830 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 26 9.551 5.713 0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.756 3.378 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.965 5.017 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.411 4.821 0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.491 3.773 0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.546 6.732 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.482 7.624 0.136 1.00 0.00 H new ATOM 400 N LEU A 27 7.989 3.960 -2.239 1.00 0.00 N ATOM 401 CA LEU A 27 6.970 4.050 -3.297 1.00 0.00 C ATOM 402 C LEU A 27 5.673 4.601 -2.686 1.00 0.00 C ATOM 403 O LEU A 27 4.764 5.013 -3.378 1.00 0.00 O ATOM 404 CB LEU A 27 6.752 2.634 -3.822 1.00 0.00 C ATOM 405 CG LEU A 27 8.108 2.019 -4.195 1.00 0.00 C ATOM 406 CD1 LEU A 27 8.013 0.493 -4.199 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.517 2.515 -5.583 1.00 0.00 C ATOM 0 H LEU A 27 8.326 3.017 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 27 7.279 4.711 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.259 2.025 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.096 2.653 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 27 8.855 2.320 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.981 0.069 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.724 0.144 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.266 0.177 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.480 2.082 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.765 2.215 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.598 3.602 -5.572 1.00 0.00 H new ATOM 419 N GLU A 28 5.590 4.590 -1.380 1.00 0.00 N ATOM 420 CA GLU A 28 4.368 5.085 -0.673 1.00 0.00 C ATOM 421 C GLU A 28 4.508 6.554 -0.252 1.00 0.00 C ATOM 422 O GLU A 28 3.547 7.174 0.160 1.00 0.00 O ATOM 423 CB GLU A 28 4.142 4.237 0.576 1.00 0.00 C ATOM 424 CG GLU A 28 3.007 4.841 1.404 1.00 0.00 C ATOM 425 CD GLU A 28 3.582 5.826 2.421 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.700 5.607 2.861 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.896 6.781 2.745 1.00 0.00 O ATOM 0 H GLU A 28 6.329 4.253 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 28 3.526 5.006 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.896 3.213 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.056 4.193 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.298 5.350 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.458 4.052 1.917 1.00 0.00 H new ATOM 434 N GLU A 29 5.681 7.122 -0.331 1.00 0.00 N ATOM 435 CA GLU A 29 5.835 8.544 0.093 1.00 0.00 C ATOM 436 C GLU A 29 6.799 9.220 -0.861 1.00 0.00 C ATOM 437 O GLU A 29 7.425 10.213 -0.555 1.00 0.00 O ATOM 438 CB GLU A 29 6.391 8.604 1.518 1.00 0.00 C ATOM 439 CG GLU A 29 7.797 7.998 1.544 1.00 0.00 C ATOM 440 CD GLU A 29 8.679 8.792 2.510 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.998 9.926 2.193 1.00 0.00 O ATOM 442 OE2 GLU A 29 9.019 8.252 3.551 1.00 0.00 O ATOM 0 H GLU A 29 6.531 6.669 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 29 4.869 9.048 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.422 9.637 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.736 8.060 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.749 6.954 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.230 8.014 0.544 1.00 0.00 H new ATOM 449 N LYS A 30 6.921 8.659 -2.019 1.00 0.00 N ATOM 450 CA LYS A 30 7.833 9.203 -3.036 1.00 0.00 C ATOM 451 C LYS A 30 7.033 10.067 -3.982 1.00 0.00 C ATOM 452 O LYS A 30 7.211 11.266 -4.053 1.00 0.00 O ATOM 453 CB LYS A 30 8.425 8.019 -3.772 1.00 0.00 C ATOM 454 CG LYS A 30 9.751 8.414 -4.427 1.00 0.00 C ATOM 455 CD LYS A 30 10.301 7.231 -5.224 1.00 0.00 C ATOM 456 CE LYS A 30 9.856 7.350 -6.684 1.00 0.00 C ATOM 457 NZ LYS A 30 10.716 8.342 -7.388 1.00 0.00 N ATOM 0 H LYS A 30 6.412 7.824 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 30 8.626 9.808 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.585 7.193 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.727 7.667 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.603 9.271 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.469 8.717 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.389 7.213 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.943 6.294 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.925 6.380 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.812 7.659 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.180 8.776 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.014 9.080 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.556 7.863 -7.771 1.00 0.00 H new ATOM 471 N THR A 31 6.119 9.466 -4.681 1.00 0.00 N ATOM 472 CA THR A 31 5.257 10.246 -5.597 1.00 0.00 C ATOM 473 C THR A 31 4.809 11.493 -4.838 1.00 0.00 C ATOM 474 O THR A 31 4.608 12.550 -5.402 1.00 0.00 O ATOM 475 CB THR A 31 4.064 9.369 -5.985 1.00 0.00 C ATOM 476 OG1 THR A 31 3.620 9.719 -7.288 1.00 0.00 O ATOM 477 CG2 THR A 31 2.910 9.533 -4.990 1.00 0.00 C ATOM 0 H THR A 31 5.932 8.464 -4.656 1.00 0.00 H new ATOM 0 HA THR A 31 5.775 10.545 -6.508 1.00 0.00 H new ATOM 0 HB THR A 31 4.386 8.328 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.940 10.422 -7.224 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.077 8.898 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.245 9.244 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.587 10.574 -4.976 1.00 0.00 H new ATOM 485 N ASN A 32 4.700 11.353 -3.538 1.00 0.00 N ATOM 486 CA ASN A 32 4.315 12.493 -2.668 1.00 0.00 C ATOM 487 C ASN A 32 3.343 13.411 -3.407 1.00 0.00 C ATOM 488 O ASN A 32 3.430 14.621 -3.328 1.00 0.00 O ATOM 489 CB ASN A 32 5.588 13.252 -2.284 1.00 0.00 C ATOM 490 CG ASN A 32 6.199 13.899 -3.529 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.496 14.444 -4.355 1.00 0.00 O ATOM 492 ND2 ASN A 32 7.492 13.857 -3.700 1.00 0.00 N ATOM 0 H ASN A 32 4.866 10.478 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 32 3.816 12.132 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.357 14.016 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.306 12.570 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.911 14.282 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.084 13.399 -3.006 1.00 0.00 H new ATOM 499 N GLU A 33 2.417 12.839 -4.128 1.00 0.00 N ATOM 500 CA GLU A 33 1.442 13.676 -4.882 1.00 0.00 C ATOM 501 C GLU A 33 0.507 14.379 -3.900 1.00 0.00 C ATOM 502 O GLU A 33 0.347 13.960 -2.770 1.00 0.00 O ATOM 503 CB GLU A 33 0.622 12.784 -5.816 1.00 0.00 C ATOM 504 CG GLU A 33 0.664 13.353 -7.236 1.00 0.00 C ATOM 505 CD GLU A 33 2.001 12.995 -7.890 1.00 0.00 C ATOM 506 OE1 GLU A 33 3.015 13.128 -7.226 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.986 12.595 -9.043 1.00 0.00 O ATOM 0 H GLU A 33 2.294 11.831 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 33 1.980 14.421 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.020 11.769 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.409 12.725 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.160 12.951 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.538 14.435 -7.209 1.00 0.00 H new ATOM 514 N THR A 34 -0.120 15.443 -4.322 1.00 0.00 N ATOM 515 CA THR A 34 -1.052 16.165 -3.413 1.00 0.00 C ATOM 516 C THR A 34 -2.446 15.545 -3.527 1.00 0.00 C ATOM 517 O THR A 34 -3.446 16.233 -3.536 1.00 0.00 O ATOM 518 CB THR A 34 -1.108 17.646 -3.805 1.00 0.00 C ATOM 519 OG1 THR A 34 -2.128 18.293 -3.058 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.406 17.771 -5.300 1.00 0.00 C ATOM 0 H THR A 34 -0.027 15.842 -5.256 1.00 0.00 H new ATOM 0 HA THR A 34 -0.700 16.082 -2.385 1.00 0.00 H new ATOM 0 HB THR A 34 -0.148 18.116 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.989 17.861 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.445 18.825 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.620 17.275 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.365 17.302 -5.520 1.00 0.00 H new ATOM 528 N TYR A 35 -2.511 14.245 -3.613 1.00 0.00 N ATOM 529 CA TYR A 35 -3.829 13.562 -3.725 1.00 0.00 C ATOM 530 C TYR A 35 -3.846 12.353 -2.801 1.00 0.00 C ATOM 531 O TYR A 35 -3.130 12.290 -1.822 1.00 0.00 O ATOM 532 CB TYR A 35 -4.042 13.079 -5.161 1.00 0.00 C ATOM 533 CG TYR A 35 -3.465 14.092 -6.123 1.00 0.00 C ATOM 534 CD1 TYR A 35 -3.986 15.391 -6.164 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.413 13.733 -6.974 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.454 16.331 -7.055 1.00 0.00 C ATOM 537 CE2 TYR A 35 -1.880 14.673 -7.865 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.402 15.973 -7.905 1.00 0.00 C ATOM 539 OH TYR A 35 -1.876 16.898 -8.783 1.00 0.00 O ATOM 0 H TYR A 35 -1.702 13.623 -3.610 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.618 14.262 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.563 12.110 -5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.106 12.941 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.798 15.668 -5.508 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.012 12.731 -6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.856 17.333 -7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.068 14.396 -8.521 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.152 16.485 -9.298 1.00 0.00 H new ATOM 549 N GLY A 36 -4.644 11.380 -3.125 1.00 0.00 N ATOM 550 CA GLY A 36 -4.699 10.154 -2.293 1.00 0.00 C ATOM 551 C GLY A 36 -4.220 8.983 -3.142 1.00 0.00 C ATOM 552 O GLY A 36 -4.972 8.082 -3.455 1.00 0.00 O ATOM 0 H GLY A 36 -5.264 11.382 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.071 10.265 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.716 9.978 -1.941 1.00 0.00 H new ATOM 556 N LYS A 37 -2.968 8.979 -3.516 1.00 0.00 N ATOM 557 CA LYS A 37 -2.446 7.869 -4.331 1.00 0.00 C ATOM 558 C LYS A 37 -1.087 7.502 -3.753 1.00 0.00 C ATOM 559 O LYS A 37 -0.169 7.128 -4.431 1.00 0.00 O ATOM 560 CB LYS A 37 -2.310 8.312 -5.790 1.00 0.00 C ATOM 561 CG LYS A 37 -3.682 8.272 -6.466 1.00 0.00 C ATOM 562 CD LYS A 37 -3.802 9.438 -7.447 1.00 0.00 C ATOM 563 CE LYS A 37 -4.753 10.489 -6.875 1.00 0.00 C ATOM 564 NZ LYS A 37 -6.160 10.023 -7.032 1.00 0.00 N ATOM 0 H LYS A 37 -2.289 9.705 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.118 7.011 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.898 9.320 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.614 7.658 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.813 7.326 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.471 8.332 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.821 9.879 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.172 9.082 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.531 10.661 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.614 11.440 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.809 10.752 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.357 9.847 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.297 9.144 -6.494 1.00 0.00 H new ATOM 578 N LEU A 38 -0.959 7.655 -2.481 1.00 0.00 N ATOM 579 CA LEU A 38 0.305 7.385 -1.795 1.00 0.00 C ATOM 580 C LEU A 38 0.077 6.214 -0.858 1.00 0.00 C ATOM 581 O LEU A 38 0.209 6.336 0.341 1.00 0.00 O ATOM 582 CB LEU A 38 0.612 8.610 -0.960 1.00 0.00 C ATOM 583 CG LEU A 38 0.228 9.908 -1.701 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.401 9.776 -3.218 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.209 10.305 -1.365 1.00 0.00 C ATOM 0 H LEU A 38 -1.711 7.969 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 38 1.113 7.164 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.069 8.554 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.674 8.629 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 38 0.906 10.691 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.119 10.713 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.442 9.549 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.235 8.972 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.466 11.222 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.887 9.508 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.300 10.468 -0.291 1.00 0.00 H new ATOM 597 N GLU A 39 -0.319 5.098 -1.380 1.00 0.00 N ATOM 598 CA GLU A 39 -0.621 3.949 -0.500 1.00 0.00 C ATOM 599 C GLU A 39 -1.065 2.783 -1.373 1.00 0.00 C ATOM 600 O GLU A 39 -0.750 2.724 -2.544 1.00 0.00 O ATOM 601 CB GLU A 39 -1.756 4.371 0.435 1.00 0.00 C ATOM 602 CG GLU A 39 -1.378 4.073 1.889 1.00 0.00 C ATOM 603 CD GLU A 39 -0.632 5.265 2.488 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.276 6.261 2.772 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.574 5.164 2.653 1.00 0.00 O ATOM 0 H GLU A 39 -0.447 4.931 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 39 0.248 3.648 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.960 5.435 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.671 3.839 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.275 3.865 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.753 3.181 1.936 1.00 0.00 H new ATOM 612 N ALA A 40 -1.813 1.871 -0.843 1.00 0.00 N ATOM 613 CA ALA A 40 -2.281 0.746 -1.694 1.00 0.00 C ATOM 614 C ALA A 40 -3.281 1.302 -2.705 1.00 0.00 C ATOM 615 O ALA A 40 -3.862 2.345 -2.504 1.00 0.00 O ATOM 616 CB ALA A 40 -2.962 -0.320 -0.834 1.00 0.00 C ATOM 0 H ALA A 40 -2.121 1.850 0.129 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.433 0.288 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.300 -1.139 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.254 -0.701 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.818 0.119 -0.321 1.00 0.00 H new ATOM 622 N VAL A 41 -3.492 0.612 -3.783 1.00 0.00 N ATOM 623 CA VAL A 41 -4.462 1.093 -4.795 1.00 0.00 C ATOM 624 C VAL A 41 -5.756 0.327 -4.583 1.00 0.00 C ATOM 625 O VAL A 41 -6.845 0.849 -4.724 1.00 0.00 O ATOM 626 CB VAL A 41 -3.899 0.824 -6.209 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.770 -0.175 -6.956 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.874 2.119 -7.012 1.00 0.00 C ATOM 0 H VAL A 41 -3.032 -0.270 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.640 2.164 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.892 0.422 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.355 -0.349 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.800 -1.115 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.781 0.222 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.476 1.922 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.886 2.514 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.242 2.849 -6.506 1.00 0.00 H new ATOM 638 N GLN A 42 -5.630 -0.924 -4.265 1.00 0.00 N ATOM 639 CA GLN A 42 -6.841 -1.757 -4.060 1.00 0.00 C ATOM 640 C GLN A 42 -6.430 -3.223 -4.019 1.00 0.00 C ATOM 641 O GLN A 42 -5.333 -3.589 -4.389 1.00 0.00 O ATOM 642 CB GLN A 42 -7.831 -1.477 -5.217 1.00 0.00 C ATOM 643 CG GLN A 42 -8.355 -2.779 -5.861 1.00 0.00 C ATOM 644 CD GLN A 42 -7.222 -3.450 -6.641 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.575 -2.829 -7.461 1.00 0.00 O ATOM 646 NE2 GLN A 42 -6.957 -4.706 -6.410 1.00 0.00 N ATOM 0 H GLN A 42 -4.741 -1.408 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.331 -1.515 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.672 -0.895 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.338 -0.870 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.731 -3.453 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.189 -2.559 -6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.502 -5.224 -5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.204 -5.170 -6.918 1.00 0.00 H new ATOM 655 N TYR A 43 -7.313 -4.058 -3.581 1.00 0.00 N ATOM 656 CA TYR A 43 -7.002 -5.497 -3.522 1.00 0.00 C ATOM 657 C TYR A 43 -8.261 -6.288 -3.860 1.00 0.00 C ATOM 658 O TYR A 43 -9.265 -6.202 -3.178 1.00 0.00 O ATOM 659 CB TYR A 43 -6.543 -5.845 -2.119 1.00 0.00 C ATOM 660 CG TYR A 43 -7.704 -5.667 -1.171 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.240 -4.391 -0.939 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.257 -6.782 -0.541 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.329 -4.240 -0.070 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.347 -6.633 0.323 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.883 -5.364 0.560 1.00 0.00 C ATOM 666 OH TYR A 43 -10.960 -5.217 1.411 1.00 0.00 O ATOM 0 H TYR A 43 -8.246 -3.802 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.214 -5.742 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.181 -6.873 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.712 -5.204 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.814 -3.528 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.842 -7.763 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.741 -3.259 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.775 -7.499 0.807 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.221 -6.094 1.762 1.00 0.00 H new ATOM 676 N LYS A 44 -8.217 -7.059 -4.909 1.00 0.00 N ATOM 677 CA LYS A 44 -9.402 -7.860 -5.286 1.00 0.00 C ATOM 678 C LYS A 44 -9.250 -9.234 -4.643 1.00 0.00 C ATOM 679 O LYS A 44 -8.162 -9.741 -4.504 1.00 0.00 O ATOM 680 CB LYS A 44 -9.497 -7.952 -6.826 1.00 0.00 C ATOM 681 CG LYS A 44 -9.731 -9.394 -7.320 1.00 0.00 C ATOM 682 CD LYS A 44 -11.201 -9.803 -7.124 1.00 0.00 C ATOM 683 CE LYS A 44 -12.129 -8.872 -7.914 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.593 -9.566 -9.150 1.00 0.00 N ATOM 0 H LYS A 44 -7.407 -7.166 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.325 -7.399 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.310 -7.316 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.578 -7.565 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.464 -9.471 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.082 -10.080 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.345 -10.833 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.456 -9.767 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.984 -8.587 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.604 -7.953 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.628 -9.490 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.154 -9.123 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.322 -10.569 -9.108 1.00 0.00 H new ATOM 698 N THR A 45 -10.316 -9.834 -4.232 1.00 0.00 N ATOM 699 CA THR A 45 -10.185 -11.165 -3.588 1.00 0.00 C ATOM 700 C THR A 45 -10.836 -12.237 -4.454 1.00 0.00 C ATOM 701 O THR A 45 -11.912 -12.061 -4.992 1.00 0.00 O ATOM 702 CB THR A 45 -10.867 -11.132 -2.218 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.723 -10.000 -2.146 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.808 -11.044 -1.118 1.00 0.00 C ATOM 0 H THR A 45 -11.266 -9.471 -4.310 1.00 0.00 H new ATOM 0 HA THR A 45 -9.127 -11.401 -3.470 1.00 0.00 H new ATOM 0 HB THR A 45 -11.452 -12.041 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.162 -9.977 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.296 -11.021 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.152 -11.913 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.220 -10.136 -1.251 1.00 0.00 H new ATOM 712 N GLN A 46 -10.183 -13.354 -4.577 1.00 0.00 N ATOM 713 CA GLN A 46 -10.734 -14.470 -5.384 1.00 0.00 C ATOM 714 C GLN A 46 -10.198 -15.776 -4.805 1.00 0.00 C ATOM 715 O GLN A 46 -9.166 -15.796 -4.172 1.00 0.00 O ATOM 716 CB GLN A 46 -10.283 -14.327 -6.842 1.00 0.00 C ATOM 717 CG GLN A 46 -8.759 -14.438 -6.920 1.00 0.00 C ATOM 718 CD GLN A 46 -8.265 -13.804 -8.223 1.00 0.00 C ATOM 719 OE1 GLN A 46 -8.094 -12.605 -8.304 1.00 0.00 O ATOM 720 NE2 GLN A 46 -8.030 -14.568 -9.255 1.00 0.00 N ATOM 0 H GLN A 46 -9.278 -13.543 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.824 -14.459 -5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.746 -15.101 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.609 -13.367 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.303 -13.939 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.458 -15.485 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.174 -15.576 -9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.703 -14.157 -10.129 1.00 0.00 H new ATOM 729 N VAL A 47 -10.881 -16.865 -5.008 1.00 0.00 N ATOM 730 CA VAL A 47 -10.387 -18.158 -4.458 1.00 0.00 C ATOM 731 C VAL A 47 -9.361 -18.742 -5.409 1.00 0.00 C ATOM 732 O VAL A 47 -8.709 -18.027 -6.142 1.00 0.00 O ATOM 733 CB VAL A 47 -11.549 -19.144 -4.282 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.356 -19.929 -2.982 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.881 -18.387 -4.216 1.00 0.00 C ATOM 0 H VAL A 47 -11.757 -16.918 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.931 -17.981 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.565 -19.826 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.181 -20.630 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.416 -20.478 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.334 -19.238 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.698 -19.098 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.867 -17.699 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.027 -17.826 -5.139 1.00 0.00 H new ATOM 745 N VAL A 48 -9.208 -20.034 -5.363 1.00 0.00 N ATOM 746 CA VAL A 48 -8.209 -20.726 -6.224 1.00 0.00 C ATOM 747 C VAL A 48 -8.021 -22.128 -5.657 1.00 0.00 C ATOM 748 O VAL A 48 -8.044 -23.124 -6.350 1.00 0.00 O ATOM 749 CB VAL A 48 -6.874 -19.943 -6.162 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.858 -20.606 -5.222 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.276 -19.839 -7.567 1.00 0.00 C ATOM 0 H VAL A 48 -9.743 -20.652 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.539 -20.779 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.092 -18.950 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.938 -20.022 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.271 -20.652 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.643 -21.615 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.337 -19.288 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.092 -20.839 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.973 -19.316 -8.221 1.00 0.00 H new ATOM 761 N ALA A 49 -7.803 -22.145 -4.379 1.00 0.00 N ATOM 762 CA ALA A 49 -7.552 -23.392 -3.602 1.00 0.00 C ATOM 763 C ALA A 49 -6.552 -22.997 -2.519 1.00 0.00 C ATOM 764 O ALA A 49 -5.532 -23.622 -2.315 1.00 0.00 O ATOM 765 CB ALA A 49 -6.962 -24.487 -4.495 1.00 0.00 C ATOM 0 H ALA A 49 -7.787 -21.300 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.475 -23.794 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.789 -25.385 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.659 -24.713 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.018 -24.143 -4.917 1.00 0.00 H new ATOM 771 N GLY A 50 -6.851 -21.912 -1.861 1.00 0.00 N ATOM 772 CA GLY A 50 -5.970 -21.349 -0.805 1.00 0.00 C ATOM 773 C GLY A 50 -6.376 -19.882 -0.635 1.00 0.00 C ATOM 774 O GLY A 50 -6.241 -19.307 0.427 1.00 0.00 O ATOM 0 H GLY A 50 -7.703 -21.374 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.089 -21.895 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.921 -21.430 -1.091 1.00 0.00 H new ATOM 778 N THR A 51 -6.902 -19.305 -1.702 1.00 0.00 N ATOM 779 CA THR A 51 -7.391 -17.893 -1.711 1.00 0.00 C ATOM 780 C THR A 51 -6.386 -16.963 -2.392 1.00 0.00 C ATOM 781 O THR A 51 -5.389 -16.574 -1.815 1.00 0.00 O ATOM 782 CB THR A 51 -7.644 -17.405 -0.296 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.375 -18.390 0.422 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.442 -16.103 -0.345 1.00 0.00 C ATOM 0 H THR A 51 -7.012 -19.782 -2.597 1.00 0.00 H new ATOM 0 HA THR A 51 -8.324 -17.876 -2.274 1.00 0.00 H new ATOM 0 HB THR A 51 -6.693 -17.228 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.772 -18.865 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.625 -15.750 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.877 -15.350 -0.894 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.394 -16.279 -0.846 1.00 0.00 H new ATOM 792 N ASN A 52 -6.655 -16.593 -3.618 1.00 0.00 N ATOM 793 CA ASN A 52 -5.737 -15.671 -4.347 1.00 0.00 C ATOM 794 C ASN A 52 -6.005 -14.218 -3.926 1.00 0.00 C ATOM 795 O ASN A 52 -7.063 -13.895 -3.423 1.00 0.00 O ATOM 796 CB ASN A 52 -6.011 -15.787 -5.843 1.00 0.00 C ATOM 797 CG ASN A 52 -4.693 -15.948 -6.599 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.337 -15.112 -7.404 1.00 0.00 O ATOM 799 ND2 ASN A 52 -3.952 -16.998 -6.374 1.00 0.00 N ATOM 0 H ASN A 52 -7.475 -16.892 -4.146 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.706 -15.938 -4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.660 -16.641 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.537 -14.900 -6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.072 -17.118 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.253 -17.699 -5.697 1.00 0.00 H new ATOM 806 N TYR A 53 -5.066 -13.337 -4.158 1.00 0.00 N ATOM 807 CA TYR A 53 -5.277 -11.899 -3.807 1.00 0.00 C ATOM 808 C TYR A 53 -4.603 -11.018 -4.859 1.00 0.00 C ATOM 809 O TYR A 53 -3.468 -11.230 -5.238 1.00 0.00 O ATOM 810 CB TYR A 53 -4.684 -11.575 -2.431 1.00 0.00 C ATOM 811 CG TYR A 53 -5.159 -12.571 -1.401 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.529 -12.754 -1.181 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.227 -13.300 -0.651 1.00 0.00 C ATOM 814 CE1 TYR A 53 -6.967 -13.669 -0.215 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.664 -14.212 0.316 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.034 -14.397 0.534 1.00 0.00 C ATOM 817 OH TYR A 53 -6.464 -15.293 1.490 1.00 0.00 O ATOM 0 H TYR A 53 -4.161 -13.551 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.349 -11.706 -3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.595 -11.591 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.974 -10.568 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.248 -12.190 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.170 -13.158 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.024 -13.813 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.944 -14.773 0.894 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.688 -15.714 1.916 1.00 0.00 H new ATOM 827 N TYR A 54 -5.306 -10.029 -5.327 1.00 0.00 N ATOM 828 CA TYR A 54 -4.743 -9.109 -6.356 1.00 0.00 C ATOM 829 C TYR A 54 -4.521 -7.735 -5.718 1.00 0.00 C ATOM 830 O TYR A 54 -5.397 -6.900 -5.732 1.00 0.00 O ATOM 831 CB TYR A 54 -5.759 -8.979 -7.491 1.00 0.00 C ATOM 832 CG TYR A 54 -5.103 -9.311 -8.811 1.00 0.00 C ATOM 833 CD1 TYR A 54 -3.816 -8.840 -9.093 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.785 -10.091 -9.754 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.210 -9.148 -10.318 1.00 0.00 C ATOM 836 CE2 TYR A 54 -5.180 -10.400 -10.977 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.893 -9.929 -11.260 1.00 0.00 C ATOM 838 OH TYR A 54 -3.296 -10.234 -12.467 1.00 0.00 O ATOM 0 H TYR A 54 -6.260 -9.814 -5.038 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.798 -9.494 -6.740 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.601 -9.649 -7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.158 -7.965 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.290 -8.239 -8.366 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.779 -10.454 -9.537 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.217 -8.784 -10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.706 -11.002 -11.703 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.905 -10.784 -13.003 1.00 0.00 H new ATOM 848 N ILE A 55 -3.379 -7.490 -5.133 1.00 0.00 N ATOM 849 CA ILE A 55 -3.178 -6.169 -4.478 1.00 0.00 C ATOM 850 C ILE A 55 -2.440 -5.207 -5.399 1.00 0.00 C ATOM 851 O ILE A 55 -1.231 -5.106 -5.375 1.00 0.00 O ATOM 852 CB ILE A 55 -2.376 -6.364 -3.187 1.00 0.00 C ATOM 853 CG1 ILE A 55 -3.270 -6.980 -2.101 1.00 0.00 C ATOM 854 CG2 ILE A 55 -1.861 -5.011 -2.694 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.140 -8.087 -2.699 1.00 0.00 C ATOM 0 H ILE A 55 -2.591 -8.135 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.154 -5.741 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.538 -7.030 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.653 -7.385 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.902 -6.209 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.291 -5.151 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.220 -4.567 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.705 -4.349 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.769 -8.516 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.769 -7.670 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.502 -8.864 -3.119 1.00 0.00 H new ATOM 867 N LYS A 56 -3.170 -4.456 -6.164 1.00 0.00 N ATOM 868 CA LYS A 56 -2.531 -3.452 -7.035 1.00 0.00 C ATOM 869 C LYS A 56 -2.178 -2.274 -6.128 1.00 0.00 C ATOM 870 O LYS A 56 -3.051 -1.605 -5.617 1.00 0.00 O ATOM 871 CB LYS A 56 -3.529 -3.013 -8.103 1.00 0.00 C ATOM 872 CG LYS A 56 -2.830 -2.094 -9.108 1.00 0.00 C ATOM 873 CD LYS A 56 -3.636 -2.044 -10.407 1.00 0.00 C ATOM 874 CE LYS A 56 -2.746 -1.527 -11.541 1.00 0.00 C ATOM 875 NZ LYS A 56 -2.409 -2.652 -12.460 1.00 0.00 N ATOM 0 H LYS A 56 -4.188 -4.497 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.645 -3.843 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.938 -3.885 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.368 -2.493 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.731 -1.092 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.822 -2.457 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.014 -3.037 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.502 -1.394 -10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.259 -0.737 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.834 -1.091 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.686 -2.340 -13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.042 -3.453 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.263 -2.948 -12.974 1.00 0.00 H new ATOM 889 N VAL A 57 -0.925 -2.031 -5.871 1.00 0.00 N ATOM 890 CA VAL A 57 -0.597 -0.914 -4.939 1.00 0.00 C ATOM 891 C VAL A 57 -0.568 0.424 -5.688 1.00 0.00 C ATOM 892 O VAL A 57 -0.204 0.509 -6.843 1.00 0.00 O ATOM 893 CB VAL A 57 0.734 -1.174 -4.192 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.511 -2.316 -4.833 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.596 0.089 -4.177 1.00 0.00 C ATOM 0 H VAL A 57 -0.130 -2.542 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.383 -0.861 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 57 0.488 -1.454 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.441 -2.475 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.912 -3.226 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.737 -2.065 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.527 -0.112 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.818 0.390 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.058 0.891 -3.672 1.00 0.00 H new ATOM 905 N ARG A 58 -0.962 1.464 -5.009 1.00 0.00 N ATOM 906 CA ARG A 58 -0.988 2.824 -5.615 1.00 0.00 C ATOM 907 C ARG A 58 0.289 3.580 -5.248 1.00 0.00 C ATOM 908 O ARG A 58 0.736 3.543 -4.116 1.00 0.00 O ATOM 909 CB ARG A 58 -2.225 3.567 -5.057 1.00 0.00 C ATOM 910 CG ARG A 58 -1.874 4.908 -4.376 1.00 0.00 C ATOM 911 CD ARG A 58 -2.692 5.072 -3.095 1.00 0.00 C ATOM 912 NE ARG A 58 -4.076 4.592 -3.333 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.083 5.162 -2.731 1.00 0.00 C ATOM 914 NH1 ARG A 58 -5.232 5.026 -1.442 1.00 0.00 N ATOM 915 NH2 ARG A 58 -5.940 5.867 -3.416 1.00 0.00 N ATOM 0 H ARG A 58 -1.274 1.428 -4.039 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.045 2.758 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.927 3.753 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.733 2.924 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.809 4.940 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.078 5.735 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.234 4.508 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.705 6.118 -2.789 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.241 3.813 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.562 4.475 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.019 5.471 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.823 5.973 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.727 6.312 -2.944 1.00 0.00 H new ATOM 929 N ALA A 59 0.844 4.320 -6.160 1.00 0.00 N ATOM 930 CA ALA A 59 2.038 5.115 -5.805 1.00 0.00 C ATOM 931 C ALA A 59 1.861 6.524 -6.355 1.00 0.00 C ATOM 932 O ALA A 59 2.814 7.227 -6.592 1.00 0.00 O ATOM 933 CB ALA A 59 3.297 4.481 -6.383 1.00 0.00 C ATOM 0 H ALA A 59 0.525 4.407 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 59 2.146 5.147 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.165 5.081 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.413 3.473 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.215 4.434 -7.469 1.00 0.00 H new ATOM 939 N GLY A 60 0.645 6.957 -6.542 1.00 0.00 N ATOM 940 CA GLY A 60 0.437 8.341 -7.056 1.00 0.00 C ATOM 941 C GLY A 60 -0.280 8.288 -8.408 1.00 0.00 C ATOM 942 O GLY A 60 -1.021 7.367 -8.692 1.00 0.00 O ATOM 0 H GLY A 60 -0.204 6.421 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.152 8.919 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.396 8.848 -7.162 1.00 0.00 H new ATOM 946 N ASP A 61 -0.068 9.270 -9.241 1.00 0.00 N ATOM 947 CA ASP A 61 -0.741 9.279 -10.571 1.00 0.00 C ATOM 948 C ASP A 61 0.233 8.794 -11.651 1.00 0.00 C ATOM 949 O ASP A 61 -0.171 8.276 -12.674 1.00 0.00 O ATOM 950 CB ASP A 61 -1.197 10.703 -10.895 1.00 0.00 C ATOM 951 CG ASP A 61 -2.202 10.671 -12.049 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.731 9.606 -12.318 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.424 11.714 -12.643 1.00 0.00 O ATOM 0 H ASP A 61 0.542 10.067 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.604 8.613 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.652 11.159 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.338 11.318 -11.164 1.00 0.00 H new ATOM 958 N ASN A 62 1.510 8.956 -11.436 1.00 0.00 N ATOM 959 CA ASN A 62 2.500 8.506 -12.450 1.00 0.00 C ATOM 960 C ASN A 62 3.205 7.238 -11.959 1.00 0.00 C ATOM 961 O ASN A 62 3.807 6.516 -12.724 1.00 0.00 O ATOM 962 CB ASN A 62 3.536 9.609 -12.695 1.00 0.00 C ATOM 963 CG ASN A 62 3.696 10.463 -11.435 1.00 0.00 C ATOM 964 OD1 ASN A 62 3.359 11.630 -11.430 1.00 0.00 O ATOM 965 ND2 ASN A 62 4.199 9.926 -10.358 1.00 0.00 N ATOM 0 H ASN A 62 1.909 9.382 -10.599 1.00 0.00 H new ATOM 0 HA ASN A 62 1.979 8.291 -13.383 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.494 9.166 -12.969 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.223 10.234 -13.531 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.309 10.486 -9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.482 8.946 -10.361 1.00 0.00 H new ATOM 972 N LYS A 63 3.130 6.966 -10.685 1.00 0.00 N ATOM 973 CA LYS A 63 3.788 5.747 -10.136 1.00 0.00 C ATOM 974 C LYS A 63 2.702 4.711 -9.800 1.00 0.00 C ATOM 975 O LYS A 63 1.606 5.056 -9.387 1.00 0.00 O ATOM 976 CB LYS A 63 4.574 6.140 -8.885 1.00 0.00 C ATOM 977 CG LYS A 63 5.727 7.063 -9.277 1.00 0.00 C ATOM 978 CD LYS A 63 5.811 8.212 -8.276 1.00 0.00 C ATOM 979 CE LYS A 63 7.220 8.806 -8.292 1.00 0.00 C ATOM 980 NZ LYS A 63 7.280 9.915 -9.284 1.00 0.00 N ATOM 0 H LYS A 63 2.639 7.538 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 63 4.475 5.311 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.918 6.642 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.960 5.249 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.665 6.508 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.572 7.452 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.079 8.980 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.568 7.854 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.481 9.176 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.948 8.036 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.238 10.319 -9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.048 9.548 -10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.596 10.653 -9.021 1.00 0.00 H new ATOM 994 N TYR A 64 2.975 3.444 -9.989 1.00 0.00 N ATOM 995 CA TYR A 64 1.936 2.422 -9.712 1.00 0.00 C ATOM 996 C TYR A 64 2.609 1.078 -9.461 1.00 0.00 C ATOM 997 O TYR A 64 3.398 0.612 -10.259 1.00 0.00 O ATOM 998 CB TYR A 64 1.031 2.308 -10.942 1.00 0.00 C ATOM 999 CG TYR A 64 -0.402 2.578 -10.560 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.843 3.896 -10.383 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.295 1.513 -10.393 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.177 4.146 -10.042 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.629 1.764 -10.049 1.00 0.00 C ATOM 1004 CZ TYR A 64 -3.069 3.080 -9.873 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.384 3.331 -9.538 1.00 0.00 O ATOM 0 H TYR A 64 3.868 3.081 -10.321 1.00 0.00 H new ATOM 0 HA TYR A 64 1.352 2.706 -8.837 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.351 3.017 -11.705 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.118 1.312 -11.376 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.154 4.718 -10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.955 0.497 -10.530 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.519 5.162 -9.909 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.318 0.942 -9.920 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.920 2.525 -9.692 1.00 0.00 H new ATOM 1015 N LEU A 65 2.306 0.446 -8.369 1.00 0.00 N ATOM 1016 CA LEU A 65 2.941 -0.864 -8.090 1.00 0.00 C ATOM 1017 C LEU A 65 1.894 -1.958 -8.134 1.00 0.00 C ATOM 1018 O LEU A 65 0.748 -1.723 -8.463 1.00 0.00 O ATOM 1019 CB LEU A 65 3.603 -0.835 -6.723 1.00 0.00 C ATOM 1020 CG LEU A 65 4.508 0.403 -6.648 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.717 1.586 -6.097 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.698 0.145 -5.718 1.00 0.00 C ATOM 0 H LEU A 65 1.650 0.777 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 65 3.699 -1.064 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.848 -0.801 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.187 -1.742 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 65 4.870 0.621 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.362 2.463 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.872 1.796 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.351 1.346 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.328 1.034 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.334 -0.087 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.280 -0.695 -6.096 1.00 0.00 H new ATOM 1034 N HIS A 66 2.268 -3.162 -7.814 1.00 0.00 N ATOM 1035 CA HIS A 66 1.275 -4.244 -7.867 1.00 0.00 C ATOM 1036 C HIS A 66 1.806 -5.507 -7.192 1.00 0.00 C ATOM 1037 O HIS A 66 2.994 -5.747 -7.117 1.00 0.00 O ATOM 1038 CB HIS A 66 0.977 -4.526 -9.327 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.366 -5.158 -9.430 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.401 -4.559 -10.113 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.871 -6.320 -8.914 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.472 -5.351 -9.987 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.207 -6.442 -9.267 1.00 0.00 N ATOM 0 H HIS A 66 3.207 -3.433 -7.523 1.00 0.00 H new ATOM 0 HA HIS A 66 0.372 -3.942 -7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.004 -3.601 -9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.737 -5.185 -9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.315 -7.033 -8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.438 -5.132 -10.418 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.846 -7.200 -9.028 1.00 0.00 H new ATOM 1051 N LEU A 67 0.910 -6.309 -6.696 1.00 0.00 N ATOM 1052 CA LEU A 67 1.296 -7.567 -6.007 1.00 0.00 C ATOM 1053 C LEU A 67 0.157 -8.558 -6.114 1.00 0.00 C ATOM 1054 O LEU A 67 -0.989 -8.204 -6.289 1.00 0.00 O ATOM 1055 CB LEU A 67 1.490 -7.283 -4.528 1.00 0.00 C ATOM 1056 CG LEU A 67 1.623 -8.601 -3.755 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.894 -9.324 -4.176 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.701 -8.282 -2.265 1.00 0.00 C ATOM 0 H LEU A 67 -0.095 -6.141 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 67 2.207 -7.958 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.381 -6.673 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.645 -6.711 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 67 0.764 -9.238 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.981 -10.259 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.855 -9.537 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.758 -8.695 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.796 -9.209 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.568 -7.649 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.795 -7.760 -1.957 1.00 0.00 H new ATOM 1070 N LYS A 68 0.469 -9.792 -5.936 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.548 -10.831 -5.935 1.00 0.00 C ATOM 1072 C LYS A 68 -0.345 -11.580 -4.660 1.00 0.00 C ATOM 1073 O LYS A 68 0.514 -12.443 -4.601 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.272 -11.794 -7.036 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.523 -12.591 -7.369 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.646 -13.719 -6.348 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.379 -15.076 -7.006 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.967 -15.106 -8.375 1.00 0.00 N ATOM 0 H LYS A 68 1.421 -10.128 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.546 -10.407 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.071 -11.257 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.531 -12.471 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.404 -11.950 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.460 -12.996 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.939 -13.558 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.644 -13.712 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.306 -15.258 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.808 -15.874 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.072 -16.093 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.900 -14.646 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.340 -14.600 -9.033 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.069 -11.281 -3.639 1.00 0.00 N ATOM 1093 CA VAL A 69 -0.824 -12.028 -2.407 1.00 0.00 C ATOM 1094 C VAL A 69 -1.567 -13.359 -2.497 1.00 0.00 C ATOM 1095 O VAL A 69 -2.726 -13.412 -2.853 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.292 -11.234 -1.185 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -0.857 -11.960 0.088 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.669 -9.836 -1.213 1.00 0.00 C ATOM 0 H VAL A 69 -1.800 -10.571 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 69 0.245 -12.204 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.378 -11.146 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.189 -11.396 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.301 -12.955 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.229 -12.047 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.003 -9.271 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.418 -9.921 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.977 -9.318 -2.121 1.00 0.00 H new ATOM 1108 N PHE A 70 -0.907 -14.438 -2.212 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.586 -15.754 -2.320 1.00 0.00 C ATOM 1110 C PHE A 70 -1.274 -16.604 -1.097 1.00 0.00 C ATOM 1111 O PHE A 70 -0.186 -16.568 -0.576 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.065 -16.457 -3.573 1.00 0.00 C ATOM 1113 CG PHE A 70 -1.716 -17.813 -3.710 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.039 -17.990 -3.305 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.000 -18.884 -4.255 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.655 -19.240 -3.447 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -1.612 -20.137 -4.393 1.00 0.00 C ATOM 1118 CZ PHE A 70 -2.941 -20.313 -3.992 1.00 0.00 C ATOM 0 H PHE A 70 0.067 -14.469 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.665 -15.612 -2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.276 -15.852 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.018 -16.568 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.589 -17.163 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.024 -18.745 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.680 -19.376 -3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.058 -20.966 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.416 -21.277 -4.103 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.218 -17.382 -0.646 1.00 0.00 N ATOM 1129 CA LYS A 71 -1.969 -18.263 0.528 1.00 0.00 C ATOM 1130 C LYS A 71 -2.199 -19.705 0.082 1.00 0.00 C ATOM 1131 O LYS A 71 -3.110 -20.369 0.535 1.00 0.00 O ATOM 1132 CB LYS A 71 -2.937 -17.912 1.659 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.293 -16.880 2.585 1.00 0.00 C ATOM 1134 CD LYS A 71 -2.873 -17.028 3.994 1.00 0.00 C ATOM 1135 CE LYS A 71 -2.642 -15.738 4.782 1.00 0.00 C ATOM 1136 NZ LYS A 71 -3.846 -14.868 4.675 1.00 0.00 N ATOM 0 H LYS A 71 -3.156 -17.445 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.951 -18.131 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.865 -17.516 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.195 -18.809 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.212 -17.020 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.476 -15.873 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.940 -17.246 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.403 -17.868 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.439 -15.969 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.767 -15.215 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.689 -13.991 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.020 -14.637 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.671 -15.368 5.063 1.00 0.00 H new ATOM 1150 N SER A 72 -1.388 -20.174 -0.831 1.00 0.00 N ATOM 1151 CA SER A 72 -1.542 -21.559 -1.360 1.00 0.00 C ATOM 1152 C SER A 72 -2.020 -22.509 -0.261 1.00 0.00 C ATOM 1153 O SER A 72 -1.347 -22.740 0.725 1.00 0.00 O ATOM 1154 CB SER A 72 -0.204 -22.046 -1.913 1.00 0.00 C ATOM 1155 OG SER A 72 0.765 -21.016 -1.772 1.00 0.00 O ATOM 0 H SER A 72 -0.615 -19.647 -1.237 1.00 0.00 H new ATOM 0 HA SER A 72 -2.287 -21.547 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.119 -22.940 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.309 -22.321 -2.963 1.00 0.00 H new ATOM 0 HG SER A 72 1.572 -21.381 -1.353 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.180 -23.067 -0.446 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.741 -24.018 0.548 1.00 0.00 C ATOM 1163 C LEU A 73 -4.858 -24.812 -0.138 1.00 0.00 C ATOM 1164 O LEU A 73 -6.006 -24.732 0.246 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.290 -23.237 1.744 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.164 -24.151 2.598 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.722 -24.063 4.062 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.619 -23.702 2.474 1.00 0.00 C ATOM 0 H LEU A 73 -3.774 -22.901 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.973 -24.702 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.468 -22.842 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.871 -22.383 1.397 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.065 -25.181 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.347 -24.716 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.681 -24.374 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.823 -23.035 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.252 -24.349 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.713 -22.673 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.931 -23.763 1.431 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.481 -25.540 -1.162 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.424 -26.348 -1.954 1.00 0.00 C ATOM 1182 C PRO A 74 -5.726 -27.681 -1.255 1.00 0.00 C ATOM 1183 O PRO A 74 -5.678 -28.732 -1.862 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.669 -26.585 -3.265 1.00 0.00 C ATOM 1185 CG PRO A 74 -3.165 -26.427 -2.939 1.00 0.00 C ATOM 1186 CD PRO A 74 -3.080 -25.620 -1.631 1.00 0.00 C ATOM 0 HA PRO A 74 -6.388 -25.860 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.878 -27.579 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.979 -25.869 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.689 -27.401 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.646 -25.911 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.442 -26.115 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.660 -24.629 -1.801 1.00 0.00 H new ATOM 1194 N GLY A 75 -6.044 -27.648 0.010 1.00 0.00 N ATOM 1195 CA GLY A 75 -6.356 -28.915 0.732 1.00 0.00 C ATOM 1196 C GLY A 75 -5.069 -29.530 1.290 1.00 0.00 C ATOM 1197 O GLY A 75 -5.034 -30.013 2.405 1.00 0.00 O ATOM 0 H GLY A 75 -6.101 -26.800 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.056 -28.718 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.842 -29.619 0.056 1.00 0.00 H new ATOM 1201 N GLN A 76 -4.013 -29.523 0.522 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.734 -30.113 1.010 1.00 0.00 C ATOM 1203 C GLN A 76 -1.901 -29.036 1.711 1.00 0.00 C ATOM 1204 O GLN A 76 -0.859 -29.313 2.270 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.943 -30.674 -0.175 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.880 -31.649 0.335 1.00 0.00 C ATOM 1207 CD GLN A 76 -0.717 -32.797 -0.663 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -1.418 -33.787 -0.589 1.00 0.00 O ATOM 1209 NE2 GLN A 76 0.185 -32.705 -1.602 1.00 0.00 N ATOM 0 H GLN A 76 -3.981 -29.135 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.956 -30.915 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.615 -31.182 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.471 -29.862 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.070 -31.131 0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.169 -32.040 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.773 -31.874 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.301 -33.464 -2.273 1.00 0.00 H new ATOM 1218 N ASN A 77 -2.351 -27.811 1.688 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.579 -26.724 2.353 1.00 0.00 C ATOM 1220 C ASN A 77 -0.156 -26.690 1.793 1.00 0.00 C ATOM 1221 O ASN A 77 0.749 -27.295 2.333 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.529 -26.985 3.860 1.00 0.00 C ATOM 1223 CG ASN A 77 -0.503 -26.051 4.505 1.00 0.00 C ATOM 1224 OD1 ASN A 77 0.414 -26.499 5.164 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -0.619 -24.762 4.341 1.00 0.00 N ATOM 0 H ASN A 77 -3.218 -27.517 1.238 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.064 -25.766 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.512 -26.822 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.262 -28.024 4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.060 -24.131 4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.389 -24.386 3.788 1.00 0.00 H new ATOM 1232 N GLU A 78 0.050 -25.987 0.713 1.00 0.00 N ATOM 1233 CA GLU A 78 1.417 -25.914 0.119 1.00 0.00 C ATOM 1234 C GLU A 78 1.995 -24.516 0.348 1.00 0.00 C ATOM 1235 O GLU A 78 2.340 -23.814 -0.583 1.00 0.00 O ATOM 1236 CB GLU A 78 1.335 -26.192 -1.383 1.00 0.00 C ATOM 1237 CG GLU A 78 0.923 -27.649 -1.606 1.00 0.00 C ATOM 1238 CD GLU A 78 2.169 -28.537 -1.607 1.00 0.00 C ATOM 1239 OE1 GLU A 78 3.137 -28.166 -2.248 1.00 0.00 O ATOM 1240 OE2 GLU A 78 2.131 -29.576 -0.966 1.00 0.00 O ATOM 0 H GLU A 78 -0.668 -25.460 0.216 1.00 0.00 H new ATOM 0 HA GLU A 78 2.060 -26.657 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.613 -25.522 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.299 -25.999 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.237 -27.968 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.393 -27.747 -2.553 1.00 0.00 H new ATOM 1247 N ASP A 79 2.106 -24.106 1.582 1.00 0.00 N ATOM 1248 CA ASP A 79 2.662 -22.756 1.876 1.00 0.00 C ATOM 1249 C ASP A 79 1.905 -21.704 1.063 1.00 0.00 C ATOM 1250 O ASP A 79 0.972 -22.011 0.350 1.00 0.00 O ATOM 1251 CB ASP A 79 4.147 -22.721 1.501 1.00 0.00 C ATOM 1252 CG ASP A 79 4.879 -21.729 2.406 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.070 -22.048 3.569 1.00 0.00 O ATOM 1254 OD2 ASP A 79 5.239 -20.669 1.922 1.00 0.00 O ATOM 0 H ASP A 79 1.835 -24.650 2.401 1.00 0.00 H new ATOM 0 HA ASP A 79 2.552 -22.542 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.583 -23.715 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.262 -22.430 0.457 1.00 0.00 H new ATOM 1259 N LEU A 80 2.295 -20.464 1.172 1.00 0.00 N ATOM 1260 CA LEU A 80 1.596 -19.385 0.413 1.00 0.00 C ATOM 1261 C LEU A 80 2.316 -19.120 -0.907 1.00 0.00 C ATOM 1262 O LEU A 80 2.993 -19.978 -1.436 1.00 0.00 O ATOM 1263 CB LEU A 80 1.488 -18.124 1.312 1.00 0.00 C ATOM 1264 CG LEU A 80 2.756 -17.244 1.351 1.00 0.00 C ATOM 1265 CD1 LEU A 80 3.956 -17.911 0.691 1.00 0.00 C ATOM 1266 CD2 LEU A 80 2.458 -15.934 0.631 1.00 0.00 C ATOM 0 H LEU A 80 3.070 -20.149 1.756 1.00 0.00 H new ATOM 0 HA LEU A 80 0.583 -19.691 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.653 -17.517 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.250 -18.439 2.328 1.00 0.00 H new ATOM 0 HG LEU A 80 3.013 -17.077 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.818 -17.247 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.182 -18.845 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.727 -18.120 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.344 -15.299 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.181 -16.142 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.635 -15.423 1.131 1.00 0.00 H new ATOM 1278 N VAL A 81 2.175 -17.949 -1.438 1.00 0.00 N ATOM 1279 CA VAL A 81 2.843 -17.631 -2.721 1.00 0.00 C ATOM 1280 C VAL A 81 2.497 -16.194 -3.110 1.00 0.00 C ATOM 1281 O VAL A 81 1.571 -15.609 -2.591 1.00 0.00 O ATOM 1282 CB VAL A 81 2.336 -18.631 -3.768 1.00 0.00 C ATOM 1283 CG1 VAL A 81 2.104 -17.944 -5.122 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.372 -19.744 -3.948 1.00 0.00 C ATOM 0 H VAL A 81 1.622 -17.191 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 81 3.927 -17.710 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 81 1.389 -19.043 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.745 -18.677 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.362 -17.154 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.040 -17.513 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.015 -20.457 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.315 -19.312 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.524 -20.256 -2.998 1.00 0.00 H new ATOM 1294 N LEU A 82 3.224 -15.622 -4.023 1.00 0.00 N ATOM 1295 CA LEU A 82 2.916 -14.243 -4.450 1.00 0.00 C ATOM 1296 C LEU A 82 3.235 -14.102 -5.919 1.00 0.00 C ATOM 1297 O LEU A 82 4.195 -13.466 -6.303 1.00 0.00 O ATOM 1298 CB LEU A 82 3.733 -13.229 -3.665 1.00 0.00 C ATOM 1299 CG LEU A 82 2.834 -12.607 -2.613 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.697 -13.555 -1.421 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.433 -11.282 -2.146 1.00 0.00 C ATOM 0 H LEU A 82 4.020 -16.055 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 82 1.859 -14.051 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.589 -13.713 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.127 -12.461 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 82 1.849 -12.428 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.050 -13.103 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.262 -14.498 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.680 -13.741 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.786 -10.836 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.420 -11.459 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.521 -10.603 -2.994 1.00 0.00 H new ATOM 1313 N THR A 83 2.422 -14.670 -6.746 1.00 0.00 N ATOM 1314 CA THR A 83 2.659 -14.551 -8.200 1.00 0.00 C ATOM 1315 C THR A 83 2.659 -13.071 -8.597 1.00 0.00 C ATOM 1316 O THR A 83 2.922 -12.738 -9.736 1.00 0.00 O ATOM 1317 CB THR A 83 1.563 -15.284 -8.961 1.00 0.00 C ATOM 1318 OG1 THR A 83 1.074 -16.358 -8.172 1.00 0.00 O ATOM 1319 CG2 THR A 83 2.129 -15.827 -10.275 1.00 0.00 C ATOM 0 H THR A 83 1.601 -15.213 -6.480 1.00 0.00 H new ATOM 0 HA THR A 83 3.624 -14.994 -8.446 1.00 0.00 H new ATOM 0 HB THR A 83 0.747 -14.594 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.367 -16.828 -8.662 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.344 -16.352 -10.820 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.500 -15.000 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.946 -16.516 -10.062 1.00 0.00 H new ATOM 1327 N GLY A 84 2.370 -12.164 -7.684 1.00 0.00 N ATOM 1328 CA GLY A 84 2.376 -10.730 -8.077 1.00 0.00 C ATOM 1329 C GLY A 84 3.476 -10.004 -7.325 1.00 0.00 C ATOM 1330 O GLY A 84 3.881 -10.406 -6.255 1.00 0.00 O ATOM 0 H GLY A 84 2.137 -12.357 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.533 -10.637 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.410 -10.277 -7.856 1.00 0.00 H new ATOM 1334 N TYR A 85 3.952 -8.931 -7.878 1.00 0.00 N ATOM 1335 CA TYR A 85 5.019 -8.152 -7.207 1.00 0.00 C ATOM 1336 C TYR A 85 5.576 -7.142 -8.208 1.00 0.00 C ATOM 1337 O TYR A 85 6.050 -7.506 -9.264 1.00 0.00 O ATOM 1338 CB TYR A 85 6.138 -9.090 -6.735 1.00 0.00 C ATOM 1339 CG TYR A 85 6.508 -10.054 -7.841 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.376 -9.649 -8.862 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.987 -11.355 -7.844 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.722 -10.541 -9.884 1.00 0.00 C ATOM 1343 CE2 TYR A 85 6.333 -12.246 -8.865 1.00 0.00 C ATOM 1344 CZ TYR A 85 7.200 -11.839 -9.886 1.00 0.00 C ATOM 1345 OH TYR A 85 7.541 -12.720 -10.895 1.00 0.00 O ATOM 0 H TYR A 85 3.644 -8.557 -8.775 1.00 0.00 H new ATOM 0 HA TYR A 85 4.613 -7.635 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.012 -8.508 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.813 -9.643 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.779 -8.647 -8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.318 -11.670 -7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.392 -10.227 -10.671 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.931 -13.248 -8.866 1.00 0.00 H new ATOM 0 HH TYR A 85 7.093 -13.579 -10.745 1.00 0.00 H new ATOM 1355 N GLN A 86 5.515 -5.874 -7.905 1.00 0.00 N ATOM 1356 CA GLN A 86 6.043 -4.880 -8.892 1.00 0.00 C ATOM 1357 C GLN A 86 6.293 -3.519 -8.236 1.00 0.00 C ATOM 1358 O GLN A 86 5.700 -3.175 -7.232 1.00 0.00 O ATOM 1359 CB GLN A 86 5.030 -4.713 -10.027 1.00 0.00 C ATOM 1360 CG GLN A 86 5.550 -5.412 -11.284 1.00 0.00 C ATOM 1361 CD GLN A 86 6.785 -4.674 -11.803 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.830 -5.268 -11.985 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.711 -3.394 -12.049 1.00 0.00 N ATOM 0 H GLN A 86 5.134 -5.487 -7.042 1.00 0.00 H new ATOM 0 HA GLN A 86 6.992 -5.252 -9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.068 -5.135 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.865 -3.655 -10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.800 -6.449 -11.059 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.775 -5.430 -12.050 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.834 -2.895 -11.896 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.530 -2.893 -12.394 1.00 0.00 H new ATOM 1372 N VAL A 87 7.169 -2.740 -8.823 1.00 0.00 N ATOM 1373 CA VAL A 87 7.479 -1.387 -8.274 1.00 0.00 C ATOM 1374 C VAL A 87 6.597 -0.347 -8.974 1.00 0.00 C ATOM 1375 O VAL A 87 5.560 -0.673 -9.509 1.00 0.00 O ATOM 1376 CB VAL A 87 8.961 -1.072 -8.516 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.173 -0.599 -9.958 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.411 0.022 -7.548 1.00 0.00 C ATOM 0 H VAL A 87 7.686 -2.988 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 87 7.280 -1.362 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 87 9.549 -1.975 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.229 -0.379 -10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.858 -1.382 -10.648 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.584 0.300 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.464 0.248 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.816 0.920 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.274 -0.321 -6.522 1.00 0.00 H new ATOM 1388 N ASP A 88 6.986 0.902 -8.981 1.00 0.00 N ATOM 1389 CA ASP A 88 6.140 1.919 -9.643 1.00 0.00 C ATOM 1390 C ASP A 88 6.930 2.680 -10.720 1.00 0.00 C ATOM 1391 O ASP A 88 7.481 2.083 -11.623 1.00 0.00 O ATOM 1392 CB ASP A 88 5.598 2.894 -8.595 1.00 0.00 C ATOM 1393 CG ASP A 88 6.759 3.502 -7.805 1.00 0.00 C ATOM 1394 OD1 ASP A 88 7.890 3.331 -8.228 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.495 4.126 -6.791 1.00 0.00 O ATOM 0 H ASP A 88 7.846 1.252 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 88 5.308 1.414 -10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.024 3.683 -9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.918 2.375 -7.919 1.00 0.00 H new ATOM 1400 N LYS A 89 6.959 3.997 -10.648 1.00 0.00 N ATOM 1401 CA LYS A 89 7.675 4.808 -11.675 1.00 0.00 C ATOM 1402 C LYS A 89 6.724 5.057 -12.847 1.00 0.00 C ATOM 1403 O LYS A 89 6.425 6.185 -13.185 1.00 0.00 O ATOM 1404 CB LYS A 89 8.927 4.076 -12.167 1.00 0.00 C ATOM 1405 CG LYS A 89 10.080 5.073 -12.306 1.00 0.00 C ATOM 1406 CD LYS A 89 11.290 4.372 -12.925 1.00 0.00 C ATOM 1407 CE LYS A 89 12.325 4.087 -11.834 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.696 4.235 -12.399 1.00 0.00 N ATOM 0 H LYS A 89 6.510 4.542 -9.912 1.00 0.00 H new ATOM 0 HA LYS A 89 7.988 5.755 -11.235 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.198 3.286 -11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.728 3.598 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.775 5.913 -12.930 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.343 5.480 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.981 3.441 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.728 4.997 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.188 4.774 -10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.188 3.079 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.400 4.041 -11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.823 3.562 -13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.823 5.205 -12.752 1.00 0.00 H new ATOM 1422 N ASN A 90 6.234 4.005 -13.451 1.00 0.00 N ATOM 1423 CA ASN A 90 5.281 4.150 -14.593 1.00 0.00 C ATOM 1424 C ASN A 90 5.330 2.885 -15.449 1.00 0.00 C ATOM 1425 O ASN A 90 5.270 2.939 -16.660 1.00 0.00 O ATOM 1426 CB ASN A 90 5.665 5.357 -15.453 1.00 0.00 C ATOM 1427 CG ASN A 90 7.187 5.414 -15.604 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.824 6.324 -15.109 1.00 0.00 O ATOM 1429 ND2 ASN A 90 7.800 4.477 -16.273 1.00 0.00 N ATOM 0 H ASN A 90 6.456 3.042 -13.199 1.00 0.00 H new ATOM 0 HA ASN A 90 4.275 4.299 -14.202 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.194 5.283 -16.433 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.300 6.275 -14.993 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.814 4.507 -16.381 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.266 3.714 -16.688 1.00 0.00 H new ATOM 1436 N LYS A 91 5.432 1.747 -14.824 1.00 0.00 N ATOM 1437 CA LYS A 91 5.475 0.475 -15.593 1.00 0.00 C ATOM 1438 C LYS A 91 4.258 -0.369 -15.227 1.00 0.00 C ATOM 1439 O LYS A 91 3.645 -0.993 -16.071 1.00 0.00 O ATOM 1440 CB LYS A 91 6.757 -0.292 -15.251 1.00 0.00 C ATOM 1441 CG LYS A 91 7.973 0.577 -15.574 1.00 0.00 C ATOM 1442 CD LYS A 91 8.844 0.720 -14.325 1.00 0.00 C ATOM 1443 CE LYS A 91 9.936 -0.352 -14.339 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.276 0.302 -14.293 1.00 0.00 N ATOM 0 H LYS A 91 5.488 1.643 -13.811 1.00 0.00 H new ATOM 0 HA LYS A 91 5.464 0.691 -16.661 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.761 -0.563 -14.195 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.800 -1.221 -15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.549 0.128 -16.383 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.650 1.559 -15.920 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.294 1.712 -14.294 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.232 0.619 -13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.816 -1.020 -13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.849 -0.964 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.018 -0.426 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.388 0.922 -15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.357 0.867 -13.424 1.00 0.00 H new ATOM 1458 N ASP A 92 3.892 -0.382 -13.975 1.00 0.00 N ATOM 1459 CA ASP A 92 2.701 -1.174 -13.563 1.00 0.00 C ATOM 1460 C ASP A 92 1.442 -0.330 -13.778 1.00 0.00 C ATOM 1461 O ASP A 92 0.366 -0.676 -13.333 1.00 0.00 O ATOM 1462 CB ASP A 92 2.819 -1.551 -12.084 1.00 0.00 C ATOM 1463 CG ASP A 92 2.286 -2.971 -11.878 1.00 0.00 C ATOM 1464 OD1 ASP A 92 1.389 -3.356 -12.609 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.783 -3.648 -10.992 1.00 0.00 O ATOM 0 H ASP A 92 4.364 0.120 -13.223 1.00 0.00 H new ATOM 0 HA ASP A 92 2.641 -2.084 -14.160 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.859 -1.491 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.256 -0.847 -11.472 1.00 0.00 H new ATOM 1470 N ASP A 93 1.570 0.776 -14.463 1.00 0.00 N ATOM 1471 CA ASP A 93 0.384 1.644 -14.712 1.00 0.00 C ATOM 1472 C ASP A 93 -0.447 1.048 -15.851 1.00 0.00 C ATOM 1473 O ASP A 93 -0.228 1.341 -17.011 1.00 0.00 O ATOM 1474 CB ASP A 93 0.855 3.046 -15.104 1.00 0.00 C ATOM 1475 CG ASP A 93 -0.339 4.003 -15.103 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -1.209 3.836 -14.263 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -0.365 4.886 -15.944 1.00 0.00 O ATOM 0 H ASP A 93 2.446 1.115 -14.861 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.224 1.704 -13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.615 3.395 -14.405 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.316 3.024 -16.091 1.00 0.00 H new