USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 995 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 68 ASN : amide:sc= -1.91 K(o=-1.8,f=-0.18) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.1 K(o=-1.8,f=-12!) USER MOD Single : A 12 LYS NZ :NH3+ -116:sc= 0.842 (180deg=-0.376) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 20 HIS : no HD1:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Single : A 21 CYS SG : rot 142:sc= -1.77! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.045) USER MOD Single : A 28 HIS : no HD1:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 31 THR OG1 : rot -56:sc= 1.1 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 42 GLN : amide:sc= -11.9! C(o=-12!,f=-9.7!) USER MOD Single : A 43 THR OG1 : rot -47:sc= 0.0186 USER MOD Single : A 51 CYS SG : rot 126:sc= -5.04! USER MOD Single : A 52 GLN : amide:sc= -0.818 K(o=-0.82,f=-5.8!) USER MOD Single : A 55 ASN : amide:sc= -3.06 K(o=-3.1,f=-16!) USER MOD Single : A 56 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.28) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 85:sc= 0.00533 USER MOD Single : A 63 ASN : amide:sc= -1.13 K(o=-1.1,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 68:sc= 0.722 USER MOD Single : A 89 CYS SG : rot 135:sc= -0.87 USER MOD Single : A 90 CYS SG : rot -69:sc= -2.39! USER MOD Single : A 92 THR OG1 : rot 90:sc= -0.515 USER MOD Single : A 95 MET CE :methyl 177:sc= -0.136 (180deg=-0.152) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -27:sc= 0.255 USER MOD Single : A 114 LYS NZ :NH3+ -149:sc= -1.88 (180deg=-3.27!) USER MOD Single : A 118 THR OG1 : rot -150:sc= 0.00441 USER MOD Single : A 120 SER OG : rot 180:sc=-0.00349 USER MOD Single : A 123 SER OG : rot -79:sc= -0.0265 USER MOD Single : A 125 THR OG1 : rot -70:sc= 1.14 USER MOD Single : A 131 THR OG1 : rot -61:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 12.017 1.694 7.111 1.00 0.00 N ATOM 99 CA PRO A 10 11.411 0.664 6.262 1.00 0.00 C ATOM 100 C PRO A 10 10.743 1.252 5.024 1.00 0.00 C ATOM 101 O PRO A 10 10.942 0.766 3.910 1.00 0.00 O ATOM 102 CB PRO A 10 10.366 0.020 7.178 1.00 0.00 C ATOM 103 CG PRO A 10 10.029 1.079 8.170 1.00 0.00 C ATOM 104 CD PRO A 10 11.292 1.867 8.381 1.00 0.00 C ATOM 0 HA PRO A 10 12.153 -0.037 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.485 -0.291 6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.763 -0.869 7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.227 1.719 7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.682 0.641 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.082 2.917 8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.866 1.488 9.226 1.00 0.00 H new ATOM 112 N TRP A 11 9.953 2.300 5.225 1.00 0.00 N ATOM 113 CA TRP A 11 9.256 2.955 4.123 1.00 0.00 C ATOM 114 C TRP A 11 10.247 3.497 3.098 1.00 0.00 C ATOM 115 O TRP A 11 10.021 3.402 1.892 1.00 0.00 O ATOM 116 CB TRP A 11 8.378 4.090 4.651 1.00 0.00 C ATOM 117 CG TRP A 11 9.146 5.335 4.975 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.822 5.604 6.131 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.317 6.481 4.133 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.402 6.847 6.059 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.108 7.405 4.843 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.880 6.814 2.848 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.468 8.640 4.310 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.239 8.040 2.321 1.00 0.00 C ATOM 125 CH2 TRP A 11 10.027 8.941 3.050 1.00 0.00 C ATOM 0 H TRP A 11 9.779 2.715 6.140 1.00 0.00 H new ATOM 0 HA TRP A 11 8.624 2.214 3.633 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.616 4.325 3.908 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.857 3.750 5.546 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.890 4.937 6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.961 7.284 6.792 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.273 6.126 2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.074 9.336 4.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.906 8.309 1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.291 9.891 2.609 1.00 0.00 H new ATOM 136 N LYS A 12 11.345 4.065 3.586 1.00 0.00 N ATOM 137 CA LYS A 12 12.371 4.620 2.712 1.00 0.00 C ATOM 138 C LYS A 12 12.540 3.767 1.459 1.00 0.00 C ATOM 139 O LYS A 12 12.281 4.225 0.347 1.00 0.00 O ATOM 140 CB LYS A 12 13.704 4.720 3.457 1.00 0.00 C ATOM 141 CG LYS A 12 13.659 5.640 4.665 1.00 0.00 C ATOM 142 CD LYS A 12 14.052 7.061 4.300 1.00 0.00 C ATOM 143 CE LYS A 12 13.179 7.610 3.181 1.00 0.00 C ATOM 144 NZ LYS A 12 13.280 9.092 3.076 1.00 0.00 N ATOM 0 H LYS A 12 11.547 4.153 4.582 1.00 0.00 H new ATOM 0 HA LYS A 12 12.054 5.618 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.005 3.724 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.470 5.076 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.655 5.637 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.331 5.263 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.965 7.701 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.097 7.083 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.475 7.158 2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.141 7.328 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.356 9.519 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.987 9.441 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.568 9.353 2.111 1.00 0.00 H new ATOM 158 N GLN A 13 12.974 2.525 1.648 1.00 0.00 N ATOM 159 CA GLN A 13 13.176 1.609 0.532 1.00 0.00 C ATOM 160 C GLN A 13 11.855 1.300 -0.164 1.00 0.00 C ATOM 161 O GLN A 13 11.788 1.243 -1.393 1.00 0.00 O ATOM 162 CB GLN A 13 13.824 0.312 1.020 1.00 0.00 C ATOM 163 CG GLN A 13 13.031 -0.392 2.109 1.00 0.00 C ATOM 164 CD GLN A 13 13.758 -1.596 2.675 1.00 0.00 C ATOM 165 OE1 GLN A 13 13.635 -2.708 2.162 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.523 -1.380 3.739 1.00 0.00 N ATOM 0 H GLN A 13 13.192 2.130 2.563 1.00 0.00 H new ATOM 0 HA GLN A 13 13.840 2.091 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.944 -0.365 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.823 0.534 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.822 0.313 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.070 -0.710 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.596 -0.442 4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.037 -2.152 4.163 1.00 0.00 H new ATOM 175 N CYS A 14 10.807 1.101 0.627 1.00 0.00 N ATOM 176 CA CYS A 14 9.487 0.797 0.087 1.00 0.00 C ATOM 177 C CYS A 14 9.138 1.740 -1.060 1.00 0.00 C ATOM 178 O CYS A 14 8.719 1.303 -2.131 1.00 0.00 O ATOM 179 CB CYS A 14 8.427 0.896 1.185 1.00 0.00 C ATOM 180 SG CYS A 14 6.809 0.244 0.711 1.00 0.00 S ATOM 0 H CYS A 14 10.846 1.145 1.645 1.00 0.00 H new ATOM 0 HA CYS A 14 9.506 -0.223 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.780 0.358 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.315 1.941 1.474 1.00 0.00 H new ATOM 0 HG CYS A 14 5.982 0.371 1.706 1.00 0.00 H new ATOM 186 N ALA A 15 9.313 3.037 -0.826 1.00 0.00 N ATOM 187 CA ALA A 15 9.017 4.042 -1.839 1.00 0.00 C ATOM 188 C ALA A 15 9.467 3.579 -3.221 1.00 0.00 C ATOM 189 O ALA A 15 8.721 3.683 -4.194 1.00 0.00 O ATOM 190 CB ALA A 15 9.681 5.364 -1.482 1.00 0.00 C ATOM 0 H ALA A 15 9.658 3.416 0.056 1.00 0.00 H new ATOM 0 HA ALA A 15 7.937 4.186 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.451 6.105 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.308 5.710 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.761 5.225 -1.424 1.00 0.00 H new ATOM 196 N GLN A 16 10.691 3.068 -3.298 1.00 0.00 N ATOM 197 CA GLN A 16 11.241 2.590 -4.562 1.00 0.00 C ATOM 198 C GLN A 16 10.326 1.544 -5.192 1.00 0.00 C ATOM 199 O GLN A 16 9.904 1.686 -6.339 1.00 0.00 O ATOM 200 CB GLN A 16 12.636 2.001 -4.346 1.00 0.00 C ATOM 201 CG GLN A 16 13.601 2.958 -3.665 1.00 0.00 C ATOM 202 CD GLN A 16 14.081 4.058 -4.591 1.00 0.00 C ATOM 203 OE1 GLN A 16 15.173 3.980 -5.154 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.265 5.093 -4.753 1.00 0.00 N ATOM 0 H GLN A 16 11.321 2.974 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 16 11.315 3.439 -5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.550 1.096 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.050 1.705 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.113 3.405 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.460 2.399 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.369 5.117 -4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.535 5.864 -5.364 1.00 0.00 H new ATOM 213 N TRP A 17 10.025 0.496 -4.435 1.00 0.00 N ATOM 214 CA TRP A 17 9.161 -0.574 -4.920 1.00 0.00 C ATOM 215 C TRP A 17 7.893 -0.007 -5.548 1.00 0.00 C ATOM 216 O TRP A 17 7.484 -0.426 -6.632 1.00 0.00 O ATOM 217 CB TRP A 17 8.798 -1.523 -3.776 1.00 0.00 C ATOM 218 CG TRP A 17 8.012 -2.718 -4.222 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.422 -3.692 -5.088 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.681 -3.065 -3.827 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.425 -4.623 -5.254 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.347 -4.262 -4.490 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.738 -2.483 -2.975 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.112 -4.883 -4.328 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.513 -3.101 -2.815 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.208 -4.291 -3.488 1.00 0.00 C ATOM 0 H TRP A 17 10.366 0.364 -3.483 1.00 0.00 H new ATOM 0 HA TRP A 17 9.706 -1.129 -5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.713 -1.860 -3.289 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.222 -0.977 -3.029 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.387 -3.725 -5.571 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.479 -5.449 -5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.963 -1.566 -2.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.875 -5.800 -4.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.777 -2.659 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.241 -4.750 -3.341 1.00 0.00 H new ATOM 237 N LEU A 18 7.274 0.948 -4.863 1.00 0.00 N ATOM 238 CA LEU A 18 6.052 1.573 -5.355 1.00 0.00 C ATOM 239 C LEU A 18 6.270 2.183 -6.736 1.00 0.00 C ATOM 240 O LEU A 18 5.484 1.955 -7.657 1.00 0.00 O ATOM 241 CB LEU A 18 5.578 2.651 -4.378 1.00 0.00 C ATOM 242 CG LEU A 18 5.114 2.158 -3.008 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.033 3.314 -2.023 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.768 1.457 -3.121 1.00 0.00 C ATOM 0 H LEU A 18 7.599 1.306 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 18 5.286 0.802 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.391 3.362 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.757 3.198 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 18 5.845 1.441 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.701 2.943 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.016 3.773 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.324 4.056 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.453 1.113 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.028 2.153 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.858 0.603 -3.792 1.00 0.00 H new ATOM 256 N ILE A 19 7.341 2.956 -6.873 1.00 0.00 N ATOM 257 CA ILE A 19 7.664 3.595 -8.143 1.00 0.00 C ATOM 258 C ILE A 19 7.816 2.563 -9.255 1.00 0.00 C ATOM 259 O ILE A 19 7.299 2.741 -10.358 1.00 0.00 O ATOM 260 CB ILE A 19 8.960 4.421 -8.044 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.827 5.491 -6.958 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.285 5.059 -9.387 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.116 6.229 -6.676 1.00 0.00 C ATOM 0 H ILE A 19 8.000 3.155 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 19 6.835 4.262 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 19 9.779 3.755 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.065 6.210 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.478 5.022 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.204 5.640 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.417 4.280 -10.138 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.468 5.715 -9.685 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.947 6.972 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.876 5.521 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.456 6.727 -7.584 1.00 0.00 H new ATOM 275 N HIS A 20 8.529 1.481 -8.957 1.00 0.00 N ATOM 276 CA HIS A 20 8.747 0.417 -9.931 1.00 0.00 C ATOM 277 C HIS A 20 7.455 -0.347 -10.200 1.00 0.00 C ATOM 278 O HIS A 20 7.241 -0.856 -11.301 1.00 0.00 O ATOM 279 CB HIS A 20 9.828 -0.544 -9.434 1.00 0.00 C ATOM 280 CG HIS A 20 11.221 -0.022 -9.610 1.00 0.00 C ATOM 281 ND1 HIS A 20 12.039 -0.398 -10.654 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.938 0.854 -8.868 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.200 0.223 -10.546 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.165 0.989 -9.471 1.00 0.00 N ATOM 0 H HIS A 20 8.965 1.318 -8.050 1.00 0.00 H new ATOM 0 HA HIS A 20 9.078 0.874 -10.863 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.658 -0.754 -8.378 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.734 -1.491 -9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.607 1.354 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 20 14.036 0.121 -11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.925 1.584 -9.142 1.00 0.00 H new ATOM 293 N CYS A 21 6.598 -0.425 -9.188 1.00 0.00 N ATOM 294 CA CYS A 21 5.327 -1.129 -9.315 1.00 0.00 C ATOM 295 C CYS A 21 4.340 -0.323 -10.154 1.00 0.00 C ATOM 296 O CYS A 21 3.207 -0.749 -10.379 1.00 0.00 O ATOM 297 CB CYS A 21 4.733 -1.406 -7.933 1.00 0.00 C ATOM 298 SG CYS A 21 5.533 -2.763 -7.045 1.00 0.00 S ATOM 0 H CYS A 21 6.760 -0.010 -8.271 1.00 0.00 H new ATOM 0 HA CYS A 21 5.514 -2.077 -9.819 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.803 -0.500 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.673 -1.633 -8.044 1.00 0.00 H new ATOM 0 HG CYS A 21 5.619 -2.464 -5.783 1.00 0.00 H new ATOM 304 N LYS A 22 4.777 0.845 -10.612 1.00 0.00 N ATOM 305 CA LYS A 22 3.934 1.712 -11.425 1.00 0.00 C ATOM 306 C LYS A 22 2.758 2.246 -10.613 1.00 0.00 C ATOM 307 O LYS A 22 1.606 2.158 -11.038 1.00 0.00 O ATOM 308 CB LYS A 22 3.418 0.954 -12.651 1.00 0.00 C ATOM 309 CG LYS A 22 4.518 0.292 -13.463 1.00 0.00 C ATOM 310 CD LYS A 22 5.401 1.321 -14.149 1.00 0.00 C ATOM 311 CE LYS A 22 6.229 0.694 -15.259 1.00 0.00 C ATOM 312 NZ LYS A 22 7.468 1.473 -15.535 1.00 0.00 N ATOM 0 H LYS A 22 5.711 1.213 -10.433 1.00 0.00 H new ATOM 0 HA LYS A 22 4.538 2.557 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.710 0.192 -12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.871 1.645 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.127 -0.334 -12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.074 -0.365 -14.211 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.781 2.117 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.063 1.781 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.496 -0.326 -14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.630 0.631 -16.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.005 1.013 -16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.213 2.439 -15.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.052 1.512 -14.676 1.00 0.00 H new ATOM 326 N VAL A 23 3.057 2.800 -9.442 1.00 0.00 N ATOM 327 CA VAL A 23 2.025 3.350 -8.571 1.00 0.00 C ATOM 328 C VAL A 23 2.353 4.782 -8.167 1.00 0.00 C ATOM 329 O VAL A 23 1.457 5.590 -7.917 1.00 0.00 O ATOM 330 CB VAL A 23 1.849 2.497 -7.301 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.395 1.090 -7.660 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.143 2.460 -6.501 1.00 0.00 C ATOM 0 H VAL A 23 4.005 2.880 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 23 1.094 3.340 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 23 1.078 2.955 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.276 0.503 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.442 1.139 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.141 0.619 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.001 1.853 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.936 2.027 -7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.421 3.473 -6.211 1.00 0.00 H new ATOM 342 N LEU A 24 3.644 5.093 -8.105 1.00 0.00 N ATOM 343 CA LEU A 24 4.092 6.430 -7.731 1.00 0.00 C ATOM 344 C LEU A 24 5.092 6.972 -8.747 1.00 0.00 C ATOM 345 O LEU A 24 5.873 6.231 -9.344 1.00 0.00 O ATOM 346 CB LEU A 24 4.725 6.406 -6.339 1.00 0.00 C ATOM 347 CG LEU A 24 3.757 6.249 -5.165 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.522 6.030 -3.869 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.853 7.468 -5.052 1.00 0.00 C ATOM 0 H LEU A 24 4.398 4.437 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 24 3.223 7.088 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.445 5.588 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.286 7.330 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 24 3.133 5.374 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.817 5.920 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.127 5.127 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.171 6.885 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.171 7.339 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.461 8.358 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.278 7.581 -5.971 1.00 0.00 H new ATOM 361 N PRO A 25 5.071 8.298 -8.948 1.00 0.00 N ATOM 362 CA PRO A 25 5.971 8.971 -9.890 1.00 0.00 C ATOM 363 C PRO A 25 7.418 8.968 -9.410 1.00 0.00 C ATOM 364 O PRO A 25 7.687 8.872 -8.212 1.00 0.00 O ATOM 365 CB PRO A 25 5.427 10.401 -9.941 1.00 0.00 C ATOM 366 CG PRO A 25 4.732 10.588 -8.637 1.00 0.00 C ATOM 367 CD PRO A 25 4.166 9.243 -8.272 1.00 0.00 C ATOM 0 HA PRO A 25 5.992 8.474 -10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.231 11.126 -10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.741 10.534 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.425 10.940 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.942 11.334 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.158 9.090 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.138 9.132 -8.617 1.00 0.00 H new ATOM 375 N THR A 26 8.350 9.074 -10.353 1.00 0.00 N ATOM 376 CA THR A 26 9.770 9.083 -10.027 1.00 0.00 C ATOM 377 C THR A 26 10.154 10.354 -9.277 1.00 0.00 C ATOM 378 O THR A 26 11.194 10.409 -8.623 1.00 0.00 O ATOM 379 CB THR A 26 10.638 8.966 -11.294 1.00 0.00 C ATOM 380 OG1 THR A 26 10.496 10.143 -12.096 1.00 0.00 O ATOM 381 CG2 THR A 26 10.247 7.741 -12.107 1.00 0.00 C ATOM 0 H THR A 26 8.146 9.155 -11.349 1.00 0.00 H new ATOM 0 HA THR A 26 9.953 8.218 -9.389 1.00 0.00 H new ATOM 0 HB THR A 26 11.678 8.861 -10.986 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.052 10.061 -12.899 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.874 7.680 -12.997 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.385 6.844 -11.503 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.201 7.820 -12.404 1.00 0.00 H new ATOM 389 N ASN A 27 9.307 11.373 -9.378 1.00 0.00 N ATOM 390 CA ASN A 27 9.558 12.644 -8.708 1.00 0.00 C ATOM 391 C ASN A 27 8.531 12.892 -7.608 1.00 0.00 C ATOM 392 O ASN A 27 8.365 14.019 -7.141 1.00 0.00 O ATOM 393 CB ASN A 27 9.526 13.792 -9.720 1.00 0.00 C ATOM 394 CG ASN A 27 10.310 15.001 -9.247 1.00 0.00 C ATOM 395 OD1 ASN A 27 9.763 16.095 -9.111 1.00 0.00 O ATOM 396 ND2 ASN A 27 11.599 14.808 -8.995 1.00 0.00 N ATOM 0 H ASN A 27 8.441 11.344 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 27 10.547 12.597 -8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.934 13.447 -10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.492 14.082 -9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.178 15.584 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.011 13.883 -9.122 1.00 0.00 H new ATOM 403 N HIS A 28 7.844 11.831 -7.198 1.00 0.00 N ATOM 404 CA HIS A 28 6.833 11.933 -6.151 1.00 0.00 C ATOM 405 C HIS A 28 7.358 12.737 -4.965 1.00 0.00 C ATOM 406 O HIS A 28 8.550 13.031 -4.882 1.00 0.00 O ATOM 407 CB HIS A 28 6.405 10.539 -5.688 1.00 0.00 C ATOM 408 CG HIS A 28 5.017 10.493 -5.130 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.689 9.803 -3.982 1.00 0.00 N ATOM 410 CD2 HIS A 28 3.867 11.059 -5.567 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.399 9.945 -3.739 1.00 0.00 C ATOM 412 NE2 HIS A 28 2.877 10.703 -4.686 1.00 0.00 N ATOM 0 H HIS A 28 7.968 10.891 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 28 5.968 12.452 -6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.472 9.849 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.104 10.186 -4.930 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.751 11.676 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.862 9.514 -2.907 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.897 10.979 -4.752 1.00 0.00 H new ATOM 421 N ARG A 29 6.459 13.090 -4.052 1.00 0.00 N ATOM 422 CA ARG A 29 6.831 13.862 -2.873 1.00 0.00 C ATOM 423 C ARG A 29 7.497 12.971 -1.828 1.00 0.00 C ATOM 424 O ARG A 29 8.507 13.344 -1.230 1.00 0.00 O ATOM 425 CB ARG A 29 5.599 14.539 -2.270 1.00 0.00 C ATOM 426 CG ARG A 29 4.480 13.571 -1.924 1.00 0.00 C ATOM 427 CD ARG A 29 3.307 14.286 -1.271 1.00 0.00 C ATOM 428 NE ARG A 29 2.529 15.056 -2.238 1.00 0.00 N ATOM 429 CZ ARG A 29 1.253 15.380 -2.064 1.00 0.00 C ATOM 430 NH1 ARG A 29 0.613 15.001 -0.966 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.613 16.083 -2.989 1.00 0.00 N ATOM 0 H ARG A 29 5.468 12.854 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 29 7.543 14.627 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.895 15.076 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.222 15.281 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.142 13.066 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.858 12.801 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.661 13.554 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.677 14.951 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 29 2.991 15.362 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.101 14.459 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.367 15.251 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.101 16.376 -3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.367 16.331 -2.854 1.00 0.00 H new ATOM 445 N VAL A 30 6.923 11.791 -1.611 1.00 0.00 N ATOM 446 CA VAL A 30 7.461 10.847 -0.639 1.00 0.00 C ATOM 447 C VAL A 30 8.939 10.574 -0.897 1.00 0.00 C ATOM 448 O VAL A 30 9.701 10.294 0.029 1.00 0.00 O ATOM 449 CB VAL A 30 6.692 9.512 -0.669 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.191 9.760 -0.632 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.077 8.703 -1.897 1.00 0.00 C ATOM 0 H VAL A 30 6.086 11.467 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 30 7.345 11.304 0.344 1.00 0.00 H new ATOM 0 HB VAL A 30 6.963 8.936 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.664 8.806 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.933 10.296 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.899 10.356 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.524 7.764 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.837 9.270 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.147 8.495 -1.875 1.00 0.00 H new ATOM 461 N THR A 31 9.339 10.659 -2.162 1.00 0.00 N ATOM 462 CA THR A 31 10.726 10.421 -2.542 1.00 0.00 C ATOM 463 C THR A 31 11.662 11.407 -1.853 1.00 0.00 C ATOM 464 O THR A 31 12.809 11.080 -1.550 1.00 0.00 O ATOM 465 CB THR A 31 10.916 10.530 -4.067 1.00 0.00 C ATOM 466 OG1 THR A 31 10.675 11.874 -4.496 1.00 0.00 O ATOM 467 CG2 THR A 31 9.978 9.582 -4.798 1.00 0.00 C ATOM 0 H THR A 31 8.722 10.891 -2.941 1.00 0.00 H new ATOM 0 HA THR A 31 10.972 9.408 -2.223 1.00 0.00 H new ATOM 0 HB THR A 31 11.943 10.253 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.778 12.152 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.130 9.677 -5.873 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.185 8.557 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.945 9.832 -4.554 1.00 0.00 H new ATOM 475 N TRP A 32 11.165 12.614 -1.608 1.00 0.00 N ATOM 476 CA TRP A 32 11.958 13.648 -0.953 1.00 0.00 C ATOM 477 C TRP A 32 12.328 13.233 0.467 1.00 0.00 C ATOM 478 O TRP A 32 11.493 12.715 1.209 1.00 0.00 O ATOM 479 CB TRP A 32 11.189 14.970 -0.927 1.00 0.00 C ATOM 480 CG TRP A 32 11.176 15.675 -2.249 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.638 15.216 -3.418 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.727 16.965 -2.539 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.821 16.142 -4.416 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.486 17.224 -3.902 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.399 17.926 -1.779 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.895 18.404 -4.518 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.804 19.096 -2.392 1.00 0.00 C ATOM 488 CH2 TRP A 32 12.550 19.327 -3.750 1.00 0.00 C ATOM 0 H TRP A 32 10.217 12.901 -1.853 1.00 0.00 H new ATOM 0 HA TRP A 32 12.877 13.782 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.162 14.779 -0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.633 15.626 -0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.142 14.265 -3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.512 16.041 -5.383 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.598 17.757 -0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.702 18.584 -5.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.325 19.845 -1.814 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.878 20.253 -4.200 1.00 0.00 H new ATOM 499 N ASP A 33 13.582 13.465 0.839 1.00 0.00 N ATOM 500 CA ASP A 33 14.061 13.115 2.171 1.00 0.00 C ATOM 501 C ASP A 33 13.163 13.717 3.247 1.00 0.00 C ATOM 502 O ASP A 33 12.792 13.044 4.208 1.00 0.00 O ATOM 503 CB ASP A 33 15.500 13.599 2.362 1.00 0.00 C ATOM 504 CG ASP A 33 16.481 12.859 1.474 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.697 13.305 0.327 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.035 11.835 1.926 1.00 0.00 O ATOM 0 H ASP A 33 14.285 13.894 0.237 1.00 0.00 H new ATOM 0 HA ASP A 33 14.035 12.029 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.553 14.666 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.789 13.469 3.405 1.00 0.00 H new ATOM 511 N SER A 34 12.817 14.990 3.078 1.00 0.00 N ATOM 512 CA SER A 34 11.966 15.684 4.037 1.00 0.00 C ATOM 513 C SER A 34 10.724 14.859 4.359 1.00 0.00 C ATOM 514 O SER A 34 10.332 14.732 5.518 1.00 0.00 O ATOM 515 CB SER A 34 11.555 17.053 3.490 1.00 0.00 C ATOM 516 OG SER A 34 11.017 17.871 4.513 1.00 0.00 O ATOM 0 H SER A 34 13.113 15.561 2.286 1.00 0.00 H new ATOM 0 HA SER A 34 12.536 15.824 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.420 17.544 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.818 16.925 2.697 1.00 0.00 H new ATOM 0 HG SER A 34 10.764 18.740 4.138 1.00 0.00 H new ATOM 522 N ALA A 35 10.109 14.299 3.322 1.00 0.00 N ATOM 523 CA ALA A 35 8.912 13.484 3.493 1.00 0.00 C ATOM 524 C ALA A 35 9.109 12.442 4.588 1.00 0.00 C ATOM 525 O ALA A 35 10.240 12.116 4.950 1.00 0.00 O ATOM 526 CB ALA A 35 8.542 12.809 2.180 1.00 0.00 C ATOM 0 H ALA A 35 10.420 14.395 2.355 1.00 0.00 H new ATOM 0 HA ALA A 35 8.096 14.140 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.647 12.204 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.350 13.568 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.364 12.171 1.855 1.00 0.00 H new ATOM 532 N GLN A 36 8.003 11.924 5.112 1.00 0.00 N ATOM 533 CA GLN A 36 8.056 10.920 6.168 1.00 0.00 C ATOM 534 C GLN A 36 6.989 9.851 5.956 1.00 0.00 C ATOM 535 O GLN A 36 6.060 10.034 5.170 1.00 0.00 O ATOM 536 CB GLN A 36 7.871 11.578 7.537 1.00 0.00 C ATOM 537 CG GLN A 36 8.946 12.599 7.871 1.00 0.00 C ATOM 538 CD GLN A 36 8.518 13.562 8.961 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.465 14.194 8.868 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.333 13.678 10.003 1.00 0.00 N ATOM 0 H GLN A 36 7.060 12.183 4.823 1.00 0.00 H new ATOM 0 HA GLN A 36 9.035 10.443 6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.897 12.065 7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.865 10.804 8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.851 12.079 8.186 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.199 13.162 6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.196 13.135 10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.096 14.310 10.768 1.00 0.00 H new ATOM 549 N VAL A 37 7.129 8.734 6.663 1.00 0.00 N ATOM 550 CA VAL A 37 6.177 7.635 6.553 1.00 0.00 C ATOM 551 C VAL A 37 4.761 8.155 6.336 1.00 0.00 C ATOM 552 O VAL A 37 4.041 7.680 5.458 1.00 0.00 O ATOM 553 CB VAL A 37 6.199 6.746 7.810 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.370 5.776 7.759 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.259 7.601 9.067 1.00 0.00 C ATOM 0 H VAL A 37 7.893 8.566 7.318 1.00 0.00 H new ATOM 0 HA VAL A 37 6.478 7.040 5.691 1.00 0.00 H new ATOM 0 HB VAL A 37 5.278 6.164 7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.369 5.156 8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.278 5.140 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.304 6.336 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.274 6.956 9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.162 8.211 9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.384 8.250 9.108 1.00 0.00 H new ATOM 565 N PHE A 38 4.366 9.135 7.143 1.00 0.00 N ATOM 566 CA PHE A 38 3.034 9.720 7.040 1.00 0.00 C ATOM 567 C PHE A 38 2.682 10.019 5.586 1.00 0.00 C ATOM 568 O PHE A 38 1.749 9.440 5.030 1.00 0.00 O ATOM 569 CB PHE A 38 2.952 11.002 7.871 1.00 0.00 C ATOM 570 CG PHE A 38 1.586 11.627 7.875 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.449 10.837 7.916 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.440 13.004 7.839 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.809 11.409 7.919 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.184 13.583 7.842 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.942 12.784 7.883 1.00 0.00 C ATOM 0 H PHE A 38 4.949 9.540 7.875 1.00 0.00 H new ATOM 0 HA PHE A 38 2.316 8.997 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.244 10.780 8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.672 11.723 7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.547 9.762 7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.317 13.633 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.688 10.782 7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.084 14.658 7.812 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.924 13.233 7.887 1.00 0.00 H new ATOM 585 N ASP A 39 3.437 10.927 4.976 1.00 0.00 N ATOM 586 CA ASP A 39 3.206 11.303 3.586 1.00 0.00 C ATOM 587 C ASP A 39 2.792 10.092 2.756 1.00 0.00 C ATOM 588 O ASP A 39 1.747 10.101 2.103 1.00 0.00 O ATOM 589 CB ASP A 39 4.464 11.938 2.992 1.00 0.00 C ATOM 590 CG ASP A 39 4.149 12.911 1.873 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.077 13.550 1.927 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.973 13.033 0.942 1.00 0.00 O ATOM 0 H ASP A 39 4.213 11.416 5.422 1.00 0.00 H new ATOM 0 HA ASP A 39 2.395 12.031 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.011 12.458 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.119 11.153 2.614 1.00 0.00 H new ATOM 597 N LEU A 40 3.617 9.052 2.785 1.00 0.00 N ATOM 598 CA LEU A 40 3.337 7.832 2.035 1.00 0.00 C ATOM 599 C LEU A 40 2.087 7.140 2.568 1.00 0.00 C ATOM 600 O LEU A 40 1.342 6.515 1.813 1.00 0.00 O ATOM 601 CB LEU A 40 4.532 6.880 2.107 1.00 0.00 C ATOM 602 CG LEU A 40 4.378 5.553 1.364 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.152 5.795 -0.120 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.602 4.674 1.582 1.00 0.00 C ATOM 0 H LEU A 40 4.485 9.028 3.320 1.00 0.00 H new ATOM 0 HA LEU A 40 3.162 8.106 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.407 7.396 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.737 6.665 3.156 1.00 0.00 H new ATOM 0 HG LEU A 40 3.507 5.034 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.045 4.839 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.246 6.385 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.003 6.335 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.475 3.734 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.489 5.187 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.720 4.472 2.647 1.00 0.00 H new ATOM 616 N ALA A 41 1.863 7.257 3.872 1.00 0.00 N ATOM 617 CA ALA A 41 0.701 6.646 4.506 1.00 0.00 C ATOM 618 C ALA A 41 -0.569 7.433 4.200 1.00 0.00 C ATOM 619 O ALA A 41 -1.678 6.948 4.419 1.00 0.00 O ATOM 620 CB ALA A 41 0.911 6.544 6.009 1.00 0.00 C ATOM 0 H ALA A 41 2.471 7.770 4.511 1.00 0.00 H new ATOM 0 HA ALA A 41 0.583 5.642 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.035 6.086 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.790 5.932 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.059 7.541 6.424 1.00 0.00 H new ATOM 626 N GLN A 42 -0.397 8.650 3.693 1.00 0.00 N ATOM 627 CA GLN A 42 -1.531 9.504 3.359 1.00 0.00 C ATOM 628 C GLN A 42 -2.025 9.224 1.944 1.00 0.00 C ATOM 629 O GLN A 42 -3.220 9.029 1.719 1.00 0.00 O ATOM 630 CB GLN A 42 -1.142 10.978 3.494 1.00 0.00 C ATOM 631 CG GLN A 42 -0.757 11.379 4.908 1.00 0.00 C ATOM 632 CD GLN A 42 -0.839 12.876 5.134 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.928 13.446 5.206 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.316 13.522 5.246 1.00 0.00 N ATOM 0 H GLN A 42 0.515 9.066 3.505 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.339 9.283 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.307 11.187 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.976 11.597 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.412 10.872 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.258 11.040 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.195 13.010 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.324 14.531 5.398 1.00 0.00 H new ATOM 643 N THR A 43 -1.098 9.205 0.991 1.00 0.00 N ATOM 644 CA THR A 43 -1.440 8.950 -0.403 1.00 0.00 C ATOM 645 C THR A 43 -2.179 7.625 -0.554 1.00 0.00 C ATOM 646 O THR A 43 -2.776 7.351 -1.596 1.00 0.00 O ATOM 647 CB THR A 43 -0.184 8.929 -1.294 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.547 9.175 -2.657 1.00 0.00 O ATOM 649 CG2 THR A 43 0.532 7.591 -1.189 1.00 0.00 C ATOM 0 H THR A 43 -0.104 9.363 1.159 1.00 0.00 H new ATOM 0 HA THR A 43 -2.090 9.764 -0.723 1.00 0.00 H new ATOM 0 HB THR A 43 0.491 9.713 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.317 8.617 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.416 7.600 -1.827 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.832 7.419 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.138 6.793 -1.509 1.00 0.00 H new ATOM 657 N LEU A 44 -2.135 6.806 0.491 1.00 0.00 N ATOM 658 CA LEU A 44 -2.802 5.509 0.475 1.00 0.00 C ATOM 659 C LEU A 44 -3.959 5.478 1.468 1.00 0.00 C ATOM 660 O LEU A 44 -4.908 4.711 1.308 1.00 0.00 O ATOM 661 CB LEU A 44 -1.805 4.396 0.802 1.00 0.00 C ATOM 662 CG LEU A 44 -0.442 4.493 0.115 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.560 3.565 0.783 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.567 4.169 -1.367 1.00 0.00 C ATOM 0 H LEU A 44 -1.644 7.017 1.360 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.202 5.348 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.646 4.383 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.257 3.441 0.535 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.079 5.516 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.524 3.648 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.672 3.844 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.204 2.537 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.412 4.243 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.952 3.156 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.251 4.875 -1.837 1.00 0.00 H new ATOM 676 N ARG A 45 -3.874 6.320 2.494 1.00 0.00 N ATOM 677 CA ARG A 45 -4.914 6.390 3.513 1.00 0.00 C ATOM 678 C ARG A 45 -6.300 6.371 2.877 1.00 0.00 C ATOM 679 O ARG A 45 -7.237 5.789 3.424 1.00 0.00 O ATOM 680 CB ARG A 45 -4.745 7.654 4.357 1.00 0.00 C ATOM 681 CG ARG A 45 -5.717 7.742 5.523 1.00 0.00 C ATOM 682 CD ARG A 45 -6.048 9.186 5.865 1.00 0.00 C ATOM 683 NE ARG A 45 -7.319 9.303 6.575 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.658 10.359 7.306 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.825 11.384 7.423 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.833 10.392 7.921 1.00 0.00 N ATOM 0 H ARG A 45 -3.096 6.963 2.641 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.817 5.516 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.726 7.691 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.877 8.527 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.633 7.206 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.286 7.250 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.250 9.605 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.089 9.775 4.949 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.983 8.532 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.921 11.363 6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.088 12.193 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.477 9.606 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.092 11.203 8.482 1.00 0.00 H new ATOM 700 N ASP A 46 -6.423 7.011 1.720 1.00 0.00 N ATOM 701 CA ASP A 46 -7.695 7.067 1.008 1.00 0.00 C ATOM 702 C ASP A 46 -8.118 5.678 0.539 1.00 0.00 C ATOM 703 O ASP A 46 -9.272 5.283 0.697 1.00 0.00 O ATOM 704 CB ASP A 46 -7.593 8.014 -0.188 1.00 0.00 C ATOM 705 CG ASP A 46 -6.340 7.778 -1.008 1.00 0.00 C ATOM 706 OD1 ASP A 46 -5.233 8.000 -0.475 1.00 0.00 O ATOM 707 OD2 ASP A 46 -6.466 7.373 -2.182 1.00 0.00 O ATOM 0 H ASP A 46 -5.658 7.499 1.255 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.452 7.444 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.469 7.887 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.603 9.045 0.166 1.00 0.00 H new ATOM 712 N GLY A 47 -7.174 4.942 -0.039 1.00 0.00 N ATOM 713 CA GLY A 47 -7.468 3.606 -0.523 1.00 0.00 C ATOM 714 C GLY A 47 -7.733 3.575 -2.015 1.00 0.00 C ATOM 715 O GLY A 47 -8.450 2.704 -2.508 1.00 0.00 O ATOM 0 H GLY A 47 -6.211 5.247 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.631 2.947 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.337 3.215 0.005 1.00 0.00 H new ATOM 719 N VAL A 48 -7.155 4.530 -2.737 1.00 0.00 N ATOM 720 CA VAL A 48 -7.333 4.609 -4.182 1.00 0.00 C ATOM 721 C VAL A 48 -6.117 4.056 -4.917 1.00 0.00 C ATOM 722 O VAL A 48 -6.249 3.391 -5.945 1.00 0.00 O ATOM 723 CB VAL A 48 -7.579 6.060 -4.638 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.722 6.127 -6.151 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.810 6.632 -3.952 1.00 0.00 C ATOM 0 H VAL A 48 -6.560 5.259 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.207 4.005 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.718 6.664 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.895 7.159 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.809 5.759 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.564 5.510 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.969 7.657 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.681 6.029 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.663 6.620 -2.872 1.00 0.00 H new ATOM 735 N LEU A 49 -4.933 4.334 -4.383 1.00 0.00 N ATOM 736 CA LEU A 49 -3.692 3.864 -4.988 1.00 0.00 C ATOM 737 C LEU A 49 -3.477 2.380 -4.707 1.00 0.00 C ATOM 738 O LEU A 49 -3.276 1.586 -5.627 1.00 0.00 O ATOM 739 CB LEU A 49 -2.505 4.672 -4.458 1.00 0.00 C ATOM 740 CG LEU A 49 -1.176 4.469 -5.186 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.331 4.763 -6.670 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.094 5.347 -4.576 1.00 0.00 C ATOM 0 H LEU A 49 -4.806 4.882 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.767 4.004 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.763 5.730 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.362 4.423 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.876 3.427 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.375 4.613 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.075 4.091 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.654 5.795 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.845 5.189 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.386 6.394 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.035 5.088 -3.525 1.00 0.00 H new ATOM 754 N LEU A 50 -3.523 2.012 -3.431 1.00 0.00 N ATOM 755 CA LEU A 50 -3.337 0.622 -3.029 1.00 0.00 C ATOM 756 C LEU A 50 -3.933 -0.329 -4.061 1.00 0.00 C ATOM 757 O LEU A 50 -3.239 -1.192 -4.599 1.00 0.00 O ATOM 758 CB LEU A 50 -3.977 0.376 -1.662 1.00 0.00 C ATOM 759 CG LEU A 50 -3.077 0.608 -0.447 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.913 0.768 0.813 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.087 -0.537 -0.291 1.00 0.00 C ATOM 0 H LEU A 50 -3.687 2.656 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.266 0.430 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.850 1.022 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.337 -0.653 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.515 1.529 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.256 0.932 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.582 1.621 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.502 -0.135 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.455 -0.355 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.631 -1.472 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.466 -0.605 -1.184 1.00 0.00 H new ATOM 773 N CYS A 51 -5.223 -0.163 -4.335 1.00 0.00 N ATOM 774 CA CYS A 51 -5.913 -1.006 -5.305 1.00 0.00 C ATOM 775 C CYS A 51 -5.134 -1.078 -6.614 1.00 0.00 C ATOM 776 O CYS A 51 -5.005 -2.146 -7.212 1.00 0.00 O ATOM 777 CB CYS A 51 -7.322 -0.472 -5.564 1.00 0.00 C ATOM 778 SG CYS A 51 -8.488 -0.779 -4.217 1.00 0.00 S ATOM 0 H CYS A 51 -5.811 0.547 -3.899 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.984 -2.012 -4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.265 0.602 -5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.709 -0.927 -6.476 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.034 0.343 -3.852 1.00 0.00 H new ATOM 784 N GLN A 52 -4.619 0.066 -7.054 1.00 0.00 N ATOM 785 CA GLN A 52 -3.855 0.132 -8.294 1.00 0.00 C ATOM 786 C GLN A 52 -2.676 -0.835 -8.260 1.00 0.00 C ATOM 787 O GLN A 52 -2.481 -1.626 -9.183 1.00 0.00 O ATOM 788 CB GLN A 52 -3.355 1.557 -8.534 1.00 0.00 C ATOM 789 CG GLN A 52 -4.459 2.601 -8.516 1.00 0.00 C ATOM 790 CD GLN A 52 -4.111 3.835 -9.326 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.083 4.473 -9.094 1.00 0.00 O ATOM 792 NE2 GLN A 52 -4.966 4.176 -10.282 1.00 0.00 N ATOM 0 H GLN A 52 -4.717 0.959 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.514 -0.157 -9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.617 1.807 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.845 1.597 -9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.376 2.161 -8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.661 2.893 -7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.805 3.618 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.784 4.996 -10.860 1.00 0.00 H new ATOM 801 N LEU A 53 -1.892 -0.765 -7.189 1.00 0.00 N ATOM 802 CA LEU A 53 -0.731 -1.635 -7.034 1.00 0.00 C ATOM 803 C LEU A 53 -1.039 -3.047 -7.520 1.00 0.00 C ATOM 804 O LEU A 53 -0.399 -3.551 -8.445 1.00 0.00 O ATOM 805 CB LEU A 53 -0.289 -1.672 -5.570 1.00 0.00 C ATOM 806 CG LEU A 53 0.794 -2.694 -5.222 1.00 0.00 C ATOM 807 CD1 LEU A 53 2.129 -2.283 -5.824 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.913 -2.851 -3.713 1.00 0.00 C ATOM 0 H LEU A 53 -2.039 -0.116 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 53 0.079 -1.231 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.073 -0.681 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.164 -1.875 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 53 0.509 -3.657 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.887 -3.022 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.036 -2.222 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.422 -1.310 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.688 -3.582 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.175 -1.892 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.039 -3.192 -3.306 1.00 0.00 H new ATOM 820 N LEU A 54 -2.024 -3.681 -6.893 1.00 0.00 N ATOM 821 CA LEU A 54 -2.419 -5.036 -7.264 1.00 0.00 C ATOM 822 C LEU A 54 -2.822 -5.103 -8.733 1.00 0.00 C ATOM 823 O LEU A 54 -2.492 -6.059 -9.434 1.00 0.00 O ATOM 824 CB LEU A 54 -3.578 -5.508 -6.384 1.00 0.00 C ATOM 825 CG LEU A 54 -3.370 -5.381 -4.874 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.581 -5.910 -4.121 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.109 -6.117 -4.445 1.00 0.00 C ATOM 0 H LEU A 54 -2.563 -3.279 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.563 -5.693 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.469 -4.942 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.781 -6.553 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.250 -4.325 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.414 -5.811 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.464 -5.338 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.734 -6.960 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.977 -6.016 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.199 -7.172 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.247 -5.691 -4.958 1.00 0.00 H new ATOM 839 N ASN A 55 -3.535 -4.081 -9.194 1.00 0.00 N ATOM 840 CA ASN A 55 -3.981 -4.023 -10.581 1.00 0.00 C ATOM 841 C ASN A 55 -2.792 -3.928 -11.531 1.00 0.00 C ATOM 842 O ASN A 55 -2.889 -4.292 -12.703 1.00 0.00 O ATOM 843 CB ASN A 55 -4.912 -2.827 -10.790 1.00 0.00 C ATOM 844 CG ASN A 55 -6.168 -2.917 -9.945 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.517 -3.986 -9.445 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.854 -1.792 -9.782 1.00 0.00 N ATOM 0 H ASN A 55 -3.816 -3.281 -8.627 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.526 -4.941 -10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.379 -1.908 -10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.189 -2.765 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.708 -1.792 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.527 -0.928 -10.215 1.00 0.00 H new ATOM 853 N ASN A 56 -1.669 -3.437 -11.018 1.00 0.00 N ATOM 854 CA ASN A 56 -0.459 -3.294 -11.821 1.00 0.00 C ATOM 855 C ASN A 56 0.272 -4.626 -11.944 1.00 0.00 C ATOM 856 O ASN A 56 0.738 -4.994 -13.024 1.00 0.00 O ATOM 857 CB ASN A 56 0.468 -2.245 -11.202 1.00 0.00 C ATOM 858 CG ASN A 56 0.177 -0.846 -11.709 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.175 -0.598 -12.915 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.068 0.078 -10.787 1.00 0.00 N ATOM 0 H ASN A 56 -1.571 -3.131 -10.050 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.751 -2.967 -12.819 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.362 -2.265 -10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.503 -2.502 -11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.268 1.038 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.056 -0.172 -9.798 1.00 0.00 H new ATOM 867 N LEU A 57 0.370 -5.346 -10.832 1.00 0.00 N ATOM 868 CA LEU A 57 1.045 -6.640 -10.814 1.00 0.00 C ATOM 869 C LEU A 57 0.230 -7.689 -11.564 1.00 0.00 C ATOM 870 O LEU A 57 0.735 -8.349 -12.472 1.00 0.00 O ATOM 871 CB LEU A 57 1.281 -7.095 -9.373 1.00 0.00 C ATOM 872 CG LEU A 57 1.858 -6.044 -8.424 1.00 0.00 C ATOM 873 CD1 LEU A 57 2.004 -6.615 -7.022 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.198 -5.539 -8.938 1.00 0.00 C ATOM 0 H LEU A 57 -0.009 -5.056 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 57 2.007 -6.527 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.333 -7.444 -8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.956 -7.951 -9.389 1.00 0.00 H new ATOM 0 HG LEU A 57 1.167 -5.202 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.416 -5.853 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.027 -6.927 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.674 -7.475 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.593 -4.792 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.897 -6.372 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.065 -5.091 -9.923 1.00 0.00 H new ATOM 886 N ARG A 58 -1.033 -7.836 -11.179 1.00 0.00 N ATOM 887 CA ARG A 58 -1.918 -8.804 -11.815 1.00 0.00 C ATOM 888 C ARG A 58 -3.083 -8.103 -12.508 1.00 0.00 C ATOM 889 O ARG A 58 -3.453 -6.987 -12.145 1.00 0.00 O ATOM 890 CB ARG A 58 -2.450 -9.798 -10.781 1.00 0.00 C ATOM 891 CG ARG A 58 -2.743 -11.175 -11.354 1.00 0.00 C ATOM 892 CD ARG A 58 -3.638 -11.984 -10.429 1.00 0.00 C ATOM 893 NE ARG A 58 -3.817 -13.354 -10.901 1.00 0.00 N ATOM 894 CZ ARG A 58 -4.673 -13.696 -11.858 1.00 0.00 C ATOM 895 NH1 ARG A 58 -5.423 -12.772 -12.442 1.00 0.00 N ATOM 896 NH2 ARG A 58 -4.779 -14.964 -12.234 1.00 0.00 N ATOM 0 H ARG A 58 -1.467 -7.297 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.343 -9.345 -12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.722 -9.896 -9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.362 -9.396 -10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.223 -11.071 -12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.807 -11.710 -11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.206 -11.999 -9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.610 -11.498 -10.349 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.254 -14.089 -10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.344 -11.796 -12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.079 -13.037 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.203 -15.678 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.437 -15.225 -12.969 1.00 0.00 H new ATOM 910 N ALA A 59 -3.656 -8.765 -13.507 1.00 0.00 N ATOM 911 CA ALA A 59 -4.779 -8.206 -14.250 1.00 0.00 C ATOM 912 C ALA A 59 -6.108 -8.608 -13.619 1.00 0.00 C ATOM 913 O ALA A 59 -6.239 -9.700 -13.066 1.00 0.00 O ATOM 914 CB ALA A 59 -4.725 -8.653 -15.703 1.00 0.00 C ATOM 0 H ALA A 59 -3.361 -9.690 -13.821 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.703 -7.119 -14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.569 -8.228 -16.246 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.794 -8.311 -16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.773 -9.741 -15.751 1.00 0.00 H new ATOM 920 N HIS A 60 -7.091 -7.718 -13.705 1.00 0.00 N ATOM 921 CA HIS A 60 -8.411 -7.980 -13.143 1.00 0.00 C ATOM 922 C HIS A 60 -8.326 -8.198 -11.635 1.00 0.00 C ATOM 923 O HIS A 60 -9.116 -8.946 -11.060 1.00 0.00 O ATOM 924 CB HIS A 60 -9.040 -9.203 -13.812 1.00 0.00 C ATOM 925 CG HIS A 60 -9.327 -9.007 -15.268 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.537 -8.545 -15.742 1.00 0.00 N ATOM 927 CD2 HIS A 60 -8.552 -9.212 -16.359 1.00 0.00 C ATOM 928 CE1 HIS A 60 -10.494 -8.476 -17.060 1.00 0.00 C ATOM 929 NE2 HIS A 60 -9.300 -8.875 -17.460 1.00 0.00 N ATOM 0 H HIS A 60 -6.999 -6.809 -14.158 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.038 -7.109 -13.332 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.372 -10.056 -13.693 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.968 -9.451 -13.297 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.534 -9.574 -16.363 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.299 -8.149 -17.702 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.985 -8.925 -18.429 1.00 0.00 H new ATOM 938 N SER A 61 -7.360 -7.540 -11.001 1.00 0.00 N ATOM 939 CA SER A 61 -7.169 -7.666 -9.561 1.00 0.00 C ATOM 940 C SER A 61 -8.216 -6.858 -8.800 1.00 0.00 C ATOM 941 O SER A 61 -8.771 -7.323 -7.804 1.00 0.00 O ATOM 942 CB SER A 61 -5.765 -7.199 -9.169 1.00 0.00 C ATOM 943 OG SER A 61 -4.798 -7.654 -10.100 1.00 0.00 O ATOM 0 H SER A 61 -6.698 -6.915 -11.462 1.00 0.00 H new ATOM 0 HA SER A 61 -7.283 -8.717 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.741 -6.110 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.519 -7.570 -8.174 1.00 0.00 H new ATOM 0 HG SER A 61 -4.747 -7.027 -10.852 1.00 0.00 H new ATOM 949 N ILE A 62 -8.481 -5.647 -9.278 1.00 0.00 N ATOM 950 CA ILE A 62 -9.462 -4.774 -8.645 1.00 0.00 C ATOM 951 C ILE A 62 -10.123 -3.857 -9.668 1.00 0.00 C ATOM 952 O ILE A 62 -9.471 -3.362 -10.586 1.00 0.00 O ATOM 953 CB ILE A 62 -8.821 -3.914 -7.540 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.044 -4.798 -6.562 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.886 -3.113 -6.807 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.457 -4.036 -5.394 1.00 0.00 C ATOM 0 H ILE A 62 -8.030 -5.248 -10.101 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.217 -5.420 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.123 -3.216 -8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.707 -5.575 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.239 -5.300 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.417 -2.510 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.399 -2.459 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.606 -3.794 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.920 -4.726 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.768 -3.277 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.259 -3.556 -4.833 1.00 0.00 H new ATOM 968 N ASN A 63 -11.423 -3.634 -9.502 1.00 0.00 N ATOM 969 CA ASN A 63 -12.173 -2.775 -10.410 1.00 0.00 C ATOM 970 C ASN A 63 -12.175 -1.331 -9.917 1.00 0.00 C ATOM 971 O ASN A 63 -12.796 -1.011 -8.902 1.00 0.00 O ATOM 972 CB ASN A 63 -13.611 -3.279 -10.552 1.00 0.00 C ATOM 973 CG ASN A 63 -14.463 -2.364 -11.410 1.00 0.00 C ATOM 974 OD1 ASN A 63 -13.971 -1.384 -11.970 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.748 -2.680 -11.517 1.00 0.00 N ATOM 0 H ASN A 63 -11.978 -4.036 -8.747 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.686 -2.807 -11.385 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.601 -4.277 -10.989 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.061 -3.368 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.370 -2.101 -12.081 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.113 -3.502 -11.035 1.00 0.00 H new ATOM 982 N LEU A 64 -11.477 -0.464 -10.641 1.00 0.00 N ATOM 983 CA LEU A 64 -11.398 0.947 -10.278 1.00 0.00 C ATOM 984 C LEU A 64 -12.785 1.516 -9.999 1.00 0.00 C ATOM 985 O LEU A 64 -12.962 2.339 -9.100 1.00 0.00 O ATOM 986 CB LEU A 64 -10.722 1.744 -11.395 1.00 0.00 C ATOM 987 CG LEU A 64 -9.286 1.343 -11.733 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.853 1.966 -13.050 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.341 1.750 -10.612 1.00 0.00 C ATOM 0 H LEU A 64 -10.957 -0.713 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.802 1.030 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.326 1.650 -12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.727 2.798 -11.116 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.247 0.259 -11.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.828 1.669 -13.273 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.512 1.624 -13.848 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.908 3.052 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.323 1.457 -10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.384 2.830 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.638 1.255 -9.688 1.00 0.00 H new ATOM 1001 N LYS A 65 -13.768 1.071 -10.774 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.142 1.533 -10.610 1.00 0.00 C ATOM 1003 C LYS A 65 -15.698 1.111 -9.253 1.00 0.00 C ATOM 1004 O LYS A 65 -16.463 1.847 -8.631 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.025 0.979 -11.730 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.523 1.315 -13.123 1.00 0.00 C ATOM 1007 CD LYS A 65 -15.659 2.799 -13.422 1.00 0.00 C ATOM 1008 CE LYS A 65 -17.101 3.176 -13.726 1.00 0.00 C ATOM 1009 NZ LYS A 65 -17.239 4.623 -14.051 1.00 0.00 N ATOM 0 H LYS A 65 -13.639 0.390 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.142 2.622 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.090 -0.104 -11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.035 1.371 -11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.478 1.019 -13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.084 0.741 -13.861 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.303 3.377 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.027 3.060 -14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.464 2.580 -14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.728 2.935 -12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.236 4.840 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.917 5.193 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.661 4.848 -14.886 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.308 -0.077 -8.802 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.768 -0.595 -7.519 1.00 0.00 C ATOM 1025 C GLU A 66 -15.184 0.214 -6.364 1.00 0.00 C ATOM 1026 O GLU A 66 -15.729 0.223 -5.260 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.382 -2.068 -7.370 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.325 -3.019 -8.088 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.373 -4.391 -7.442 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -15.417 -4.740 -6.719 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -17.367 -5.114 -7.660 1.00 0.00 O ATOM 0 H GLU A 66 -14.675 -0.698 -9.306 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.854 -0.507 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.372 -2.211 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.359 -2.324 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.328 -2.591 -8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.011 -3.121 -9.127 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.072 0.893 -6.628 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.415 1.705 -5.612 1.00 0.00 C ATOM 1040 C ILE A 67 -13.643 3.191 -5.864 1.00 0.00 C ATOM 1041 O ILE A 67 -13.560 3.658 -6.999 1.00 0.00 O ATOM 1042 CB ILE A 67 -11.900 1.430 -5.565 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.290 1.576 -6.961 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.631 0.041 -5.007 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -9.788 1.395 -6.986 1.00 0.00 C ATOM 0 H ILE A 67 -13.608 0.897 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.856 1.430 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.433 2.162 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.747 0.844 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.536 2.562 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.556 -0.138 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.036 -0.030 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.108 -0.705 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.424 1.512 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.321 2.144 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.535 0.399 -6.623 1.00 0.00 H new ATOM 1057 N ASN A 68 -13.929 3.930 -4.797 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.168 5.365 -4.902 1.00 0.00 C ATOM 1059 C ASN A 68 -12.894 6.100 -5.308 1.00 0.00 C ATOM 1060 O ASN A 68 -11.990 6.295 -4.495 1.00 0.00 O ATOM 1061 CB ASN A 68 -14.686 5.916 -3.572 1.00 0.00 C ATOM 1062 CG ASN A 68 -15.697 4.994 -2.919 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -16.876 4.995 -3.276 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -15.241 4.201 -1.957 1.00 0.00 N ATOM 0 H ASN A 68 -14.001 3.559 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.922 5.527 -5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.847 6.069 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.143 6.891 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.875 3.559 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.256 4.233 -1.693 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.832 9.631 5.175 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.568 8.537 6.103 1.00 0.00 C ATOM 1175 C GLN A 75 -15.217 7.244 5.619 1.00 0.00 C ATOM 1176 O GLN A 75 -14.529 6.287 5.264 1.00 0.00 O ATOM 1177 CB GLN A 75 -15.084 8.889 7.499 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.883 7.781 8.519 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.448 8.132 9.882 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -15.552 9.305 10.240 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.818 7.113 10.650 1.00 0.00 N ATOM 0 HA GLN A 75 -13.490 8.385 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.578 9.789 7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.146 9.125 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.358 6.869 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.818 7.570 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.714 6.156 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.206 7.288 11.577 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.546 7.223 5.608 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.288 6.047 5.169 1.00 0.00 C ATOM 1192 C PHE A 76 -16.666 5.450 3.910 1.00 0.00 C ATOM 1193 O PHE A 76 -16.508 4.234 3.798 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.751 6.409 4.907 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.428 7.055 6.081 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.623 6.352 7.259 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -19.871 8.366 6.007 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.246 6.943 8.341 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.494 8.963 7.087 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.683 8.251 8.255 1.00 0.00 C ATOM 0 H PHE A 76 -17.131 8.007 5.898 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.242 5.302 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.803 7.083 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.297 5.506 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.284 5.329 7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.728 8.927 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.391 6.383 9.253 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -20.833 9.986 7.017 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.171 8.715 9.099 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.316 6.314 2.964 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.711 5.874 1.711 1.00 0.00 C ATOM 1212 C LEU A 77 -14.281 5.395 1.935 1.00 0.00 C ATOM 1213 O LEU A 77 -13.993 4.202 1.840 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.726 7.011 0.688 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.105 7.548 0.301 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.972 8.708 -0.673 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -17.959 6.441 -0.298 1.00 0.00 C ATOM 0 H LEU A 77 -16.441 7.323 3.040 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.297 5.040 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.135 7.837 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.226 6.666 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.598 7.912 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.963 9.077 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.398 9.510 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.459 8.370 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.936 6.841 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.470 6.046 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.083 5.641 0.432 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.389 6.333 2.236 1.00 0.00 N ATOM 1230 CA CYS A 78 -11.988 6.006 2.476 1.00 0.00 C ATOM 1231 C CYS A 78 -11.854 4.647 3.154 1.00 0.00 C ATOM 1232 O CYS A 78 -11.120 3.776 2.685 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.331 7.086 3.337 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.082 8.661 2.484 1.00 0.00 S ATOM 0 H CYS A 78 -13.611 7.325 2.320 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.481 5.961 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -11.947 7.257 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.367 6.719 3.688 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.523 9.510 3.295 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.567 4.472 4.262 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.528 3.218 5.007 1.00 0.00 C ATOM 1242 C LEU A 79 -12.976 2.051 4.133 1.00 0.00 C ATOM 1243 O LEU A 79 -12.382 0.973 4.166 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.417 3.312 6.248 1.00 0.00 C ATOM 1245 CG LEU A 79 -12.789 3.973 7.475 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -13.832 4.178 8.563 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.629 3.137 7.997 1.00 0.00 C ATOM 0 H LEU A 79 -13.179 5.182 4.664 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.498 3.040 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.318 3.865 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.730 2.305 6.523 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.404 4.949 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.367 4.650 9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.630 4.818 8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.248 3.214 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.194 3.623 8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.990 2.147 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.871 3.042 7.220 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.026 2.274 3.350 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.552 1.243 2.463 1.00 0.00 C ATOM 1261 C LYS A 80 -13.496 0.801 1.455 1.00 0.00 C ATOM 1262 O LYS A 80 -13.159 -0.379 1.373 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.791 1.758 1.727 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.754 0.659 1.315 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.266 -0.075 0.077 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.672 0.649 -1.197 1.00 0.00 C ATOM 1267 NZ LYS A 80 -18.071 0.329 -1.595 1.00 0.00 N ATOM 0 H LYS A 80 -14.530 3.160 3.312 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.830 0.383 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.315 2.467 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.475 2.304 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.872 -0.049 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.737 1.089 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.181 -0.169 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.674 -1.086 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.573 1.725 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.993 0.373 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.310 0.842 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.160 -0.694 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.722 0.615 -0.836 1.00 0.00 H new ATOM 1281 N ASN A 81 -12.977 1.756 0.691 1.00 0.00 N ATOM 1282 CA ASN A 81 -11.958 1.465 -0.311 1.00 0.00 C ATOM 1283 C ASN A 81 -10.902 0.516 0.247 1.00 0.00 C ATOM 1284 O ASN A 81 -10.750 -0.610 -0.229 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.296 2.760 -0.787 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.041 3.398 -1.943 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -12.911 2.778 -2.554 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.701 4.645 -2.249 1.00 0.00 N ATOM 0 H ASN A 81 -13.245 2.739 0.746 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.445 0.981 -1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.245 3.465 0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.270 2.550 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.167 5.127 -3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.974 5.121 -1.715 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.175 0.978 1.260 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.135 0.169 1.884 1.00 0.00 C ATOM 1297 C ILE A 82 -9.535 -1.301 1.930 1.00 0.00 C ATOM 1298 O ILE A 82 -8.809 -2.168 1.442 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.830 0.652 3.314 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.346 2.103 3.294 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.792 -0.249 3.966 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.161 2.697 4.673 1.00 0.00 C ATOM 0 H ILE A 82 -10.287 1.907 1.665 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.239 0.279 1.273 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.747 0.603 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.400 2.155 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.062 2.709 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.586 0.105 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.172 -1.270 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.873 -0.228 3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.817 3.727 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.111 2.678 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.422 2.115 5.224 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.695 -1.575 2.517 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.193 -2.942 2.626 1.00 0.00 C ATOM 1316 C ARG A 83 -11.183 -3.634 1.266 1.00 0.00 C ATOM 1317 O ARG A 83 -10.784 -4.793 1.150 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.609 -2.947 3.203 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.659 -2.674 4.698 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.961 -1.997 5.097 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.125 -1.939 6.547 1.00 0.00 N ATOM 1322 CZ ARG A 83 -15.154 -1.350 7.147 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.105 -0.773 6.426 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -15.233 -1.339 8.472 1.00 0.00 N ATOM 0 H ARG A 83 -11.308 -0.869 2.925 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.533 -3.490 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.206 -2.196 2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.070 -3.914 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.553 -3.611 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.817 -2.043 4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.984 -0.987 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.800 -2.537 4.658 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.411 -2.374 7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.048 -0.780 5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.894 -0.322 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.504 -1.783 9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.023 -0.887 8.932 1.00 0.00 H new ATOM 1338 N THR A 84 -11.627 -2.915 0.239 1.00 0.00 N ATOM 1339 CA THR A 84 -11.671 -3.460 -1.112 1.00 0.00 C ATOM 1340 C THR A 84 -10.318 -4.031 -1.519 1.00 0.00 C ATOM 1341 O THR A 84 -10.240 -5.101 -2.123 1.00 0.00 O ATOM 1342 CB THR A 84 -12.093 -2.389 -2.136 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.351 -1.819 -1.757 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.200 -2.987 -3.531 1.00 0.00 C ATOM 0 H THR A 84 -11.961 -1.954 0.318 1.00 0.00 H new ATOM 0 HA THR A 84 -12.412 -4.259 -1.107 1.00 0.00 H new ATOM 0 HB THR A 84 -11.331 -1.610 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.612 -1.138 -2.412 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.499 -2.212 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.233 -3.394 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.944 -3.783 -3.529 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.252 -3.311 -1.185 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.900 -3.746 -1.517 1.00 0.00 C ATOM 1354 C PHE A 85 -7.507 -4.971 -0.696 1.00 0.00 C ATOM 1355 O PHE A 85 -6.904 -5.912 -1.214 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.902 -2.613 -1.272 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.507 -3.093 -0.992 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -5.103 -3.371 0.304 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.599 -3.265 -2.025 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.819 -3.813 0.565 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.315 -3.707 -1.770 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.924 -3.981 -0.473 1.00 0.00 C ATOM 0 H PHE A 85 -9.298 -2.423 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.881 -4.016 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.885 -1.960 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.246 -2.012 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.799 -3.241 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.898 -3.051 -3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.517 -4.027 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.617 -3.838 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.921 -4.326 -0.272 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.852 -4.952 0.586 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.535 -6.061 1.480 1.00 0.00 C ATOM 1374 C LEU A 86 -8.205 -7.348 1.010 1.00 0.00 C ATOM 1375 O LEU A 86 -7.693 -8.445 1.233 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.977 -5.734 2.907 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.405 -4.450 3.510 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -8.337 -3.900 4.579 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -6.020 -4.703 4.086 1.00 0.00 C ATOM 0 H LEU A 86 -8.351 -4.181 1.030 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.455 -6.209 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.065 -5.665 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.701 -6.569 3.552 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.317 -3.707 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.913 -2.987 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.309 -3.680 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.458 -4.639 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.628 -3.779 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.083 -5.462 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.355 -5.049 3.295 1.00 0.00 H new ATOM 1391 N THR A 87 -9.354 -7.207 0.356 1.00 0.00 N ATOM 1392 CA THR A 87 -10.094 -8.357 -0.146 1.00 0.00 C ATOM 1393 C THR A 87 -9.411 -8.959 -1.369 1.00 0.00 C ATOM 1394 O THR A 87 -9.289 -10.178 -1.487 1.00 0.00 O ATOM 1395 CB THR A 87 -11.540 -7.977 -0.515 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.159 -7.287 0.576 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.352 -9.215 -0.866 1.00 0.00 C ATOM 0 H THR A 87 -9.792 -6.307 0.162 1.00 0.00 H new ATOM 0 HA THR A 87 -10.114 -9.095 0.656 1.00 0.00 H new ATOM 0 HB THR A 87 -11.509 -7.323 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.727 -6.416 0.699 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.370 -8.922 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.895 -9.721 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.374 -9.890 -0.011 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.966 -8.096 -2.277 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.292 -8.543 -3.490 1.00 0.00 C ATOM 1407 C ALA A 88 -7.020 -9.316 -3.158 1.00 0.00 C ATOM 1408 O ALA A 88 -6.720 -10.334 -3.784 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.971 -7.355 -4.384 1.00 0.00 C ATOM 0 H ALA A 88 -9.060 -7.084 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.965 -9.214 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.468 -7.704 -5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.895 -6.846 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.320 -6.663 -3.850 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.276 -8.827 -2.172 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.035 -9.472 -1.758 1.00 0.00 C ATOM 1417 C CYS A 89 -5.280 -10.928 -1.374 1.00 0.00 C ATOM 1418 O CYS A 89 -4.363 -11.749 -1.398 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.413 -8.720 -0.581 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.446 -7.269 -1.061 1.00 0.00 S ATOM 0 H CYS A 89 -6.511 -7.986 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.344 -9.449 -2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.207 -8.406 0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.771 -9.404 -0.025 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.739 -6.274 -0.278 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.522 -11.240 -1.020 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.887 -12.596 -0.628 1.00 0.00 C ATOM 1428 C CYS A 90 -7.713 -13.273 -1.718 1.00 0.00 C ATOM 1429 O CYS A 90 -7.828 -14.498 -1.752 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.672 -12.576 0.685 1.00 0.00 C ATOM 1431 SG CYS A 90 -6.767 -11.856 2.074 1.00 0.00 S ATOM 0 H CYS A 90 -7.293 -10.572 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.969 -13.166 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.594 -12.015 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -7.958 -13.596 0.941 1.00 0.00 H new ATOM 0 HG CYS A 90 -5.789 -12.644 2.410 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.287 -12.466 -2.605 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.104 -12.988 -3.694 1.00 0.00 C ATOM 1439 C GLU A 91 -8.276 -13.152 -4.965 1.00 0.00 C ATOM 1440 O GLU A 91 -8.174 -14.248 -5.517 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.290 -12.059 -3.961 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.244 -11.936 -2.785 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.348 -12.976 -2.818 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.096 -14.121 -2.388 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.463 -12.644 -3.273 1.00 0.00 O ATOM 0 H GLU A 91 -8.201 -11.450 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.478 -13.967 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.914 -11.069 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.840 -12.426 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.684 -12.036 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.688 -10.940 -2.784 1.00 0.00 H new ATOM 1452 N THR A 92 -7.686 -12.054 -5.426 1.00 0.00 N ATOM 1453 CA THR A 92 -6.868 -12.074 -6.632 1.00 0.00 C ATOM 1454 C THR A 92 -5.574 -12.848 -6.407 1.00 0.00 C ATOM 1455 O THR A 92 -5.220 -13.727 -7.193 1.00 0.00 O ATOM 1456 CB THR A 92 -6.524 -10.648 -7.102 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.726 -9.909 -7.345 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.680 -10.684 -8.367 1.00 0.00 C ATOM 0 H THR A 92 -7.760 -11.139 -4.982 1.00 0.00 H new ATOM 0 HA THR A 92 -7.456 -12.571 -7.403 1.00 0.00 H new ATOM 0 HB THR A 92 -5.950 -10.158 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.001 -9.452 -6.523 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.450 -9.666 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.753 -11.222 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.232 -11.190 -9.159 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.873 -12.518 -5.328 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.617 -13.183 -4.999 1.00 0.00 C ATOM 1468 C PHE A 93 -3.861 -14.389 -4.097 1.00 0.00 C ATOM 1469 O PHE A 93 -3.604 -15.528 -4.483 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.662 -12.204 -4.314 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.121 -11.149 -5.236 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -2.949 -10.156 -5.735 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.786 -11.150 -5.604 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.455 -9.183 -6.584 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.286 -10.180 -6.452 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.122 -9.196 -6.944 1.00 0.00 C ATOM 0 H PHE A 93 -5.153 -11.794 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.164 -13.532 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.182 -11.720 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.830 -12.761 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.993 -10.142 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.128 -11.918 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.111 -8.414 -6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.758 -10.191 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.734 -8.439 -7.609 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.358 -14.128 -2.891 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.627 -15.202 -1.952 1.00 0.00 C ATOM 1488 C GLY A 94 -3.665 -15.202 -0.780 1.00 0.00 C ATOM 1489 O GLY A 94 -3.034 -16.216 -0.488 1.00 0.00 O ATOM 0 H GLY A 94 -4.579 -13.193 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.647 -15.109 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.563 -16.159 -2.471 1.00 0.00 H new ATOM 1493 N MET A 95 -3.552 -14.060 -0.110 1.00 0.00 N ATOM 1494 CA MET A 95 -2.659 -13.933 1.037 1.00 0.00 C ATOM 1495 C MET A 95 -3.403 -14.211 2.339 1.00 0.00 C ATOM 1496 O MET A 95 -4.632 -14.291 2.358 1.00 0.00 O ATOM 1497 CB MET A 95 -2.043 -12.533 1.077 1.00 0.00 C ATOM 1498 CG MET A 95 -0.768 -12.407 0.259 1.00 0.00 C ATOM 1499 SD MET A 95 -0.488 -10.728 -0.336 1.00 0.00 S ATOM 1500 CE MET A 95 0.152 -9.947 1.143 1.00 0.00 C ATOM 0 H MET A 95 -4.067 -13.210 -0.341 1.00 0.00 H new ATOM 0 HA MET A 95 -1.863 -14.670 0.930 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.774 -11.813 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.828 -12.269 2.112 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.081 -12.719 0.867 1.00 0.00 H new ATOM 0 HG3 MET A 95 -0.818 -13.086 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.424 -8.915 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.611 -9.962 1.922 1.00 0.00 H new ATOM 0 HE3 MET A 95 1.033 -10.488 1.488 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.651 -14.359 3.425 1.00 0.00 N ATOM 1511 CA ARG A 96 -3.240 -14.630 4.730 1.00 0.00 C ATOM 1512 C ARG A 96 -3.808 -13.355 5.346 1.00 0.00 C ATOM 1513 O ARG A 96 -3.101 -12.359 5.503 1.00 0.00 O ATOM 1514 CB ARG A 96 -2.196 -15.241 5.667 1.00 0.00 C ATOM 1515 CG ARG A 96 -2.095 -16.754 5.563 1.00 0.00 C ATOM 1516 CD ARG A 96 -3.284 -17.438 6.218 1.00 0.00 C ATOM 1517 NE ARG A 96 -2.990 -18.824 6.574 1.00 0.00 N ATOM 1518 CZ ARG A 96 -2.899 -19.808 5.686 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -3.078 -19.559 4.396 1.00 0.00 N ATOM 1520 NH2 ARG A 96 -2.628 -21.043 6.088 1.00 0.00 N ATOM 0 H ARG A 96 -1.633 -14.296 3.426 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.055 -15.340 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.222 -14.804 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.440 -14.971 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.039 -17.045 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.173 -17.092 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.571 -16.887 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.137 -17.411 5.540 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.847 -19.049 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.286 -18.611 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.008 -20.316 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.489 -21.238 7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.558 -21.798 5.405 1.00 0.00 H new ATOM 1534 N LYS A 97 -5.090 -13.392 5.693 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.754 -12.240 6.293 1.00 0.00 C ATOM 1536 C LYS A 97 -5.217 -11.971 7.695 1.00 0.00 C ATOM 1537 O LYS A 97 -5.447 -10.904 8.263 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.266 -12.471 6.351 1.00 0.00 C ATOM 1539 CG LYS A 97 -8.078 -11.187 6.334 1.00 0.00 C ATOM 1540 CD LYS A 97 -9.567 -11.468 6.452 1.00 0.00 C ATOM 1541 CE LYS A 97 -10.396 -10.283 5.980 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.628 -10.319 4.509 1.00 0.00 N ATOM 0 H LYS A 97 -5.690 -14.207 5.569 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.548 -11.369 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.563 -13.090 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.505 -13.031 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.762 -10.544 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.881 -10.643 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.820 -12.349 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.814 -11.697 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.355 -10.281 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.888 -9.356 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.196 -9.495 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.714 -10.296 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.135 -11.192 4.259 1.00 0.00 H new ATOM 1556 N SER A 98 -4.499 -12.944 8.245 1.00 0.00 N ATOM 1557 CA SER A 98 -3.930 -12.812 9.582 1.00 0.00 C ATOM 1558 C SER A 98 -2.693 -11.920 9.560 1.00 0.00 C ATOM 1559 O SER A 98 -2.158 -11.558 10.607 1.00 0.00 O ATOM 1560 CB SER A 98 -3.570 -14.189 10.144 1.00 0.00 C ATOM 1561 OG SER A 98 -3.128 -14.092 11.487 1.00 0.00 O ATOM 0 H SER A 98 -4.297 -13.832 7.786 1.00 0.00 H new ATOM 0 HA SER A 98 -4.679 -12.349 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.438 -14.846 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.789 -14.642 9.533 1.00 0.00 H new ATOM 0 HG SER A 98 -2.743 -13.204 11.641 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.244 -11.570 8.359 1.00 0.00 N ATOM 1568 CA GLU A 99 -1.070 -10.720 8.200 1.00 0.00 C ATOM 1569 C GLU A 99 -1.465 -9.332 7.705 1.00 0.00 C ATOM 1570 O GLU A 99 -0.797 -8.341 8.003 1.00 0.00 O ATOM 1571 CB GLU A 99 -0.079 -11.359 7.224 1.00 0.00 C ATOM 1572 CG GLU A 99 -0.296 -10.943 5.779 1.00 0.00 C ATOM 1573 CD GLU A 99 0.312 -11.922 4.793 1.00 0.00 C ATOM 1574 OE1 GLU A 99 1.002 -12.863 5.239 1.00 0.00 O ATOM 1575 OE2 GLU A 99 0.097 -11.747 3.575 1.00 0.00 O ATOM 0 H GLU A 99 -2.675 -11.862 7.482 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.594 -10.616 9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.935 -11.092 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.158 -12.444 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.365 -10.856 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.138 -9.956 5.620 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.554 -9.268 6.948 1.00 0.00 N ATOM 1583 CA LEU A 100 -3.040 -8.002 6.410 1.00 0.00 C ATOM 1584 C LEU A 100 -3.250 -6.982 7.525 1.00 0.00 C ATOM 1585 O LEU A 100 -3.368 -7.343 8.696 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.348 -8.217 5.647 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.276 -9.160 4.445 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.638 -9.281 3.779 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.234 -8.675 3.448 1.00 0.00 C ATOM 0 H LEU A 100 -3.118 -10.079 6.692 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.287 -7.614 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.092 -8.604 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.708 -7.248 5.302 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.979 -10.147 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.567 -9.956 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.359 -9.675 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.965 -8.299 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.197 -9.358 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.501 -7.677 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.257 -8.642 3.930 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.299 -5.708 7.152 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.497 -4.635 8.120 1.00 0.00 C ATOM 1603 C PHE A 101 -4.979 -4.300 8.265 1.00 0.00 C ATOM 1604 O PHE A 101 -5.798 -4.696 7.437 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.719 -3.387 7.697 1.00 0.00 C ATOM 1606 CG PHE A 101 -3.129 -2.852 6.355 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -4.199 -1.979 6.240 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.445 -3.221 5.208 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.579 -1.484 5.007 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.820 -2.729 3.972 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.889 -1.860 3.871 1.00 0.00 C ATOM 0 H PHE A 101 -3.204 -5.393 6.187 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.124 -4.977 9.085 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.859 -2.609 8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.655 -3.622 7.676 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.743 -1.682 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.609 -3.901 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.415 -0.804 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.278 -3.024 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.185 -1.475 2.906 1.00 0.00 H new ATOM 1621 N GLU A 102 -5.313 -3.567 9.323 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.695 -3.180 9.577 1.00 0.00 C ATOM 1623 C GLU A 102 -7.031 -1.869 8.872 1.00 0.00 C ATOM 1624 O GLU A 102 -6.247 -0.921 8.895 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.941 -3.041 11.081 1.00 0.00 C ATOM 1626 CG GLU A 102 -8.372 -2.669 11.432 1.00 0.00 C ATOM 1627 CD GLU A 102 -9.357 -3.778 11.114 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -9.287 -4.840 11.768 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -10.198 -3.583 10.212 1.00 0.00 O ATOM 0 H GLU A 102 -4.646 -3.230 10.017 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.343 -3.962 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.689 -3.982 11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.269 -2.283 11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.431 -2.429 12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.654 -1.769 10.885 1.00 0.00 H new ATOM 1636 N ALA A 103 -8.203 -1.824 8.246 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.644 -0.630 7.535 1.00 0.00 C ATOM 1638 C ALA A 103 -8.350 0.629 8.343 1.00 0.00 C ATOM 1639 O ALA A 103 -7.805 1.602 7.819 1.00 0.00 O ATOM 1640 CB ALA A 103 -10.130 -0.722 7.220 1.00 0.00 C ATOM 0 H ALA A 103 -8.864 -2.600 8.217 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.089 -0.568 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.446 0.176 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.316 -1.596 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.694 -0.812 8.148 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.714 0.606 9.621 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.491 1.747 10.501 1.00 0.00 C ATOM 1648 C PHE A 104 -6.999 2.030 10.657 1.00 0.00 C ATOM 1649 O PHE A 104 -6.537 3.142 10.401 1.00 0.00 O ATOM 1650 CB PHE A 104 -9.119 1.492 11.872 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.420 2.749 12.637 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.502 3.543 12.292 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.622 3.136 13.701 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.782 4.701 12.994 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.897 4.292 14.407 1.00 0.00 C ATOM 1656 CZ PHE A 104 -9.978 5.076 14.052 1.00 0.00 C ATOM 0 H PHE A 104 -9.165 -0.191 10.070 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.964 2.619 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.042 0.927 11.741 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.445 0.870 12.461 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.134 3.254 11.465 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.775 2.527 13.982 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.628 5.311 12.715 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.268 4.582 15.235 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.194 5.981 14.601 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.253 1.016 11.079 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.813 1.153 11.270 1.00 0.00 C ATOM 1668 C ASP A 105 -4.205 2.043 10.190 1.00 0.00 C ATOM 1669 O ASP A 105 -3.236 2.763 10.437 1.00 0.00 O ATOM 1670 CB ASP A 105 -4.141 -0.221 11.254 1.00 0.00 C ATOM 1671 CG ASP A 105 -2.641 -0.129 11.055 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -1.917 0.010 12.063 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -2.191 -0.196 9.892 1.00 0.00 O ATOM 0 H ASP A 105 -6.621 0.090 11.296 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.643 1.620 12.240 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.349 -0.735 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.574 -0.825 10.457 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.778 1.988 8.993 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.292 2.789 7.875 1.00 0.00 C ATOM 1680 C LEU A 106 -4.990 4.145 7.832 1.00 0.00 C ATOM 1681 O LEU A 106 -4.343 5.183 7.694 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.514 2.046 6.556 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.071 2.780 5.290 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.598 2.523 5.012 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.922 2.355 4.102 1.00 0.00 C ATOM 0 H LEU A 106 -5.580 1.397 8.772 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.224 2.956 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.984 1.094 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.576 1.816 6.466 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.209 3.850 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.301 3.053 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.002 2.877 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.434 1.454 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.593 2.887 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.816 1.282 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.967 2.591 4.300 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.313 4.128 7.952 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.099 5.356 7.928 1.00 0.00 C ATOM 1699 C PHE A 107 -6.540 6.378 8.914 1.00 0.00 C ATOM 1700 O PHE A 107 -6.053 7.437 8.517 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.562 5.057 8.261 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.494 6.190 7.939 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.445 6.814 6.703 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.419 6.631 8.871 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.300 7.858 6.404 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.277 7.673 8.578 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.219 8.287 7.342 1.00 0.00 C ATOM 0 H PHE A 107 -6.864 3.277 8.067 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.041 5.776 6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.877 4.170 7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.644 4.820 9.322 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.731 6.481 5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.470 6.154 9.839 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.250 8.338 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.993 8.007 9.315 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.890 9.100 7.110 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.615 6.053 10.200 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.117 6.942 11.243 1.00 0.00 C ATOM 1719 C ASP A 108 -4.592 6.955 11.264 1.00 0.00 C ATOM 1720 O ASP A 108 -3.977 7.695 12.031 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.654 6.512 12.609 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.845 7.684 13.552 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.835 8.425 13.382 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -6.004 7.859 14.458 1.00 0.00 O ATOM 0 H ASP A 108 -7.016 5.181 10.545 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.468 7.950 11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.606 5.998 12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.965 5.797 13.058 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.987 6.130 10.415 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.533 6.046 10.335 1.00 0.00 C ATOM 1731 C VAL A 109 -1.931 5.658 11.681 1.00 0.00 C ATOM 1732 O VAL A 109 -0.974 6.279 12.146 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.918 7.380 9.875 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.552 7.151 9.247 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.849 8.088 8.902 1.00 0.00 C ATOM 0 H VAL A 109 -4.481 5.510 9.773 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.300 5.275 9.600 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.787 8.019 10.748 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.133 8.106 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.112 6.690 9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.654 6.493 8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.399 9.029 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.014 7.455 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.803 8.288 9.391 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.496 4.628 12.302 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.015 4.158 13.596 1.00 0.00 C ATOM 1747 C ARG A 110 -0.652 3.486 13.457 1.00 0.00 C ATOM 1748 O ARG A 110 0.372 4.049 13.844 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.018 3.182 14.213 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.420 3.752 14.345 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.618 4.438 15.687 1.00 0.00 C ATOM 1752 NE ARG A 110 -3.984 5.753 15.728 1.00 0.00 N ATOM 1753 CZ ARG A 110 -3.855 6.473 16.838 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -4.312 6.006 17.991 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -3.266 7.661 16.794 1.00 0.00 N ATOM 0 H ARG A 110 -3.287 4.103 11.930 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.909 5.022 14.253 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.058 2.280 13.602 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.662 2.883 15.199 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.601 4.465 13.541 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.151 2.952 14.233 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.684 4.543 15.886 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.206 3.812 16.478 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.620 6.140 14.857 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.764 5.092 18.028 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.212 6.560 18.841 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.912 8.022 15.908 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.167 8.213 17.646 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.648 2.278 12.904 1.00 0.00 N ATOM 1770 CA ASP A 111 0.588 1.528 12.713 1.00 0.00 C ATOM 1771 C ASP A 111 0.855 1.288 11.231 1.00 0.00 C ATOM 1772 O ASP A 111 0.355 0.327 10.647 1.00 0.00 O ATOM 1773 CB ASP A 111 0.518 0.192 13.455 1.00 0.00 C ATOM 1774 CG ASP A 111 1.884 -0.302 13.888 1.00 0.00 C ATOM 1775 OD1 ASP A 111 2.837 -0.191 13.088 1.00 0.00 O ATOM 1776 OD2 ASP A 111 2.001 -0.798 15.028 1.00 0.00 O ATOM 0 H ASP A 111 -1.487 1.797 12.580 1.00 0.00 H new ATOM 0 HA ASP A 111 1.409 2.118 13.120 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.121 0.300 14.332 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.052 -0.554 12.811 1.00 0.00 H new ATOM 1781 N PHE A 112 1.647 2.169 10.628 1.00 0.00 N ATOM 1782 CA PHE A 112 1.979 2.055 9.212 1.00 0.00 C ATOM 1783 C PHE A 112 2.867 0.840 8.959 1.00 0.00 C ATOM 1784 O PHE A 112 2.766 0.189 7.920 1.00 0.00 O ATOM 1785 CB PHE A 112 2.682 3.324 8.728 1.00 0.00 C ATOM 1786 CG PHE A 112 2.761 3.432 7.231 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.636 3.223 6.449 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.958 3.743 6.608 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.706 3.320 5.072 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.034 3.842 5.231 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.906 3.632 4.462 1.00 0.00 C ATOM 0 H PHE A 112 2.071 2.969 11.097 1.00 0.00 H new ATOM 0 HA PHE A 112 1.051 1.928 8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.155 4.194 9.120 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.691 3.351 9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.695 2.982 6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.843 3.910 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.823 3.152 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.974 4.083 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.962 3.711 3.386 1.00 0.00 H new ATOM 1801 N GLY A 113 3.738 0.540 9.918 1.00 0.00 N ATOM 1802 CA GLY A 113 4.632 -0.595 9.780 1.00 0.00 C ATOM 1803 C GLY A 113 3.898 -1.870 9.414 1.00 0.00 C ATOM 1804 O GLY A 113 4.437 -2.727 8.713 1.00 0.00 O ATOM 0 H GLY A 113 3.840 1.063 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.377 -0.376 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.171 -0.745 10.716 1.00 0.00 H new ATOM 1808 N LYS A 114 2.664 -1.997 9.890 1.00 0.00 N ATOM 1809 CA LYS A 114 1.854 -3.177 9.610 1.00 0.00 C ATOM 1810 C LYS A 114 1.453 -3.225 8.139 1.00 0.00 C ATOM 1811 O LYS A 114 1.395 -4.296 7.536 1.00 0.00 O ATOM 1812 CB LYS A 114 0.603 -3.182 10.492 1.00 0.00 C ATOM 1813 CG LYS A 114 0.826 -3.799 11.862 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.464 -3.864 12.661 1.00 0.00 C ATOM 1815 CE LYS A 114 -1.221 -5.156 12.393 1.00 0.00 C ATOM 1816 NZ LYS A 114 -1.914 -5.129 11.074 1.00 0.00 N ATOM 0 H LYS A 114 2.203 -1.297 10.472 1.00 0.00 H new ATOM 0 HA LYS A 114 2.452 -4.060 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.253 -2.157 10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.189 -3.729 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.235 -4.803 11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.565 -3.214 12.410 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.239 -3.787 13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.094 -3.012 12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.527 -5.996 12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.952 -5.319 13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.780 -5.703 11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.162 -4.148 10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.284 -5.517 10.343 1.00 0.00 H new ATOM 1830 N VAL A 115 1.178 -2.057 7.567 1.00 0.00 N ATOM 1831 CA VAL A 115 0.785 -1.966 6.166 1.00 0.00 C ATOM 1832 C VAL A 115 1.977 -2.199 5.245 1.00 0.00 C ATOM 1833 O VAL A 115 1.835 -2.767 4.161 1.00 0.00 O ATOM 1834 CB VAL A 115 0.163 -0.594 5.846 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.415 -0.584 4.439 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.903 -0.240 6.871 1.00 0.00 C ATOM 0 H VAL A 115 1.220 -1.161 8.052 1.00 0.00 H new ATOM 0 HA VAL A 115 0.040 -2.743 5.995 1.00 0.00 H new ATOM 0 HB VAL A 115 0.948 0.161 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.850 0.394 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.377 -0.789 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.187 -1.349 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.332 0.733 6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.688 -0.996 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.455 -0.202 7.864 1.00 0.00 H new ATOM 1846 N ILE A 116 3.151 -1.758 5.682 1.00 0.00 N ATOM 1847 CA ILE A 116 4.368 -1.920 4.898 1.00 0.00 C ATOM 1848 C ILE A 116 4.736 -3.393 4.751 1.00 0.00 C ATOM 1849 O ILE A 116 4.952 -3.882 3.643 1.00 0.00 O ATOM 1850 CB ILE A 116 5.552 -1.168 5.533 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.200 0.308 5.730 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.796 -1.310 4.668 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.358 1.144 6.230 1.00 0.00 C ATOM 0 H ILE A 116 3.285 -1.285 6.576 1.00 0.00 H new ATOM 0 HA ILE A 116 4.167 -1.498 3.913 1.00 0.00 H new ATOM 0 HB ILE A 116 5.760 -1.607 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.848 0.719 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.375 0.385 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.624 -0.773 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.055 -2.365 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.601 -0.894 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.036 2.179 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.696 0.759 7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.177 1.098 5.512 1.00 0.00 H new ATOM 1865 N GLU A 117 4.804 -4.095 5.878 1.00 0.00 N ATOM 1866 CA GLU A 117 5.144 -5.513 5.875 1.00 0.00 C ATOM 1867 C GLU A 117 4.289 -6.275 4.867 1.00 0.00 C ATOM 1868 O GLU A 117 4.800 -7.069 4.076 1.00 0.00 O ATOM 1869 CB GLU A 117 4.958 -6.108 7.272 1.00 0.00 C ATOM 1870 CG GLU A 117 5.568 -7.491 7.431 1.00 0.00 C ATOM 1871 CD GLU A 117 7.084 -7.459 7.468 1.00 0.00 C ATOM 1872 OE1 GLU A 117 7.647 -7.259 8.564 1.00 0.00 O ATOM 1873 OE2 GLU A 117 7.706 -7.635 6.399 1.00 0.00 O ATOM 0 H GLU A 117 4.628 -3.705 6.804 1.00 0.00 H new ATOM 0 HA GLU A 117 6.190 -5.609 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.404 -5.437 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.893 -6.162 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.195 -7.945 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.242 -8.125 6.607 1.00 0.00 H new ATOM 1880 N THR A 118 2.983 -6.029 4.902 1.00 0.00 N ATOM 1881 CA THR A 118 2.056 -6.693 3.994 1.00 0.00 C ATOM 1882 C THR A 118 2.621 -6.756 2.580 1.00 0.00 C ATOM 1883 O THR A 118 2.564 -7.796 1.923 1.00 0.00 O ATOM 1884 CB THR A 118 0.693 -5.975 3.959 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.224 -5.749 5.293 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.330 -6.794 3.188 1.00 0.00 C ATOM 0 H THR A 118 2.543 -5.375 5.549 1.00 0.00 H new ATOM 0 HA THR A 118 1.915 -7.706 4.371 1.00 0.00 H new ATOM 0 HB THR A 118 0.824 -5.018 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.756 -5.754 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.284 -6.267 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.016 -6.939 2.165 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.457 -7.764 3.669 1.00 0.00 H new ATOM 1894 N LEU A 119 3.166 -5.637 2.116 1.00 0.00 N ATOM 1895 CA LEU A 119 3.743 -5.565 0.778 1.00 0.00 C ATOM 1896 C LEU A 119 5.025 -6.387 0.693 1.00 0.00 C ATOM 1897 O LEU A 119 5.372 -6.907 -0.367 1.00 0.00 O ATOM 1898 CB LEU A 119 4.031 -4.110 0.403 1.00 0.00 C ATOM 1899 CG LEU A 119 2.937 -3.099 0.749 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.445 -1.678 0.560 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.699 -3.341 -0.101 1.00 0.00 C ATOM 0 H LEU A 119 3.221 -4.767 2.646 1.00 0.00 H new ATOM 0 HA LEU A 119 3.020 -5.979 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.952 -3.803 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.216 -4.062 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 119 2.666 -3.230 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.653 -0.972 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.302 -1.508 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.744 -1.534 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.931 -2.612 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.956 -3.237 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.322 -4.347 0.083 1.00 0.00 H new ATOM 1913 N SER A 120 5.725 -6.501 1.818 1.00 0.00 N ATOM 1914 CA SER A 120 6.969 -7.259 1.870 1.00 0.00 C ATOM 1915 C SER A 120 6.729 -8.723 1.516 1.00 0.00 C ATOM 1916 O SER A 120 7.598 -9.387 0.950 1.00 0.00 O ATOM 1917 CB SER A 120 7.596 -7.155 3.262 1.00 0.00 C ATOM 1918 OG SER A 120 7.816 -5.802 3.622 1.00 0.00 O ATOM 0 H SER A 120 5.451 -6.078 2.705 1.00 0.00 H new ATOM 0 HA SER A 120 7.655 -6.834 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.943 -7.628 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.541 -7.698 3.280 1.00 0.00 H new ATOM 0 HG SER A 120 8.216 -5.762 4.516 1.00 0.00 H new ATOM 1924 N ARG A 121 5.544 -9.220 1.854 1.00 0.00 N ATOM 1925 CA ARG A 121 5.189 -10.606 1.574 1.00 0.00 C ATOM 1926 C ARG A 121 4.596 -10.743 0.174 1.00 0.00 C ATOM 1927 O ARG A 121 4.948 -11.657 -0.574 1.00 0.00 O ATOM 1928 CB ARG A 121 4.191 -11.120 2.614 1.00 0.00 C ATOM 1929 CG ARG A 121 4.599 -10.822 4.048 1.00 0.00 C ATOM 1930 CD ARG A 121 3.585 -11.370 5.040 1.00 0.00 C ATOM 1931 NE ARG A 121 3.870 -12.754 5.406 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.904 -13.118 6.157 1.00 0.00 C ATOM 1933 NH1 ARG A 121 5.746 -12.204 6.620 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.096 -14.399 6.447 1.00 0.00 N ATOM 0 H ARG A 121 4.813 -8.684 2.322 1.00 0.00 H new ATOM 0 HA ARG A 121 6.098 -11.205 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.216 -10.672 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.076 -12.197 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.578 -11.259 4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.697 -9.745 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.584 -10.751 5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.586 -11.308 4.609 1.00 0.00 H new ATOM 0 HE ARG A 121 3.241 -13.482 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.601 -11.219 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.539 -12.486 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.450 -15.104 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.890 -14.678 7.024 1.00 0.00 H new ATOM 1948 N LEU A 122 3.696 -9.830 -0.173 1.00 0.00 N ATOM 1949 CA LEU A 122 3.054 -9.849 -1.483 1.00 0.00 C ATOM 1950 C LEU A 122 4.082 -10.055 -2.591 1.00 0.00 C ATOM 1951 O LEU A 122 3.966 -10.981 -3.394 1.00 0.00 O ATOM 1952 CB LEU A 122 2.290 -8.544 -1.717 1.00 0.00 C ATOM 1953 CG LEU A 122 1.821 -8.289 -3.150 1.00 0.00 C ATOM 1954 CD1 LEU A 122 1.170 -9.535 -3.729 1.00 0.00 C ATOM 1955 CD2 LEU A 122 0.858 -7.112 -3.194 1.00 0.00 C ATOM 0 H LEU A 122 3.394 -9.068 0.434 1.00 0.00 H new ATOM 0 HA LEU A 122 2.353 -10.683 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.418 -8.535 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.927 -7.714 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 122 2.691 -8.044 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.843 -9.334 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.890 -10.353 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.310 -9.812 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.534 -6.945 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.010 -7.328 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.358 -6.218 -2.821 1.00 0.00 H new ATOM 1967 N SER A 123 5.089 -9.188 -2.626 1.00 0.00 N ATOM 1968 CA SER A 123 6.137 -9.275 -3.636 1.00 0.00 C ATOM 1969 C SER A 123 6.522 -10.728 -3.896 1.00 0.00 C ATOM 1970 O SER A 123 6.692 -11.140 -5.044 1.00 0.00 O ATOM 1971 CB SER A 123 7.367 -8.480 -3.193 1.00 0.00 C ATOM 1972 OG SER A 123 8.025 -9.119 -2.112 1.00 0.00 O ATOM 0 H SER A 123 5.201 -8.418 -1.967 1.00 0.00 H new ATOM 0 HA SER A 123 5.752 -8.849 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.056 -8.374 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.067 -7.475 -2.897 1.00 0.00 H new ATOM 0 HG SER A 123 7.547 -8.927 -1.278 1.00 0.00 H new ATOM 1978 N ARG A 124 6.659 -11.499 -2.822 1.00 0.00 N ATOM 1979 CA ARG A 124 7.025 -12.905 -2.933 1.00 0.00 C ATOM 1980 C ARG A 124 6.192 -13.601 -4.006 1.00 0.00 C ATOM 1981 O ARG A 124 6.714 -14.377 -4.807 1.00 0.00 O ATOM 1982 CB ARG A 124 6.837 -13.611 -1.589 1.00 0.00 C ATOM 1983 CG ARG A 124 7.648 -12.996 -0.460 1.00 0.00 C ATOM 1984 CD ARG A 124 7.186 -13.504 0.897 1.00 0.00 C ATOM 1985 NE ARG A 124 7.212 -14.962 0.974 1.00 0.00 N ATOM 1986 CZ ARG A 124 7.196 -15.639 2.117 1.00 0.00 C ATOM 1987 NH1 ARG A 124 7.155 -14.992 3.273 1.00 0.00 N ATOM 1988 NH2 ARG A 124 7.222 -16.965 2.104 1.00 0.00 N ATOM 0 H ARG A 124 6.522 -11.173 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 124 8.075 -12.959 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.781 -13.588 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.116 -14.659 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.703 -13.231 -0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.557 -11.910 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 124 7.825 -13.089 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.174 -13.149 1.092 1.00 0.00 H new ATOM 0 HE ARG A 124 7.244 -15.490 0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.136 -13.972 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 124 7.143 -15.514 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.254 -17.466 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.210 -17.484 2.982 1.00 0.00 H new ATOM 2002 N THR A 125 4.893 -13.319 -4.015 1.00 0.00 N ATOM 2003 CA THR A 125 3.988 -13.918 -4.988 1.00 0.00 C ATOM 2004 C THR A 125 4.638 -14.006 -6.363 1.00 0.00 C ATOM 2005 O THR A 125 5.475 -13.183 -6.735 1.00 0.00 O ATOM 2006 CB THR A 125 2.677 -13.116 -5.103 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.953 -11.789 -5.563 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.961 -13.055 -3.762 1.00 0.00 C ATOM 0 H THR A 125 4.444 -12.679 -3.359 1.00 0.00 H new ATOM 0 HA THR A 125 3.761 -14.923 -4.632 1.00 0.00 H new ATOM 0 HB THR A 125 2.030 -13.621 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.413 -11.287 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.039 -12.484 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.726 -14.066 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.605 -12.571 -3.027 1.00 0.00 H new ATOM 2016 N PRO A 126 4.246 -15.028 -7.139 1.00 0.00 N ATOM 2017 CA PRO A 126 4.779 -15.247 -8.487 1.00 0.00 C ATOM 2018 C PRO A 126 4.308 -14.186 -9.476 1.00 0.00 C ATOM 2019 O PRO A 126 4.765 -14.143 -10.619 1.00 0.00 O ATOM 2020 CB PRO A 126 4.221 -16.620 -8.870 1.00 0.00 C ATOM 2021 CG PRO A 126 2.984 -16.768 -8.053 1.00 0.00 C ATOM 2022 CD PRO A 126 3.253 -16.046 -6.761 1.00 0.00 C ATOM 0 HA PRO A 126 5.867 -15.193 -8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.000 -16.674 -9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.937 -17.413 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 126 2.123 -16.341 -8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.758 -17.819 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.347 -15.593 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.640 -16.720 -5.997 1.00 0.00 H new ATOM 2030 N ILE A 127 3.392 -13.333 -9.030 1.00 0.00 N ATOM 2031 CA ILE A 127 2.861 -12.271 -9.876 1.00 0.00 C ATOM 2032 C ILE A 127 3.712 -11.010 -9.775 1.00 0.00 C ATOM 2033 O ILE A 127 3.886 -10.286 -10.755 1.00 0.00 O ATOM 2034 CB ILE A 127 1.407 -11.928 -9.502 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.485 -13.108 -9.814 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.950 -10.681 -10.244 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.360 -14.095 -8.674 1.00 0.00 C ATOM 0 H ILE A 127 3.002 -13.357 -8.088 1.00 0.00 H new ATOM 0 HA ILE A 127 2.886 -12.641 -10.901 1.00 0.00 H new ATOM 0 HB ILE A 127 1.360 -11.728 -8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.505 -12.728 -10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.860 -13.629 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.079 -10.451 -9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.593 -9.842 -9.977 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.009 -10.855 -11.318 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.309 -14.905 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.342 -14.503 -8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.044 -13.589 -7.797 1.00 0.00 H new ATOM 2049 N ALA A 128 4.242 -10.754 -8.583 1.00 0.00 N ATOM 2050 CA ALA A 128 5.078 -9.582 -8.355 1.00 0.00 C ATOM 2051 C ALA A 128 6.478 -9.788 -8.923 1.00 0.00 C ATOM 2052 O ALA A 128 7.037 -8.896 -9.563 1.00 0.00 O ATOM 2053 CB ALA A 128 5.151 -9.268 -6.868 1.00 0.00 C ATOM 0 H ALA A 128 4.107 -11.342 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 128 4.625 -8.736 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.778 -8.391 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.149 -9.070 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.578 -10.119 -6.337 1.00 0.00 H new ATOM 2059 N LEU A 129 7.040 -10.968 -8.686 1.00 0.00 N ATOM 2060 CA LEU A 129 8.377 -11.291 -9.174 1.00 0.00 C ATOM 2061 C LEU A 129 8.389 -11.401 -10.695 1.00 0.00 C ATOM 2062 O LEU A 129 9.365 -11.031 -11.346 1.00 0.00 O ATOM 2063 CB LEU A 129 8.866 -12.600 -8.551 1.00 0.00 C ATOM 2064 CG LEU A 129 8.925 -12.636 -7.024 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.364 -14.009 -6.539 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.863 -11.558 -6.500 1.00 0.00 C ATOM 0 H LEU A 129 6.591 -11.717 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 129 9.049 -10.484 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.214 -13.405 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.862 -12.813 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 129 7.925 -12.439 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.400 -14.016 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.654 -14.761 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.353 -14.236 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.892 -11.599 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.865 -11.723 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.505 -10.579 -6.817 1.00 0.00 H new ATOM 2078 N ALA A 130 7.297 -11.912 -11.254 1.00 0.00 N ATOM 2079 CA ALA A 130 7.180 -12.067 -12.699 1.00 0.00 C ATOM 2080 C ALA A 130 7.669 -10.820 -13.427 1.00 0.00 C ATOM 2081 O ALA A 130 8.433 -10.908 -14.389 1.00 0.00 O ATOM 2082 CB ALA A 130 5.740 -12.374 -13.082 1.00 0.00 C ATOM 0 H ALA A 130 6.481 -12.226 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 130 7.811 -12.903 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.667 -12.487 -14.164 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.424 -13.298 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.095 -11.557 -12.759 1.00 0.00 H new ATOM 2088 N THR A 131 7.225 -9.656 -12.962 1.00 0.00 N ATOM 2089 CA THR A 131 7.615 -8.391 -13.569 1.00 0.00 C ATOM 2090 C THR A 131 9.121 -8.173 -13.467 1.00 0.00 C ATOM 2091 O THR A 131 9.747 -7.653 -14.390 1.00 0.00 O ATOM 2092 CB THR A 131 6.891 -7.203 -12.909 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.322 -7.060 -11.551 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.383 -7.398 -12.949 1.00 0.00 C ATOM 0 H THR A 131 6.594 -9.564 -12.166 1.00 0.00 H new ATOM 0 HA THR A 131 7.328 -8.444 -14.619 1.00 0.00 H new ATOM 0 HB THR A 131 7.140 -6.300 -13.466 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.093 -7.870 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.893 -6.546 -12.477 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.054 -7.478 -13.985 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.120 -8.310 -12.414 1.00 0.00 H new ATOM 2102 N GLY A 132 9.697 -8.576 -12.339 1.00 0.00 N ATOM 2103 CA GLY A 132 11.125 -8.417 -12.138 1.00 0.00 C ATOM 2104 C GLY A 132 11.466 -7.155 -11.369 1.00 0.00 C ATOM 2105 O GLY A 132 12.578 -6.637 -11.475 1.00 0.00 O ATOM 0 H GLY A 132 9.200 -9.010 -11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.511 -9.282 -11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.625 -8.395 -13.106 1.00 0.00 H new ATOM 2109 N ILE A 133 10.507 -6.659 -10.595 1.00 0.00 N ATOM 2110 CA ILE A 133 10.711 -5.451 -9.806 1.00 0.00 C ATOM 2111 C ILE A 133 11.484 -5.753 -8.527 1.00 0.00 C ATOM 2112 O ILE A 133 11.232 -6.756 -7.859 1.00 0.00 O ATOM 2113 CB ILE A 133 9.371 -4.786 -9.438 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.583 -4.441 -10.703 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.612 -3.538 -8.601 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.100 -4.269 -10.463 1.00 0.00 C ATOM 0 H ILE A 133 9.581 -7.075 -10.497 1.00 0.00 H new ATOM 0 HA ILE A 133 11.290 -4.765 -10.424 1.00 0.00 H new ATOM 0 HB ILE A 133 8.784 -5.489 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.983 -3.521 -11.131 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.734 -5.228 -11.442 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.656 -3.079 -8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.137 -3.810 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.216 -2.830 -9.169 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.605 -4.026 -11.403 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.686 -5.195 -10.064 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.938 -3.462 -9.748 1.00 0.00 H new ATOM 2128 N ARG A 134 12.426 -4.877 -8.190 1.00 0.00 N ATOM 2129 CA ARG A 134 13.236 -5.050 -6.991 1.00 0.00 C ATOM 2130 C ARG A 134 12.432 -5.729 -5.885 1.00 0.00 C ATOM 2131 O ARG A 134 11.691 -5.089 -5.140 1.00 0.00 O ATOM 2132 CB ARG A 134 13.754 -3.697 -6.501 1.00 0.00 C ATOM 2133 CG ARG A 134 14.721 -3.029 -7.465 1.00 0.00 C ATOM 2134 CD ARG A 134 16.052 -3.762 -7.516 1.00 0.00 C ATOM 2135 NE ARG A 134 17.160 -2.864 -7.831 1.00 0.00 N ATOM 2136 CZ ARG A 134 18.416 -3.270 -7.979 1.00 0.00 C ATOM 2137 NH1 ARG A 134 18.722 -4.553 -7.842 1.00 0.00 N ATOM 2138 NH2 ARG A 134 19.369 -2.393 -8.265 1.00 0.00 N ATOM 0 H ARG A 134 12.646 -4.041 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 134 14.084 -5.687 -7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 134 12.906 -3.033 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.249 -3.834 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.281 -3.001 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.885 -1.996 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 134 16.238 -4.244 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 134 16.002 -4.552 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 134 16.958 -1.871 -7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 134 17.992 -5.231 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 134 19.687 -4.862 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 134 19.138 -1.405 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 134 20.333 -2.706 -8.378 1.00 0.00 H new ATOM 2152 N PRO A 135 12.581 -7.058 -5.777 1.00 0.00 N ATOM 2153 CA PRO A 135 11.878 -7.853 -4.766 1.00 0.00 C ATOM 2154 C PRO A 135 12.390 -7.582 -3.355 1.00 0.00 C ATOM 2155 O PRO A 135 13.535 -7.169 -3.168 1.00 0.00 O ATOM 2156 CB PRO A 135 12.181 -9.296 -5.176 1.00 0.00 C ATOM 2157 CG PRO A 135 13.464 -9.215 -5.928 1.00 0.00 C ATOM 2158 CD PRO A 135 13.448 -7.886 -6.632 1.00 0.00 C ATOM 0 HA PRO A 135 10.814 -7.619 -4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.273 -9.944 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.384 -9.707 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.317 -9.289 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.550 -10.034 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.449 -7.464 -6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.051 -7.972 -7.644 1.00 0.00 H new