USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 54 SER OG : rot -140:sc= -0.622 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.03 K(o=-1.7,f=0.76) USER MOD Set 2.1: A 29 TYR OH : rot -89:sc= -0.471 USER MOD Set 2.2: A 81 THR OG1 : rot 87:sc= 0.371 USER MOD Set 2.3: A 97 THR OG1 : rot 117:sc= 0.468 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -8.69! C(o=-8.7!,f=-6.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot -66:sc= 1.4 USER MOD Single : A 57 CYS SG : rot -117:sc= -7.11! USER MOD Single : A 59 GLN : amide:sc= -0.571 K(o=-0.57,f=-3.8!) USER MOD Single : A 63 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 THR OG1 : rot -55:sc= 1.14 USER MOD Single : A 72 SER OG : rot 180:sc= 0.329 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 153:sc= -1.3! USER MOD Single : A 80 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.1!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -57:sc= -7.2! USER MOD Single : A 89 HIS : no HE2:sc= -7.28! C(o=-7.3!,f=-7.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.130 6.019 -3.112 1.00 0.00 N ATOM 95 CA SER A 6 -5.955 5.883 -4.548 1.00 0.00 C ATOM 96 C SER A 6 -5.182 4.601 -4.862 1.00 0.00 C ATOM 97 O SER A 6 -4.411 4.556 -5.818 1.00 0.00 O ATOM 98 CB SER A 6 -5.230 7.097 -5.132 1.00 0.00 C ATOM 99 OG SER A 6 -5.986 7.727 -6.162 1.00 0.00 O ATOM 0 HA SER A 6 -6.941 5.827 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.030 7.816 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.264 6.785 -5.530 1.00 0.00 H new ATOM 0 HG SER A 6 -5.489 8.498 -6.507 1.00 0.00 H new ATOM 105 N VAL A 7 -5.416 3.590 -4.038 1.00 0.00 N ATOM 106 CA VAL A 7 -4.752 2.310 -4.215 1.00 0.00 C ATOM 107 C VAL A 7 -5.804 1.213 -4.382 1.00 0.00 C ATOM 108 O VAL A 7 -5.658 0.330 -5.226 1.00 0.00 O ATOM 109 CB VAL A 7 -3.796 2.051 -3.050 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.026 0.744 -3.252 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.839 3.227 -2.853 1.00 0.00 C ATOM 0 H VAL A 7 -6.057 3.632 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.145 2.317 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.393 1.951 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.353 0.584 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.729 -0.086 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.446 0.802 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.171 3.016 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.252 3.374 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.411 4.130 -2.640 1.00 0.00 H new ATOM 121 N LEU A 8 -6.842 1.303 -3.562 1.00 0.00 N ATOM 122 CA LEU A 8 -7.918 0.328 -3.608 1.00 0.00 C ATOM 123 C LEU A 8 -9.171 0.928 -2.966 1.00 0.00 C ATOM 124 O LEU A 8 -9.174 2.094 -2.574 1.00 0.00 O ATOM 125 CB LEU A 8 -7.474 -0.992 -2.975 1.00 0.00 C ATOM 126 CG LEU A 8 -6.898 -0.896 -1.561 1.00 0.00 C ATOM 127 CD1 LEU A 8 -6.595 -2.286 -0.997 1.00 0.00 C ATOM 128 CD2 LEU A 8 -5.668 0.015 -1.530 1.00 0.00 C ATOM 0 H LEU A 8 -6.960 2.036 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.171 0.089 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.329 -1.667 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.724 -1.448 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.651 -0.443 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.187 -2.189 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.513 -2.872 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.869 -2.788 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.278 0.066 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.901 -0.386 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.947 1.015 -1.862 1.00 0.00 H new ATOM 140 N SER A 9 -10.204 0.103 -2.877 1.00 0.00 N ATOM 141 CA SER A 9 -11.460 0.537 -2.289 1.00 0.00 C ATOM 142 C SER A 9 -11.341 0.567 -0.763 1.00 0.00 C ATOM 143 O SER A 9 -10.279 0.274 -0.214 1.00 0.00 O ATOM 144 CB SER A 9 -12.612 -0.375 -2.713 1.00 0.00 C ATOM 145 OG SER A 9 -13.716 0.364 -3.229 1.00 0.00 O ATOM 0 H SER A 9 -10.197 -0.864 -3.202 1.00 0.00 H new ATOM 0 HA SER A 9 -11.677 1.542 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.260 -1.076 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.940 -0.967 -1.858 1.00 0.00 H new ATOM 0 HG SER A 9 -14.430 -0.254 -3.490 1.00 0.00 H new ATOM 151 N GLY A 10 -12.444 0.921 -0.122 1.00 0.00 N ATOM 152 CA GLY A 10 -12.477 0.993 1.329 1.00 0.00 C ATOM 153 C GLY A 10 -12.321 -0.398 1.949 1.00 0.00 C ATOM 154 O GLY A 10 -11.452 -0.611 2.792 1.00 0.00 O ATOM 0 H GLY A 10 -13.323 1.161 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.678 1.645 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.418 1.437 1.654 1.00 0.00 H new ATOM 158 N GLY A 11 -13.179 -1.306 1.509 1.00 0.00 N ATOM 159 CA GLY A 11 -13.148 -2.670 2.011 1.00 0.00 C ATOM 160 C GLY A 11 -11.766 -3.295 1.814 1.00 0.00 C ATOM 161 O GLY A 11 -11.214 -3.892 2.736 1.00 0.00 O ATOM 0 H GLY A 11 -13.900 -1.125 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.407 -2.678 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.899 -3.268 1.495 1.00 0.00 H new ATOM 165 N GLU A 12 -11.247 -3.137 0.605 1.00 0.00 N ATOM 166 CA GLU A 12 -9.940 -3.679 0.275 1.00 0.00 C ATOM 167 C GLU A 12 -8.868 -3.065 1.177 1.00 0.00 C ATOM 168 O GLU A 12 -7.965 -3.762 1.639 1.00 0.00 O ATOM 169 CB GLU A 12 -9.609 -3.454 -1.202 1.00 0.00 C ATOM 170 CG GLU A 12 -10.846 -3.661 -2.078 1.00 0.00 C ATOM 171 CD GLU A 12 -10.449 -4.015 -3.512 1.00 0.00 C ATOM 172 OE1 GLU A 12 -9.381 -3.527 -3.942 1.00 0.00 O ATOM 173 OE2 GLU A 12 -11.222 -4.765 -4.147 1.00 0.00 O ATOM 0 H GLU A 12 -11.708 -2.641 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.960 -4.755 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.224 -2.444 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.821 -4.141 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.463 -4.457 -1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.452 -2.755 -2.078 1.00 0.00 H new ATOM 180 N LEU A 13 -9.002 -1.766 1.402 1.00 0.00 N ATOM 181 CA LEU A 13 -8.056 -1.049 2.240 1.00 0.00 C ATOM 182 C LEU A 13 -8.214 -1.513 3.689 1.00 0.00 C ATOM 183 O LEU A 13 -7.240 -1.557 4.440 1.00 0.00 O ATOM 184 CB LEU A 13 -8.214 0.461 2.055 1.00 0.00 C ATOM 185 CG LEU A 13 -7.191 1.136 1.140 1.00 0.00 C ATOM 186 CD1 LEU A 13 -7.882 2.036 0.114 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.142 1.896 1.955 1.00 0.00 C ATOM 0 H LEU A 13 -9.752 -1.191 1.018 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.032 -1.276 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.211 0.656 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.163 0.934 3.036 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.666 0.359 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.132 2.504 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.557 1.438 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.450 2.809 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.427 2.366 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.633 2.662 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.618 1.201 2.612 1.00 0.00 H new ATOM 199 N ASP A 14 -9.447 -1.846 4.039 1.00 0.00 N ATOM 200 CA ASP A 14 -9.745 -2.304 5.387 1.00 0.00 C ATOM 201 C ASP A 14 -9.033 -3.635 5.636 1.00 0.00 C ATOM 202 O ASP A 14 -8.481 -3.855 6.714 1.00 0.00 O ATOM 203 CB ASP A 14 -11.247 -2.528 5.572 1.00 0.00 C ATOM 204 CG ASP A 14 -11.955 -1.484 6.439 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.468 -1.260 7.568 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.966 -0.934 5.952 1.00 0.00 O ATOM 0 H ASP A 14 -10.252 -1.808 3.414 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.406 -1.540 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.720 -2.544 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.400 -3.512 6.016 1.00 0.00 H new ATOM 211 N LYS A 15 -9.069 -4.488 4.624 1.00 0.00 N ATOM 212 CA LYS A 15 -8.434 -5.791 4.721 1.00 0.00 C ATOM 213 C LYS A 15 -6.917 -5.625 4.606 1.00 0.00 C ATOM 214 O LYS A 15 -6.161 -6.315 5.286 1.00 0.00 O ATOM 215 CB LYS A 15 -9.027 -6.754 3.690 1.00 0.00 C ATOM 216 CG LYS A 15 -9.916 -7.801 4.365 1.00 0.00 C ATOM 217 CD LYS A 15 -9.141 -9.093 4.624 1.00 0.00 C ATOM 218 CE LYS A 15 -9.935 -10.037 5.531 1.00 0.00 C ATOM 219 NZ LYS A 15 -9.047 -10.656 6.539 1.00 0.00 N ATOM 0 H LYS A 15 -9.528 -4.303 3.732 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.633 -6.240 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.609 -6.195 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.223 -7.250 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.298 -7.407 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.780 -8.011 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.926 -9.588 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.182 -8.860 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.733 -9.486 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.410 -10.813 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.602 -11.293 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.301 -11.198 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.613 -9.913 7.123 1.00 0.00 H new ATOM 233 N TRP A 16 -6.519 -4.704 3.740 1.00 0.00 N ATOM 234 CA TRP A 16 -5.106 -4.439 3.527 1.00 0.00 C ATOM 235 C TRP A 16 -4.487 -4.068 4.875 1.00 0.00 C ATOM 236 O TRP A 16 -3.365 -4.470 5.179 1.00 0.00 O ATOM 237 CB TRP A 16 -4.906 -3.361 2.460 1.00 0.00 C ATOM 238 CG TRP A 16 -3.782 -2.373 2.777 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.842 -1.274 3.541 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.420 -2.439 2.304 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.623 -0.628 3.595 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.731 -1.360 2.819 1.00 0.00 C ATOM 243 CE3 TRP A 16 -1.792 -3.378 1.469 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.377 -1.119 2.557 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.438 -3.124 1.215 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.270 -2.043 1.727 1.00 0.00 C ATOM 0 H TRP A 16 -7.150 -4.132 3.178 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.600 -5.325 3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.693 -3.844 1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.838 -2.809 2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.732 -0.936 4.051 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.415 0.228 4.109 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.312 -4.229 1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.140 -0.267 2.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.092 -3.816 0.577 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.315 -1.916 1.486 1.00 0.00 H new ATOM 257 N GLU A 17 -5.244 -3.304 5.649 1.00 0.00 N ATOM 258 CA GLU A 17 -4.784 -2.874 6.957 1.00 0.00 C ATOM 259 C GLU A 17 -5.157 -3.911 8.019 1.00 0.00 C ATOM 260 O GLU A 17 -5.340 -3.570 9.187 1.00 0.00 O ATOM 261 CB GLU A 17 -5.349 -1.497 7.313 1.00 0.00 C ATOM 262 CG GLU A 17 -6.840 -1.586 7.645 1.00 0.00 C ATOM 263 CD GLU A 17 -7.368 -0.247 8.164 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.143 0.763 7.462 1.00 0.00 O ATOM 265 OE2 GLU A 17 -7.984 -0.263 9.252 1.00 0.00 O ATOM 0 H GLU A 17 -6.174 -2.972 5.394 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.698 -2.788 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.807 -1.087 8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.199 -0.811 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.397 -1.880 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.004 -2.360 8.394 1.00 0.00 H new ATOM 272 N LYS A 18 -5.259 -5.154 7.575 1.00 0.00 N ATOM 273 CA LYS A 18 -5.608 -6.243 8.472 1.00 0.00 C ATOM 274 C LYS A 18 -4.474 -7.271 8.485 1.00 0.00 C ATOM 275 O LYS A 18 -4.521 -8.244 9.236 1.00 0.00 O ATOM 276 CB LYS A 18 -6.968 -6.833 8.096 1.00 0.00 C ATOM 277 CG LYS A 18 -7.511 -7.721 9.219 1.00 0.00 C ATOM 278 CD LYS A 18 -8.707 -7.062 9.907 1.00 0.00 C ATOM 279 CE LYS A 18 -9.987 -7.865 9.671 1.00 0.00 C ATOM 280 NZ LYS A 18 -10.863 -7.809 10.862 1.00 0.00 N ATOM 0 H LYS A 18 -5.106 -5.432 6.606 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.718 -5.875 9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.673 -6.028 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.875 -7.416 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.808 -8.688 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.725 -7.911 9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.516 -6.981 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.835 -6.048 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.517 -7.469 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.736 -8.902 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.727 -8.360 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.361 -8.208 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.117 -6.820 11.060 1.00 0.00 H new ATOM 294 N ILE A 19 -3.481 -7.018 7.644 1.00 0.00 N ATOM 295 CA ILE A 19 -2.337 -7.910 7.549 1.00 0.00 C ATOM 296 C ILE A 19 -1.292 -7.502 8.590 1.00 0.00 C ATOM 297 O ILE A 19 -1.149 -6.321 8.905 1.00 0.00 O ATOM 298 CB ILE A 19 -1.799 -7.940 6.117 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.912 -8.267 5.120 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.619 -8.907 5.995 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.230 -7.058 4.237 1.00 0.00 C ATOM 0 H ILE A 19 -3.445 -6.209 7.023 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.632 -8.935 7.776 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.428 -6.945 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.611 -9.108 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.809 -8.575 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.255 -8.909 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.182 -8.590 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.942 -9.912 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.024 -7.317 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.554 -6.226 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.338 -6.768 3.682 1.00 0.00 H new ATOM 313 N ARG A 20 -0.586 -8.504 9.096 1.00 0.00 N ATOM 314 CA ARG A 20 0.442 -8.265 10.095 1.00 0.00 C ATOM 315 C ARG A 20 1.825 -8.254 9.441 1.00 0.00 C ATOM 316 O ARG A 20 2.031 -8.884 8.405 1.00 0.00 O ATOM 317 CB ARG A 20 0.410 -9.338 11.186 1.00 0.00 C ATOM 318 CG ARG A 20 0.795 -10.706 10.620 1.00 0.00 C ATOM 319 CD ARG A 20 0.644 -11.800 11.680 1.00 0.00 C ATOM 320 NE ARG A 20 -0.778 -12.188 11.808 1.00 0.00 N ATOM 321 CZ ARG A 20 -1.202 -13.285 12.451 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.315 -14.108 13.028 1.00 0.00 N ATOM 323 NH2 ARG A 20 -2.512 -13.559 12.517 1.00 0.00 N ATOM 0 H ARG A 20 -0.706 -9.482 8.833 1.00 0.00 H new ATOM 0 HA ARG A 20 0.243 -7.294 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.096 -9.066 11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.588 -9.389 11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.166 -10.938 9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.825 -10.679 10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.243 -12.668 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.020 -11.443 12.639 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.479 -11.583 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.682 -13.899 12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.637 -14.943 13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.187 -12.933 12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.834 -14.394 13.006 1.00 0.00 H new ATOM 337 N LEU A 21 2.737 -7.530 10.073 1.00 0.00 N ATOM 338 CA LEU A 21 4.094 -7.429 9.565 1.00 0.00 C ATOM 339 C LEU A 21 4.898 -8.648 10.020 1.00 0.00 C ATOM 340 O LEU A 21 5.710 -9.179 9.263 1.00 0.00 O ATOM 341 CB LEU A 21 4.720 -6.094 9.974 1.00 0.00 C ATOM 342 CG LEU A 21 3.789 -4.880 9.948 1.00 0.00 C ATOM 343 CD1 LEU A 21 4.244 -3.818 10.952 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.664 -4.314 8.532 1.00 0.00 C ATOM 0 H LEU A 21 2.563 -7.008 10.932 1.00 0.00 H new ATOM 0 HA LEU A 21 4.093 -7.436 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.121 -6.197 10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.564 -5.894 9.314 1.00 0.00 H new ATOM 0 HG LEU A 21 2.795 -5.206 10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.565 -2.966 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.238 -4.241 11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.253 -3.490 10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.997 -3.452 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.647 -4.008 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.259 -5.079 7.869 1.00 0.00 H new ATOM 356 N ARG A 22 4.643 -9.057 11.254 1.00 0.00 N ATOM 357 CA ARG A 22 5.332 -10.205 11.819 1.00 0.00 C ATOM 358 C ARG A 22 4.353 -11.364 12.024 1.00 0.00 C ATOM 359 O ARG A 22 3.156 -11.146 12.200 1.00 0.00 O ATOM 360 CB ARG A 22 5.983 -9.853 13.158 1.00 0.00 C ATOM 361 CG ARG A 22 7.448 -10.294 13.188 1.00 0.00 C ATOM 362 CD ARG A 22 8.374 -9.103 13.439 1.00 0.00 C ATOM 363 NE ARG A 22 9.070 -8.730 12.188 1.00 0.00 N ATOM 364 CZ ARG A 22 10.111 -7.887 12.129 1.00 0.00 C ATOM 365 NH1 ARG A 22 10.581 -7.325 13.250 1.00 0.00 N ATOM 366 NH2 ARG A 22 10.680 -7.608 10.949 1.00 0.00 N ATOM 0 H ARG A 22 3.969 -8.614 11.878 1.00 0.00 H new ATOM 0 HA ARG A 22 6.111 -10.503 11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.920 -8.778 13.326 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.438 -10.335 13.969 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.591 -11.041 13.969 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.708 -10.768 12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.798 -8.256 13.811 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.103 -9.355 14.209 1.00 0.00 H new ATOM 0 HE ARG A 22 8.737 -9.140 11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.147 -7.538 14.148 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.373 -6.684 13.206 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.321 -8.037 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.472 -6.967 10.904 1.00 0.00 H new ATOM 380 N PRO A 23 4.915 -12.602 11.994 1.00 0.00 N ATOM 381 CA PRO A 23 4.105 -13.796 12.175 1.00 0.00 C ATOM 382 C PRO A 23 3.709 -13.971 13.643 1.00 0.00 C ATOM 383 O PRO A 23 2.603 -14.418 13.942 1.00 0.00 O ATOM 384 CB PRO A 23 4.962 -14.936 11.650 1.00 0.00 C ATOM 385 CG PRO A 23 6.387 -14.409 11.626 1.00 0.00 C ATOM 386 CD PRO A 23 6.330 -12.899 11.789 1.00 0.00 C ATOM 0 HA PRO A 23 3.158 -13.748 11.638 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.881 -15.813 12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.641 -15.239 10.653 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.973 -14.857 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.876 -14.673 10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.931 -12.569 12.637 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.718 -12.390 10.906 1.00 0.00 H new ATOM 394 N GLY A 24 4.635 -13.612 14.519 1.00 0.00 N ATOM 395 CA GLY A 24 4.396 -13.725 15.949 1.00 0.00 C ATOM 396 C GLY A 24 3.615 -12.517 16.472 1.00 0.00 C ATOM 397 O GLY A 24 3.178 -12.506 17.621 1.00 0.00 O ATOM 0 H GLY A 24 5.552 -13.243 14.267 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.841 -14.639 16.157 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.347 -13.803 16.475 1.00 0.00 H new ATOM 401 N GLY A 25 3.463 -11.530 15.602 1.00 0.00 N ATOM 402 CA GLY A 25 2.743 -10.320 15.961 1.00 0.00 C ATOM 403 C GLY A 25 3.698 -9.133 16.098 1.00 0.00 C ATOM 404 O GLY A 25 4.914 -9.314 16.157 1.00 0.00 O ATOM 0 H GLY A 25 3.826 -11.543 14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.992 -10.101 15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.212 -10.474 16.900 1.00 0.00 H new ATOM 408 N LYS A 26 3.112 -7.945 16.146 1.00 0.00 N ATOM 409 CA LYS A 26 3.896 -6.730 16.276 1.00 0.00 C ATOM 410 C LYS A 26 3.050 -5.533 15.834 1.00 0.00 C ATOM 411 O LYS A 26 2.806 -4.618 16.620 1.00 0.00 O ATOM 412 CB LYS A 26 5.218 -6.860 15.516 1.00 0.00 C ATOM 413 CG LYS A 26 6.368 -7.191 16.471 1.00 0.00 C ATOM 414 CD LYS A 26 7.363 -6.032 16.553 1.00 0.00 C ATOM 415 CE LYS A 26 8.322 -6.215 17.730 1.00 0.00 C ATOM 416 NZ LYS A 26 8.369 -4.989 18.558 1.00 0.00 N ATOM 0 H LYS A 26 2.104 -7.799 16.097 1.00 0.00 H new ATOM 0 HA LYS A 26 4.169 -6.563 17.318 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.132 -7.640 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.433 -5.929 14.991 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.971 -7.405 17.463 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.880 -8.091 16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.930 -5.968 15.624 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.823 -5.091 16.662 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.002 -7.060 18.339 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.320 -6.449 17.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.025 -5.131 19.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.696 -4.190 17.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.419 -4.782 18.927 1.00 0.00 H new ATOM 430 N LYS A 27 2.627 -5.578 14.580 1.00 0.00 N ATOM 431 CA LYS A 27 1.814 -4.510 14.026 1.00 0.00 C ATOM 432 C LYS A 27 1.170 -4.988 12.723 1.00 0.00 C ATOM 433 O LYS A 27 1.413 -6.111 12.281 1.00 0.00 O ATOM 434 CB LYS A 27 2.641 -3.233 13.870 1.00 0.00 C ATOM 435 CG LYS A 27 2.298 -2.221 14.965 1.00 0.00 C ATOM 436 CD LYS A 27 3.564 -1.561 15.517 1.00 0.00 C ATOM 437 CE LYS A 27 3.252 -0.182 16.103 1.00 0.00 C ATOM 438 NZ LYS A 27 4.349 0.264 16.990 1.00 0.00 N ATOM 0 H LYS A 27 2.832 -6.338 13.931 1.00 0.00 H new ATOM 0 HA LYS A 27 1.003 -4.256 14.709 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.703 -3.475 13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.455 -2.792 12.891 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.631 -1.458 14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.762 -2.721 15.772 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.004 -2.196 16.286 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.304 -1.464 14.722 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.112 0.539 15.297 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.317 -0.221 16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.121 1.201 17.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.464 -0.416 17.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.234 0.320 16.446 1.00 0.00 H new ATOM 452 N GLN A 28 0.361 -4.114 12.143 1.00 0.00 N ATOM 453 CA GLN A 28 -0.318 -4.433 10.900 1.00 0.00 C ATOM 454 C GLN A 28 -0.228 -3.254 9.927 1.00 0.00 C ATOM 455 O GLN A 28 0.251 -2.181 10.290 1.00 0.00 O ATOM 456 CB GLN A 28 -1.776 -4.822 11.155 1.00 0.00 C ATOM 457 CG GLN A 28 -2.493 -3.750 11.980 1.00 0.00 C ATOM 458 CD GLN A 28 -3.177 -4.366 13.202 1.00 0.00 C ATOM 459 OE1 GLN A 28 -2.994 -5.527 13.530 1.00 0.00 O ATOM 460 NE2 GLN A 28 -3.975 -3.526 13.855 1.00 0.00 N ATOM 0 H GLN A 28 0.161 -3.184 12.512 1.00 0.00 H new ATOM 0 HA GLN A 28 0.179 -5.291 10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.291 -4.959 10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.815 -5.777 11.680 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.777 -2.994 12.302 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.234 -3.244 11.361 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.083 -2.566 13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.478 -3.841 14.684 1.00 0.00 H new ATOM 469 N TYR A 29 -0.696 -3.495 8.711 1.00 0.00 N ATOM 470 CA TYR A 29 -0.673 -2.466 7.684 1.00 0.00 C ATOM 471 C TYR A 29 -1.782 -1.438 7.914 1.00 0.00 C ATOM 472 O TYR A 29 -2.687 -1.664 8.716 1.00 0.00 O ATOM 473 CB TYR A 29 -0.930 -3.188 6.360 1.00 0.00 C ATOM 474 CG TYR A 29 0.303 -3.887 5.783 1.00 0.00 C ATOM 475 CD1 TYR A 29 1.072 -4.705 6.585 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.646 -3.699 4.458 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.232 -5.362 6.042 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.807 -4.357 3.915 1.00 0.00 C ATOM 479 CZ TYR A 29 2.542 -5.156 4.734 1.00 0.00 C ATOM 480 OH TYR A 29 3.638 -5.777 4.221 1.00 0.00 O ATOM 0 H TYR A 29 -1.093 -4.386 8.414 1.00 0.00 H new ATOM 0 HA TYR A 29 0.279 -1.935 7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.718 -3.927 6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.301 -2.468 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.803 -4.852 7.621 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.044 -3.059 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.842 -6.004 6.660 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.087 -4.219 2.881 1.00 0.00 H new ATOM 0 HH TYR A 29 4.426 -5.209 4.349 1.00 0.00 H new ATOM 490 N LYS A 30 -1.676 -0.330 7.196 1.00 0.00 N ATOM 491 CA LYS A 30 -2.658 0.734 7.311 1.00 0.00 C ATOM 492 C LYS A 30 -2.267 1.887 6.385 1.00 0.00 C ATOM 493 O LYS A 30 -1.262 1.808 5.680 1.00 0.00 O ATOM 494 CB LYS A 30 -2.827 1.151 8.773 1.00 0.00 C ATOM 495 CG LYS A 30 -1.471 1.440 9.420 1.00 0.00 C ATOM 496 CD LYS A 30 -1.646 2.120 10.781 1.00 0.00 C ATOM 497 CE LYS A 30 -0.488 1.775 11.719 1.00 0.00 C ATOM 498 NZ LYS A 30 -0.988 1.082 12.927 1.00 0.00 N ATOM 0 H LYS A 30 -0.924 -0.146 6.532 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.638 0.383 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.458 2.038 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.336 0.360 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.917 0.509 9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.880 2.079 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.701 3.200 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.588 1.806 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.231 1.141 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.038 2.685 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.189 0.855 13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.657 1.700 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.470 0.203 12.649 1.00 0.00 H new ATOM 512 N LEU A 31 -3.082 2.931 6.414 1.00 0.00 N ATOM 513 CA LEU A 31 -2.834 4.098 5.585 1.00 0.00 C ATOM 514 C LEU A 31 -1.422 4.621 5.859 1.00 0.00 C ATOM 515 O LEU A 31 -0.846 5.323 5.030 1.00 0.00 O ATOM 516 CB LEU A 31 -3.929 5.145 5.794 1.00 0.00 C ATOM 517 CG LEU A 31 -4.515 5.764 4.524 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.416 6.071 3.505 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.609 4.873 3.933 1.00 0.00 C ATOM 0 H LEU A 31 -3.915 2.993 6.999 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.877 3.832 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.740 4.686 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.525 5.947 6.412 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.981 6.712 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.860 6.510 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.704 6.773 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.900 5.149 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.008 5.337 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.190 3.898 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.410 4.748 4.662 1.00 0.00 H new ATOM 531 N LYS A 32 -0.906 4.258 7.023 1.00 0.00 N ATOM 532 CA LYS A 32 0.427 4.682 7.417 1.00 0.00 C ATOM 533 C LYS A 32 1.457 4.041 6.484 1.00 0.00 C ATOM 534 O LYS A 32 2.374 4.711 6.011 1.00 0.00 O ATOM 535 CB LYS A 32 0.669 4.385 8.897 1.00 0.00 C ATOM 536 CG LYS A 32 1.036 5.660 9.660 1.00 0.00 C ATOM 537 CD LYS A 32 1.362 5.350 11.123 1.00 0.00 C ATOM 538 CE LYS A 32 1.786 6.616 11.869 1.00 0.00 C ATOM 539 NZ LYS A 32 3.246 6.825 11.747 1.00 0.00 N ATOM 0 H LYS A 32 -1.387 3.674 7.707 1.00 0.00 H new ATOM 0 HA LYS A 32 0.530 5.762 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.226 3.941 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.470 3.653 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.894 6.137 9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.209 6.368 9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.490 4.912 11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.160 4.610 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.254 7.478 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.511 6.535 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.517 7.689 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.748 6.010 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.500 6.924 10.743 1.00 0.00 H new ATOM 553 N HIS A 33 1.271 2.750 6.248 1.00 0.00 N ATOM 554 CA HIS A 33 2.173 2.011 5.381 1.00 0.00 C ATOM 555 C HIS A 33 1.958 2.444 3.930 1.00 0.00 C ATOM 556 O HIS A 33 2.908 2.511 3.151 1.00 0.00 O ATOM 557 CB HIS A 33 2.005 0.503 5.582 1.00 0.00 C ATOM 558 CG HIS A 33 2.151 0.055 7.016 1.00 0.00 C ATOM 559 ND1 HIS A 33 2.443 -1.252 7.368 1.00 0.00 N ATOM 560 CD2 HIS A 33 2.042 0.752 8.184 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.504 -1.326 8.689 1.00 0.00 C ATOM 562 NE2 HIS A 33 2.254 -0.083 9.193 1.00 0.00 N ATOM 0 H HIS A 33 0.509 2.198 6.642 1.00 0.00 H new ATOM 0 HA HIS A 33 3.206 2.241 5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.022 0.206 5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.742 -0.019 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.821 1.805 8.272 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.715 -2.214 9.266 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.233 0.164 10.183 1.00 0.00 H new ATOM 571 N ILE A 34 0.704 2.725 3.609 1.00 0.00 N ATOM 572 CA ILE A 34 0.352 3.148 2.264 1.00 0.00 C ATOM 573 C ILE A 34 0.945 4.534 2.000 1.00 0.00 C ATOM 574 O ILE A 34 1.342 4.839 0.876 1.00 0.00 O ATOM 575 CB ILE A 34 -1.162 3.078 2.058 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.615 1.639 1.802 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.609 4.026 0.944 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.124 1.573 1.563 1.00 0.00 C ATOM 0 H ILE A 34 -0.081 2.668 4.257 1.00 0.00 H new ATOM 0 HA ILE A 34 0.781 2.470 1.527 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.647 3.410 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.088 1.237 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.351 1.014 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.690 3.956 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.340 5.049 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.117 3.749 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.419 0.539 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.648 1.953 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.382 2.180 0.695 1.00 0.00 H new ATOM 590 N VAL A 35 0.986 5.336 3.053 1.00 0.00 N ATOM 591 CA VAL A 35 1.524 6.681 2.949 1.00 0.00 C ATOM 592 C VAL A 35 3.043 6.608 2.782 1.00 0.00 C ATOM 593 O VAL A 35 3.619 7.335 1.974 1.00 0.00 O ATOM 594 CB VAL A 35 1.096 7.512 4.160 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.040 8.696 4.376 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.352 7.985 4.017 1.00 0.00 C ATOM 0 H VAL A 35 0.655 5.080 3.983 1.00 0.00 H new ATOM 0 HA VAL A 35 1.124 7.184 2.069 1.00 0.00 H new ATOM 0 HB VAL A 35 1.155 6.873 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.712 9.269 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.052 8.328 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.030 9.335 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.631 8.573 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.448 8.599 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.011 7.120 3.936 1.00 0.00 H new ATOM 606 N TRP A 36 3.650 5.723 3.559 1.00 0.00 N ATOM 607 CA TRP A 36 5.091 5.545 3.508 1.00 0.00 C ATOM 608 C TRP A 36 5.454 5.028 2.114 1.00 0.00 C ATOM 609 O TRP A 36 6.355 5.559 1.466 1.00 0.00 O ATOM 610 CB TRP A 36 5.570 4.622 4.631 1.00 0.00 C ATOM 611 CG TRP A 36 6.940 3.992 4.376 1.00 0.00 C ATOM 612 CD1 TRP A 36 8.118 4.612 4.221 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.230 2.584 4.253 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.141 3.711 4.008 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.583 2.438 4.027 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.375 1.470 4.328 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.203 1.193 3.860 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.010 0.234 4.158 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.372 0.070 3.931 1.00 0.00 C ATOM 0 H TRP A 36 3.170 5.121 4.228 1.00 0.00 H new ATOM 0 HA TRP A 36 5.603 6.493 3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.610 5.189 5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.837 3.828 4.772 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.250 5.683 4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.125 3.937 3.863 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.313 1.561 4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.265 1.105 3.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.399 -0.655 4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.786 -0.920 3.810 1.00 0.00 H new ATOM 630 N ALA A 37 4.733 3.999 1.693 1.00 0.00 N ATOM 631 CA ALA A 37 4.968 3.405 0.388 1.00 0.00 C ATOM 632 C ALA A 37 4.740 4.460 -0.696 1.00 0.00 C ATOM 633 O ALA A 37 5.550 4.601 -1.611 1.00 0.00 O ATOM 634 CB ALA A 37 4.063 2.183 0.213 1.00 0.00 C ATOM 0 H ALA A 37 3.986 3.562 2.233 1.00 0.00 H new ATOM 0 HA ALA A 37 5.999 3.062 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.239 1.737 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.285 1.452 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.020 2.489 0.290 1.00 0.00 H new ATOM 640 N SER A 38 3.632 5.175 -0.558 1.00 0.00 N ATOM 641 CA SER A 38 3.287 6.212 -1.515 1.00 0.00 C ATOM 642 C SER A 38 4.420 7.238 -1.605 1.00 0.00 C ATOM 643 O SER A 38 4.759 7.700 -2.693 1.00 0.00 O ATOM 644 CB SER A 38 1.977 6.901 -1.131 1.00 0.00 C ATOM 645 OG SER A 38 1.478 7.722 -2.183 1.00 0.00 O ATOM 0 H SER A 38 2.962 5.056 0.202 1.00 0.00 H new ATOM 0 HA SER A 38 3.149 5.746 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.232 6.147 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.135 7.509 -0.240 1.00 0.00 H new ATOM 0 HG SER A 38 0.640 8.143 -1.900 1.00 0.00 H new ATOM 651 N ARG A 39 4.973 7.565 -0.446 1.00 0.00 N ATOM 652 CA ARG A 39 6.059 8.527 -0.381 1.00 0.00 C ATOM 653 C ARG A 39 7.276 8.007 -1.148 1.00 0.00 C ATOM 654 O ARG A 39 7.916 8.756 -1.886 1.00 0.00 O ATOM 655 CB ARG A 39 6.461 8.806 1.070 1.00 0.00 C ATOM 656 CG ARG A 39 7.115 10.183 1.202 1.00 0.00 C ATOM 657 CD ARG A 39 7.911 10.289 2.504 1.00 0.00 C ATOM 658 NE ARG A 39 6.985 10.397 3.655 1.00 0.00 N ATOM 659 CZ ARG A 39 7.369 10.324 4.937 1.00 0.00 C ATOM 660 NH1 ARG A 39 8.661 10.142 5.240 1.00 0.00 N ATOM 661 NH2 ARG A 39 6.460 10.433 5.915 1.00 0.00 N ATOM 0 H ARG A 39 4.689 7.181 0.455 1.00 0.00 H new ATOM 0 HA ARG A 39 5.708 9.454 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.581 8.754 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.152 8.037 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.775 10.359 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.349 10.958 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.550 9.414 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.566 11.160 2.470 1.00 0.00 H new ATOM 0 HE ARG A 39 5.993 10.536 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.353 10.059 4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.953 10.086 6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.476 10.571 5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.752 10.377 6.891 1.00 0.00 H new ATOM 675 N GLU A 40 7.560 6.728 -0.948 1.00 0.00 N ATOM 676 CA GLU A 40 8.689 6.100 -1.614 1.00 0.00 C ATOM 677 C GLU A 40 8.481 6.102 -3.129 1.00 0.00 C ATOM 678 O GLU A 40 9.425 6.315 -3.889 1.00 0.00 O ATOM 679 CB GLU A 40 8.909 4.678 -1.093 1.00 0.00 C ATOM 680 CG GLU A 40 10.395 4.313 -1.107 1.00 0.00 C ATOM 681 CD GLU A 40 10.626 2.981 -1.822 1.00 0.00 C ATOM 682 OE1 GLU A 40 9.645 2.211 -1.919 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.778 2.761 -2.256 1.00 0.00 O ATOM 0 H GLU A 40 7.028 6.110 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 40 9.586 6.678 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.520 4.594 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.351 3.971 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.962 5.100 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.767 4.250 -0.084 1.00 0.00 H new ATOM 690 N LEU A 41 7.239 5.865 -3.526 1.00 0.00 N ATOM 691 CA LEU A 41 6.896 5.839 -4.937 1.00 0.00 C ATOM 692 C LEU A 41 7.203 7.202 -5.558 1.00 0.00 C ATOM 693 O LEU A 41 7.878 7.283 -6.583 1.00 0.00 O ATOM 694 CB LEU A 41 5.445 5.388 -5.127 1.00 0.00 C ATOM 695 CG LEU A 41 5.225 3.882 -5.287 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.954 3.351 -6.524 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.628 3.131 -4.017 1.00 0.00 C ATOM 0 H LEU A 41 6.458 5.689 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 41 7.506 5.105 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.864 5.731 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.042 5.889 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 41 4.160 3.706 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.782 2.279 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.577 3.856 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.023 3.540 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.462 2.063 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.683 3.310 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.027 3.485 -3.179 1.00 0.00 H new ATOM 709 N GLU A 42 6.692 8.239 -4.912 1.00 0.00 N ATOM 710 CA GLU A 42 6.904 9.596 -5.388 1.00 0.00 C ATOM 711 C GLU A 42 8.397 9.931 -5.391 1.00 0.00 C ATOM 712 O GLU A 42 8.866 10.684 -6.242 1.00 0.00 O ATOM 713 CB GLU A 42 6.117 10.602 -4.546 1.00 0.00 C ATOM 714 CG GLU A 42 4.613 10.463 -4.789 1.00 0.00 C ATOM 715 CD GLU A 42 4.112 11.539 -5.755 1.00 0.00 C ATOM 716 OE1 GLU A 42 4.705 11.640 -6.851 1.00 0.00 O ATOM 717 OE2 GLU A 42 3.147 12.238 -5.376 1.00 0.00 O ATOM 0 H GLU A 42 6.132 8.168 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 42 6.535 9.663 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.334 10.446 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.436 11.615 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.396 9.475 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.079 10.542 -3.842 1.00 0.00 H new ATOM 724 N ARG A 43 9.100 9.356 -4.427 1.00 0.00 N ATOM 725 CA ARG A 43 10.530 9.584 -4.307 1.00 0.00 C ATOM 726 C ARG A 43 11.289 8.755 -5.345 1.00 0.00 C ATOM 727 O ARG A 43 12.430 9.069 -5.683 1.00 0.00 O ATOM 728 CB ARG A 43 11.031 9.220 -2.908 1.00 0.00 C ATOM 729 CG ARG A 43 12.289 10.015 -2.551 1.00 0.00 C ATOM 730 CD ARG A 43 13.178 9.230 -1.584 1.00 0.00 C ATOM 731 NE ARG A 43 14.599 9.577 -1.808 1.00 0.00 N ATOM 732 CZ ARG A 43 15.613 9.099 -1.072 1.00 0.00 C ATOM 733 NH1 ARG A 43 15.369 8.254 -0.063 1.00 0.00 N ATOM 734 NH2 ARG A 43 16.871 9.470 -1.347 1.00 0.00 N ATOM 0 H ARG A 43 8.706 8.733 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 43 10.712 10.645 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.250 9.420 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.246 8.152 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.847 10.246 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.007 10.966 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.898 9.455 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.029 8.160 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 43 14.821 10.219 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.411 7.973 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.141 7.891 0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.056 10.115 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.643 9.107 -0.788 1.00 0.00 H new ATOM 748 N PHE A 44 10.627 7.711 -5.821 1.00 0.00 N ATOM 749 CA PHE A 44 11.225 6.833 -6.813 1.00 0.00 C ATOM 750 C PHE A 44 11.025 7.387 -8.225 1.00 0.00 C ATOM 751 O PHE A 44 11.602 6.874 -9.183 1.00 0.00 O ATOM 752 CB PHE A 44 10.513 5.483 -6.702 1.00 0.00 C ATOM 753 CG PHE A 44 11.313 4.418 -5.951 1.00 0.00 C ATOM 754 CD1 PHE A 44 12.241 4.788 -5.027 1.00 0.00 C ATOM 755 CD2 PHE A 44 11.098 3.100 -6.207 1.00 0.00 C ATOM 756 CE1 PHE A 44 12.984 3.800 -4.330 1.00 0.00 C ATOM 757 CE2 PHE A 44 11.841 2.110 -5.509 1.00 0.00 C ATOM 758 CZ PHE A 44 12.768 2.481 -4.586 1.00 0.00 C ATOM 0 H PHE A 44 9.682 7.453 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 44 12.297 6.744 -6.634 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.558 5.628 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.292 5.117 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.412 5.835 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.362 2.806 -6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.720 4.095 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.669 1.063 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.333 1.729 -4.056 1.00 0.00 H new ATOM 768 N ALA A 45 10.209 8.427 -8.308 1.00 0.00 N ATOM 769 CA ALA A 45 9.927 9.056 -9.588 1.00 0.00 C ATOM 770 C ALA A 45 8.861 8.244 -10.327 1.00 0.00 C ATOM 771 O ALA A 45 8.855 8.192 -11.556 1.00 0.00 O ATOM 772 CB ALA A 45 11.223 9.182 -10.391 1.00 0.00 C ATOM 0 H ALA A 45 9.734 8.850 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 45 9.534 10.062 -9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.012 9.654 -11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.937 9.791 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.645 8.191 -10.559 1.00 0.00 H new ATOM 778 N VAL A 46 7.983 7.632 -9.545 1.00 0.00 N ATOM 779 CA VAL A 46 6.914 6.825 -10.110 1.00 0.00 C ATOM 780 C VAL A 46 5.564 7.415 -9.697 1.00 0.00 C ATOM 781 O VAL A 46 5.446 8.020 -8.632 1.00 0.00 O ATOM 782 CB VAL A 46 7.082 5.364 -9.688 1.00 0.00 C ATOM 783 CG1 VAL A 46 7.562 5.264 -8.239 1.00 0.00 C ATOM 784 CG2 VAL A 46 5.784 4.582 -9.893 1.00 0.00 C ATOM 0 H VAL A 46 7.990 7.679 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 46 6.957 6.842 -11.199 1.00 0.00 H new ATOM 0 HB VAL A 46 7.845 4.916 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.673 4.215 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.522 5.769 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.833 5.736 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.931 3.547 -9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.991 5.030 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.504 4.611 -10.946 1.00 0.00 H new ATOM 794 N ASN A 47 4.579 7.218 -10.561 1.00 0.00 N ATOM 795 CA ASN A 47 3.242 7.723 -10.300 1.00 0.00 C ATOM 796 C ASN A 47 2.563 6.838 -9.253 1.00 0.00 C ATOM 797 O ASN A 47 2.473 5.624 -9.425 1.00 0.00 O ATOM 798 CB ASN A 47 2.385 7.697 -11.568 1.00 0.00 C ATOM 799 CG ASN A 47 1.811 9.082 -11.870 1.00 0.00 C ATOM 800 OD1 ASN A 47 2.279 10.097 -11.382 1.00 0.00 O ATOM 801 ND2 ASN A 47 0.772 9.067 -12.700 1.00 0.00 N ATOM 0 H ASN A 47 4.680 6.715 -11.443 1.00 0.00 H new ATOM 0 HA ASN A 47 3.333 8.750 -9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.987 7.357 -12.411 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.572 6.981 -11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.317 9.941 -12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.430 8.181 -13.073 1.00 0.00 H new ATOM 808 N PRO A 48 2.093 7.499 -8.160 1.00 0.00 N ATOM 809 CA PRO A 48 1.426 6.785 -7.084 1.00 0.00 C ATOM 810 C PRO A 48 0.008 6.379 -7.493 1.00 0.00 C ATOM 811 O PRO A 48 -0.471 5.313 -7.109 1.00 0.00 O ATOM 812 CB PRO A 48 1.453 7.742 -5.903 1.00 0.00 C ATOM 813 CG PRO A 48 1.715 9.120 -6.487 1.00 0.00 C ATOM 814 CD PRO A 48 2.183 8.937 -7.921 1.00 0.00 C ATOM 0 HA PRO A 48 1.919 5.847 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.507 7.721 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.232 7.464 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.810 9.726 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.471 9.645 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.555 9.494 -8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.203 9.297 -8.054 1.00 0.00 H new ATOM 822 N GLY A 49 -0.623 7.251 -8.265 1.00 0.00 N ATOM 823 CA GLY A 49 -1.977 6.997 -8.730 1.00 0.00 C ATOM 824 C GLY A 49 -2.048 5.688 -9.522 1.00 0.00 C ATOM 825 O GLY A 49 -3.037 4.964 -9.443 1.00 0.00 O ATOM 0 H GLY A 49 -0.222 8.134 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.655 6.948 -7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.312 7.824 -9.356 1.00 0.00 H new ATOM 829 N LEU A 50 -0.983 5.428 -10.268 1.00 0.00 N ATOM 830 CA LEU A 50 -0.913 4.221 -11.074 1.00 0.00 C ATOM 831 C LEU A 50 -0.842 3.002 -10.153 1.00 0.00 C ATOM 832 O LEU A 50 -0.995 1.868 -10.605 1.00 0.00 O ATOM 833 CB LEU A 50 0.246 4.308 -12.069 1.00 0.00 C ATOM 834 CG LEU A 50 1.590 3.762 -11.583 1.00 0.00 C ATOM 835 CD1 LEU A 50 1.703 2.261 -11.855 1.00 0.00 C ATOM 836 CD2 LEU A 50 2.753 4.545 -12.195 1.00 0.00 C ATOM 0 H LEU A 50 -0.163 6.032 -10.331 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.814 4.113 -11.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.037 3.769 -12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.381 5.353 -12.349 1.00 0.00 H new ATOM 0 HG LEU A 50 1.644 3.898 -10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.668 1.898 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.903 1.735 -11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.619 2.078 -12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.697 4.137 -11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.715 4.463 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.677 5.594 -11.907 1.00 0.00 H new ATOM 848 N LEU A 51 -0.611 3.276 -8.878 1.00 0.00 N ATOM 849 CA LEU A 51 -0.517 2.215 -7.889 1.00 0.00 C ATOM 850 C LEU A 51 -1.917 1.667 -7.602 1.00 0.00 C ATOM 851 O LEU A 51 -2.068 0.700 -6.857 1.00 0.00 O ATOM 852 CB LEU A 51 0.217 2.709 -6.641 1.00 0.00 C ATOM 853 CG LEU A 51 0.992 1.649 -5.855 1.00 0.00 C ATOM 854 CD1 LEU A 51 1.766 0.724 -6.798 1.00 0.00 C ATOM 855 CD2 LEU A 51 1.905 2.298 -4.812 1.00 0.00 C ATOM 0 H LEU A 51 -0.486 4.218 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 51 0.078 1.387 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.913 3.493 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.512 3.168 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 51 0.274 1.031 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.308 -0.020 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.069 0.222 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.473 1.311 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.444 1.523 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.618 2.954 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.304 2.880 -4.114 1.00 0.00 H new ATOM 867 N GLU A 52 -2.904 2.307 -8.210 1.00 0.00 N ATOM 868 CA GLU A 52 -4.286 1.896 -8.029 1.00 0.00 C ATOM 869 C GLU A 52 -4.580 0.644 -8.859 1.00 0.00 C ATOM 870 O GLU A 52 -5.670 0.082 -8.776 1.00 0.00 O ATOM 871 CB GLU A 52 -5.248 3.030 -8.389 1.00 0.00 C ATOM 872 CG GLU A 52 -6.694 2.646 -8.069 1.00 0.00 C ATOM 873 CD GLU A 52 -7.559 3.891 -7.868 1.00 0.00 C ATOM 874 OE1 GLU A 52 -7.355 4.855 -8.637 1.00 0.00 O ATOM 875 OE2 GLU A 52 -8.407 3.851 -6.950 1.00 0.00 O ATOM 0 H GLU A 52 -2.775 3.107 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.438 1.656 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.977 3.930 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.157 3.266 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.102 2.042 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.720 2.031 -7.169 1.00 0.00 H new ATOM 882 N THR A 53 -3.587 0.244 -9.640 1.00 0.00 N ATOM 883 CA THR A 53 -3.726 -0.931 -10.484 1.00 0.00 C ATOM 884 C THR A 53 -2.741 -2.017 -10.050 1.00 0.00 C ATOM 885 O THR A 53 -1.581 -1.730 -9.759 1.00 0.00 O ATOM 886 CB THR A 53 -3.543 -0.492 -11.938 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.138 -0.297 -12.070 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.138 0.891 -12.212 1.00 0.00 C ATOM 0 H THR A 53 -2.683 0.712 -9.706 1.00 0.00 H new ATOM 0 HA THR A 53 -4.717 -1.375 -10.385 1.00 0.00 H new ATOM 0 HB THR A 53 -4.008 -1.225 -12.598 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.859 0.460 -11.514 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.981 1.154 -13.258 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.207 0.876 -11.998 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.651 1.629 -11.575 1.00 0.00 H new ATOM 896 N SER A 54 -3.240 -3.245 -10.019 1.00 0.00 N ATOM 897 CA SER A 54 -2.419 -4.377 -9.625 1.00 0.00 C ATOM 898 C SER A 54 -1.183 -4.465 -10.523 1.00 0.00 C ATOM 899 O SER A 54 -0.126 -4.918 -10.087 1.00 0.00 O ATOM 900 CB SER A 54 -3.214 -5.683 -9.687 1.00 0.00 C ATOM 901 OG SER A 54 -3.126 -6.302 -10.967 1.00 0.00 O ATOM 0 H SER A 54 -4.203 -3.480 -10.260 1.00 0.00 H new ATOM 0 HA SER A 54 -2.101 -4.226 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.843 -6.370 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.259 -5.482 -9.453 1.00 0.00 H new ATOM 0 HG SER A 54 -4.000 -6.672 -11.212 1.00 0.00 H new ATOM 907 N GLU A 55 -1.358 -4.025 -11.760 1.00 0.00 N ATOM 908 CA GLU A 55 -0.271 -4.048 -12.723 1.00 0.00 C ATOM 909 C GLU A 55 0.810 -3.040 -12.329 1.00 0.00 C ATOM 910 O GLU A 55 1.998 -3.362 -12.335 1.00 0.00 O ATOM 911 CB GLU A 55 -0.785 -3.776 -14.139 1.00 0.00 C ATOM 912 CG GLU A 55 -0.725 -5.041 -14.997 1.00 0.00 C ATOM 913 CD GLU A 55 -2.011 -5.216 -15.807 1.00 0.00 C ATOM 914 OE1 GLU A 55 -3.065 -5.409 -15.163 1.00 0.00 O ATOM 915 OE2 GLU A 55 -1.912 -5.151 -17.051 1.00 0.00 O ATOM 0 H GLU A 55 -2.237 -3.650 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 55 0.170 -5.045 -12.718 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.811 -3.412 -14.093 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.188 -2.990 -14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.129 -4.987 -15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.572 -5.911 -14.358 1.00 0.00 H new ATOM 922 N GLY A 56 0.360 -1.839 -11.995 1.00 0.00 N ATOM 923 CA GLY A 56 1.273 -0.781 -11.599 1.00 0.00 C ATOM 924 C GLY A 56 2.080 -1.188 -10.364 1.00 0.00 C ATOM 925 O GLY A 56 3.289 -0.967 -10.309 1.00 0.00 O ATOM 0 H GLY A 56 -0.625 -1.576 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.951 -0.553 -12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.711 0.129 -11.387 1.00 0.00 H new ATOM 929 N CYS A 57 1.380 -1.773 -9.405 1.00 0.00 N ATOM 930 CA CYS A 57 2.016 -2.213 -8.175 1.00 0.00 C ATOM 931 C CYS A 57 3.025 -3.310 -8.522 1.00 0.00 C ATOM 932 O CYS A 57 4.125 -3.342 -7.973 1.00 0.00 O ATOM 933 CB CYS A 57 0.990 -2.686 -7.144 1.00 0.00 C ATOM 934 SG CYS A 57 1.782 -2.852 -5.502 1.00 0.00 S ATOM 0 H CYS A 57 0.377 -1.953 -9.454 1.00 0.00 H new ATOM 0 HA CYS A 57 2.537 -1.375 -7.712 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.164 -1.976 -7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.568 -3.643 -7.452 1.00 0.00 H new ATOM 0 HG CYS A 57 1.743 -4.096 -5.125 1.00 0.00 H new ATOM 940 N ARG A 58 2.613 -4.183 -9.429 1.00 0.00 N ATOM 941 CA ARG A 58 3.466 -5.279 -9.855 1.00 0.00 C ATOM 942 C ARG A 58 4.703 -4.739 -10.576 1.00 0.00 C ATOM 943 O ARG A 58 5.799 -5.277 -10.424 1.00 0.00 O ATOM 944 CB ARG A 58 2.715 -6.231 -10.789 1.00 0.00 C ATOM 945 CG ARG A 58 3.300 -7.643 -10.716 1.00 0.00 C ATOM 946 CD ARG A 58 3.016 -8.420 -12.004 1.00 0.00 C ATOM 947 NE ARG A 58 4.268 -9.017 -12.521 1.00 0.00 N ATOM 948 CZ ARG A 58 4.378 -9.615 -13.715 1.00 0.00 C ATOM 949 NH1 ARG A 58 3.312 -9.700 -14.522 1.00 0.00 N ATOM 950 NH2 ARG A 58 5.553 -10.129 -14.100 1.00 0.00 N ATOM 0 H ARG A 58 1.699 -4.154 -9.881 1.00 0.00 H new ATOM 0 HA ARG A 58 3.771 -5.828 -8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.660 -6.256 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.772 -5.862 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.376 -7.587 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.874 -8.174 -9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.282 -9.203 -11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.584 -7.755 -12.752 1.00 0.00 H new ATOM 0 HE ARG A 58 5.099 -8.970 -11.931 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.417 -9.310 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.395 -10.155 -15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.364 -10.065 -13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.637 -10.584 -15.009 1.00 0.00 H new ATOM 964 N GLN A 59 4.486 -3.683 -11.346 1.00 0.00 N ATOM 965 CA GLN A 59 5.570 -3.065 -12.091 1.00 0.00 C ATOM 966 C GLN A 59 6.626 -2.513 -11.132 1.00 0.00 C ATOM 967 O GLN A 59 7.817 -2.769 -11.301 1.00 0.00 O ATOM 968 CB GLN A 59 5.042 -1.966 -13.016 1.00 0.00 C ATOM 969 CG GLN A 59 4.877 -2.485 -14.446 1.00 0.00 C ATOM 970 CD GLN A 59 6.233 -2.608 -15.144 1.00 0.00 C ATOM 971 OE1 GLN A 59 7.190 -3.143 -14.608 1.00 0.00 O ATOM 972 NE2 GLN A 59 6.261 -2.087 -16.367 1.00 0.00 N ATOM 0 H GLN A 59 3.576 -3.240 -11.470 1.00 0.00 H new ATOM 0 HA GLN A 59 6.037 -3.827 -12.715 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.084 -1.602 -12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.729 -1.119 -13.010 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.383 -3.456 -14.429 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.234 -1.810 -15.010 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.424 -1.654 -16.756 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.120 -2.121 -16.916 1.00 0.00 H new ATOM 981 N ILE A 60 6.152 -1.766 -10.146 1.00 0.00 N ATOM 982 CA ILE A 60 7.040 -1.177 -9.159 1.00 0.00 C ATOM 983 C ILE A 60 7.773 -2.291 -8.408 1.00 0.00 C ATOM 984 O ILE A 60 8.984 -2.214 -8.203 1.00 0.00 O ATOM 985 CB ILE A 60 6.269 -0.223 -8.244 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.742 0.981 -9.028 1.00 0.00 C ATOM 987 CG2 ILE A 60 7.124 0.201 -7.048 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.356 1.395 -8.530 1.00 0.00 C ATOM 0 H ILE A 60 5.163 -1.555 -10.010 1.00 0.00 H new ATOM 0 HA ILE A 60 7.800 -0.568 -9.648 1.00 0.00 H new ATOM 0 HB ILE A 60 5.403 -0.754 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.434 1.817 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.693 0.736 -10.089 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.552 0.879 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.408 -0.680 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.021 0.707 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.004 2.253 -9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.661 0.565 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.414 1.663 -7.475 1.00 0.00 H new ATOM 1000 N LEU A 61 7.008 -3.300 -8.018 1.00 0.00 N ATOM 1001 CA LEU A 61 7.569 -4.428 -7.294 1.00 0.00 C ATOM 1002 C LEU A 61 8.710 -5.037 -8.112 1.00 0.00 C ATOM 1003 O LEU A 61 9.765 -5.358 -7.567 1.00 0.00 O ATOM 1004 CB LEU A 61 6.472 -5.430 -6.929 1.00 0.00 C ATOM 1005 CG LEU A 61 6.366 -5.800 -5.449 1.00 0.00 C ATOM 1006 CD1 LEU A 61 5.664 -7.147 -5.269 1.00 0.00 C ATOM 1007 CD2 LEU A 61 7.742 -5.777 -4.778 1.00 0.00 C ATOM 0 H LEU A 61 6.004 -3.360 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 61 7.995 -4.098 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.514 -5.022 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.637 -6.343 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 61 5.752 -5.048 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.602 -7.386 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.659 -7.093 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.230 -7.924 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.638 -6.044 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.399 -6.493 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.169 -4.778 -4.858 1.00 0.00 H new ATOM 1019 N GLY A 62 8.459 -5.177 -9.404 1.00 0.00 N ATOM 1020 CA GLY A 62 9.453 -5.742 -10.302 1.00 0.00 C ATOM 1021 C GLY A 62 10.581 -4.744 -10.569 1.00 0.00 C ATOM 1022 O GLY A 62 11.693 -5.136 -10.920 1.00 0.00 O ATOM 0 H GLY A 62 7.582 -4.909 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.864 -6.653 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.980 -6.022 -11.243 1.00 0.00 H new ATOM 1026 N GLN A 63 10.256 -3.471 -10.393 1.00 0.00 N ATOM 1027 CA GLN A 63 11.228 -2.413 -10.610 1.00 0.00 C ATOM 1028 C GLN A 63 12.290 -2.434 -9.508 1.00 0.00 C ATOM 1029 O GLN A 63 13.470 -2.208 -9.772 1.00 0.00 O ATOM 1030 CB GLN A 63 10.544 -1.047 -10.686 1.00 0.00 C ATOM 1031 CG GLN A 63 11.502 0.015 -11.232 1.00 0.00 C ATOM 1032 CD GLN A 63 10.827 1.388 -11.282 1.00 0.00 C ATOM 1033 OE1 GLN A 63 9.926 1.636 -12.067 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.309 2.261 -10.403 1.00 0.00 N ATOM 0 H GLN A 63 9.333 -3.149 -10.103 1.00 0.00 H new ATOM 0 HA GLN A 63 11.721 -2.589 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.664 -1.112 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.197 -0.754 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.391 0.065 -10.604 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.833 -0.268 -12.231 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.064 1.988 -9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.923 3.204 -10.357 1.00 0.00 H new ATOM 1043 N LEU A 64 11.832 -2.707 -8.294 1.00 0.00 N ATOM 1044 CA LEU A 64 12.727 -2.760 -7.152 1.00 0.00 C ATOM 1045 C LEU A 64 13.094 -4.217 -6.863 1.00 0.00 C ATOM 1046 O LEU A 64 13.987 -4.489 -6.062 1.00 0.00 O ATOM 1047 CB LEU A 64 12.112 -2.032 -5.955 1.00 0.00 C ATOM 1048 CG LEU A 64 10.795 -2.605 -5.426 1.00 0.00 C ATOM 1049 CD1 LEU A 64 11.046 -3.823 -4.536 1.00 0.00 C ATOM 1050 CD2 LEU A 64 9.978 -1.529 -4.708 1.00 0.00 C ATOM 0 H LEU A 64 10.853 -2.894 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 64 13.656 -2.235 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.838 -2.033 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.947 -0.991 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 64 10.204 -2.944 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.094 -4.211 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.557 -4.595 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.666 -3.532 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.047 -1.963 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.551 -1.137 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.753 -0.719 -5.402 1.00 0.00 H new ATOM 1062 N GLN A 65 12.386 -5.115 -7.532 1.00 0.00 N ATOM 1063 CA GLN A 65 12.626 -6.537 -7.357 1.00 0.00 C ATOM 1064 C GLN A 65 14.123 -6.808 -7.193 1.00 0.00 C ATOM 1065 O GLN A 65 14.539 -7.452 -6.232 1.00 0.00 O ATOM 1066 CB GLN A 65 12.050 -7.338 -8.527 1.00 0.00 C ATOM 1067 CG GLN A 65 10.823 -8.141 -8.090 1.00 0.00 C ATOM 1068 CD GLN A 65 10.561 -9.307 -9.047 1.00 0.00 C ATOM 1069 OE1 GLN A 65 10.981 -9.309 -10.193 1.00 0.00 O ATOM 1070 NE2 GLN A 65 9.846 -10.293 -8.514 1.00 0.00 N ATOM 0 H GLN A 65 11.646 -4.885 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 65 12.117 -6.862 -6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.777 -6.661 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.810 -8.013 -8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.974 -8.522 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.950 -7.489 -8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.526 -10.226 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.617 -11.116 -9.071 1.00 0.00 H new ATOM 1079 N PRO A 66 14.911 -6.288 -8.172 1.00 0.00 N ATOM 1080 CA PRO A 66 16.353 -6.467 -8.145 1.00 0.00 C ATOM 1081 C PRO A 66 16.998 -5.559 -7.096 1.00 0.00 C ATOM 1082 O PRO A 66 18.040 -5.896 -6.534 1.00 0.00 O ATOM 1083 CB PRO A 66 16.814 -6.159 -9.561 1.00 0.00 C ATOM 1084 CG PRO A 66 15.684 -5.373 -10.206 1.00 0.00 C ATOM 1085 CD PRO A 66 14.453 -5.520 -9.326 1.00 0.00 C ATOM 0 HA PRO A 66 16.647 -7.476 -7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.738 -5.580 -9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.017 -7.076 -10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.958 -4.323 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.483 -5.747 -11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.063 -4.548 -9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.650 -6.036 -9.852 1.00 0.00 H new ATOM 1093 N SER A 67 16.354 -4.425 -6.863 1.00 0.00 N ATOM 1094 CA SER A 67 16.851 -3.467 -5.892 1.00 0.00 C ATOM 1095 C SER A 67 16.974 -4.130 -4.518 1.00 0.00 C ATOM 1096 O SER A 67 17.646 -3.608 -3.630 1.00 0.00 O ATOM 1097 CB SER A 67 15.940 -2.241 -5.810 1.00 0.00 C ATOM 1098 OG SER A 67 16.618 -1.105 -5.282 1.00 0.00 O ATOM 0 H SER A 67 15.491 -4.148 -7.331 1.00 0.00 H new ATOM 0 HA SER A 67 17.836 -3.132 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.559 -2.006 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.078 -2.472 -5.184 1.00 0.00 H new ATOM 0 HG SER A 67 16.002 -0.343 -5.248 1.00 0.00 H new ATOM 1104 N LEU A 68 16.313 -5.270 -4.386 1.00 0.00 N ATOM 1105 CA LEU A 68 16.338 -6.010 -3.136 1.00 0.00 C ATOM 1106 C LEU A 68 17.719 -6.647 -2.954 1.00 0.00 C ATOM 1107 O LEU A 68 18.252 -6.674 -1.846 1.00 0.00 O ATOM 1108 CB LEU A 68 15.186 -7.015 -3.084 1.00 0.00 C ATOM 1109 CG LEU A 68 13.778 -6.419 -3.032 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.792 -7.272 -3.831 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.321 -6.218 -1.585 1.00 0.00 C ATOM 0 H LEU A 68 15.756 -5.700 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 68 16.181 -5.338 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.254 -7.661 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.323 -7.650 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 68 13.806 -5.435 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.799 -6.826 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.113 -7.320 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.761 -8.279 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.317 -5.793 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.313 -7.178 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.007 -5.539 -1.078 1.00 0.00 H new ATOM 1123 N GLN A 69 18.256 -7.143 -4.058 1.00 0.00 N ATOM 1124 CA GLN A 69 19.563 -7.777 -4.034 1.00 0.00 C ATOM 1125 C GLN A 69 20.481 -7.065 -3.037 1.00 0.00 C ATOM 1126 O GLN A 69 20.845 -7.632 -2.008 1.00 0.00 O ATOM 1127 CB GLN A 69 20.187 -7.802 -5.431 1.00 0.00 C ATOM 1128 CG GLN A 69 21.039 -9.057 -5.628 1.00 0.00 C ATOM 1129 CD GLN A 69 21.543 -9.157 -7.070 1.00 0.00 C ATOM 1130 OE1 GLN A 69 21.174 -8.383 -7.938 1.00 0.00 O ATOM 1131 NE2 GLN A 69 22.401 -10.151 -7.276 1.00 0.00 N ATOM 0 H GLN A 69 17.810 -7.119 -4.975 1.00 0.00 H new ATOM 0 HA GLN A 69 19.437 -8.810 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.401 -7.770 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.803 -6.914 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 69 21.887 -9.036 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.452 -9.942 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 69 22.668 -10.763 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 69 22.793 -10.302 -8.206 1.00 0.00 H new ATOM 1140 N THR A 70 20.829 -5.833 -3.378 1.00 0.00 N ATOM 1141 CA THR A 70 21.696 -5.037 -2.526 1.00 0.00 C ATOM 1142 C THR A 70 20.946 -3.816 -1.992 1.00 0.00 C ATOM 1143 O THR A 70 21.518 -2.734 -1.873 1.00 0.00 O ATOM 1144 CB THR A 70 22.947 -4.677 -3.330 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.747 -3.934 -2.414 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.654 -3.686 -4.458 1.00 0.00 C ATOM 0 H THR A 70 20.526 -5.366 -4.233 1.00 0.00 H new ATOM 0 HA THR A 70 22.007 -5.598 -1.645 1.00 0.00 H new ATOM 0 HB THR A 70 23.382 -5.584 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 70 23.229 -3.179 -2.065 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.576 -3.465 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.928 -4.121 -5.145 1.00 0.00 H new ATOM 0 HG23 THR A 70 22.250 -2.765 -4.038 1.00 0.00 H new ATOM 1154 N GLY A 71 19.674 -4.030 -1.683 1.00 0.00 N ATOM 1155 CA GLY A 71 18.839 -2.961 -1.164 1.00 0.00 C ATOM 1156 C GLY A 71 19.080 -2.755 0.332 1.00 0.00 C ATOM 1157 O GLY A 71 19.970 -3.374 0.913 1.00 0.00 O ATOM 0 H GLY A 71 19.202 -4.929 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.050 -2.036 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.789 -3.198 -1.338 1.00 0.00 H new ATOM 1161 N SER A 72 18.271 -1.881 0.915 1.00 0.00 N ATOM 1162 CA SER A 72 18.385 -1.585 2.332 1.00 0.00 C ATOM 1163 C SER A 72 17.252 -2.267 3.102 1.00 0.00 C ATOM 1164 O SER A 72 16.296 -2.757 2.502 1.00 0.00 O ATOM 1165 CB SER A 72 18.364 -0.075 2.583 1.00 0.00 C ATOM 1166 OG SER A 72 17.044 0.455 2.528 1.00 0.00 O ATOM 0 H SER A 72 17.534 -1.369 0.430 1.00 0.00 H new ATOM 0 HA SER A 72 19.341 -1.972 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.800 0.137 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.987 0.425 1.841 1.00 0.00 H new ATOM 0 HG SER A 72 17.072 1.420 2.695 1.00 0.00 H new ATOM 1172 N GLU A 73 17.397 -2.278 4.419 1.00 0.00 N ATOM 1173 CA GLU A 73 16.397 -2.891 5.277 1.00 0.00 C ATOM 1174 C GLU A 73 15.022 -2.275 5.015 1.00 0.00 C ATOM 1175 O GLU A 73 14.023 -2.987 4.939 1.00 0.00 O ATOM 1176 CB GLU A 73 16.787 -2.761 6.751 1.00 0.00 C ATOM 1177 CG GLU A 73 17.201 -4.115 7.330 1.00 0.00 C ATOM 1178 CD GLU A 73 17.624 -3.979 8.794 1.00 0.00 C ATOM 1179 OE1 GLU A 73 18.770 -3.533 9.016 1.00 0.00 O ATOM 1180 OE2 GLU A 73 16.790 -4.324 9.660 1.00 0.00 O ATOM 0 H GLU A 73 18.192 -1.872 4.913 1.00 0.00 H new ATOM 0 HA GLU A 73 16.346 -3.954 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.608 -2.052 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.948 -2.360 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.371 -4.817 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.024 -4.528 6.747 1.00 0.00 H new ATOM 1187 N GLU A 74 15.016 -0.956 4.887 1.00 0.00 N ATOM 1188 CA GLU A 74 13.779 -0.234 4.635 1.00 0.00 C ATOM 1189 C GLU A 74 13.245 -0.567 3.240 1.00 0.00 C ATOM 1190 O GLU A 74 12.050 -0.803 3.070 1.00 0.00 O ATOM 1191 CB GLU A 74 13.981 1.273 4.801 1.00 0.00 C ATOM 1192 CG GLU A 74 13.766 1.699 6.255 1.00 0.00 C ATOM 1193 CD GLU A 74 15.003 1.396 7.103 1.00 0.00 C ATOM 1194 OE1 GLU A 74 16.115 1.500 6.542 1.00 0.00 O ATOM 1195 OE2 GLU A 74 14.808 1.069 8.294 1.00 0.00 O ATOM 0 H GLU A 74 15.847 -0.368 4.953 1.00 0.00 H new ATOM 0 HA GLU A 74 13.039 -0.551 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.988 1.546 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.287 1.810 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.544 2.765 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.902 1.178 6.667 1.00 0.00 H new ATOM 1202 N LEU A 75 14.156 -0.574 2.279 1.00 0.00 N ATOM 1203 CA LEU A 75 13.793 -0.873 0.904 1.00 0.00 C ATOM 1204 C LEU A 75 13.129 -2.250 0.846 1.00 0.00 C ATOM 1205 O LEU A 75 12.123 -2.429 0.160 1.00 0.00 O ATOM 1206 CB LEU A 75 15.008 -0.736 -0.014 1.00 0.00 C ATOM 1207 CG LEU A 75 14.708 -0.599 -1.508 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.662 0.398 -2.169 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.733 -1.963 -2.201 1.00 0.00 C ATOM 0 H LEU A 75 15.146 -0.377 2.425 1.00 0.00 H new ATOM 0 HA LEU A 75 13.064 -0.151 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.581 0.135 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.647 -1.607 0.130 1.00 0.00 H new ATOM 0 HG LEU A 75 13.699 -0.202 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.428 0.477 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.550 1.375 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.689 0.053 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.517 -1.836 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.719 -2.413 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.981 -2.613 -1.753 1.00 0.00 H new ATOM 1221 N ARG A 76 13.717 -3.187 1.573 1.00 0.00 N ATOM 1222 CA ARG A 76 13.195 -4.542 1.613 1.00 0.00 C ATOM 1223 C ARG A 76 11.771 -4.548 2.172 1.00 0.00 C ATOM 1224 O ARG A 76 10.862 -5.103 1.559 1.00 0.00 O ATOM 1225 CB ARG A 76 14.078 -5.448 2.475 1.00 0.00 C ATOM 1226 CG ARG A 76 14.032 -6.894 1.978 1.00 0.00 C ATOM 1227 CD ARG A 76 14.496 -7.863 3.065 1.00 0.00 C ATOM 1228 NE ARG A 76 15.912 -8.233 2.842 1.00 0.00 N ATOM 1229 CZ ARG A 76 16.955 -7.517 3.284 1.00 0.00 C ATOM 1230 NH1 ARG A 76 16.746 -6.388 3.975 1.00 0.00 N ATOM 1231 NH2 ARG A 76 18.205 -7.928 3.035 1.00 0.00 N ATOM 0 H ARG A 76 14.551 -3.035 2.140 1.00 0.00 H new ATOM 0 HA ARG A 76 13.189 -4.924 0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.106 -5.086 2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.745 -5.406 3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.016 -7.145 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.665 -7.000 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.382 -7.403 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.872 -8.757 3.057 1.00 0.00 H new ATOM 0 HE ARG A 76 16.106 -9.087 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.794 -6.075 4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.539 -5.842 4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.364 -8.787 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.998 -7.382 3.372 1.00 0.00 H new ATOM 1245 N SER A 77 11.623 -3.921 3.330 1.00 0.00 N ATOM 1246 CA SER A 77 10.325 -3.846 3.979 1.00 0.00 C ATOM 1247 C SER A 77 9.295 -3.244 3.020 1.00 0.00 C ATOM 1248 O SER A 77 8.120 -3.608 3.059 1.00 0.00 O ATOM 1249 CB SER A 77 10.399 -3.020 5.264 1.00 0.00 C ATOM 1250 OG SER A 77 10.058 -3.790 6.414 1.00 0.00 O ATOM 0 H SER A 77 12.380 -3.461 3.835 1.00 0.00 H new ATOM 0 HA SER A 77 10.017 -4.857 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.406 -2.621 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.725 -2.167 5.186 1.00 0.00 H new ATOM 0 HG SER A 77 10.119 -3.227 7.214 1.00 0.00 H new ATOM 1256 N LEU A 78 9.773 -2.336 2.183 1.00 0.00 N ATOM 1257 CA LEU A 78 8.908 -1.681 1.217 1.00 0.00 C ATOM 1258 C LEU A 78 8.447 -2.703 0.176 1.00 0.00 C ATOM 1259 O LEU A 78 7.262 -2.774 -0.147 1.00 0.00 O ATOM 1260 CB LEU A 78 9.606 -0.461 0.613 1.00 0.00 C ATOM 1261 CG LEU A 78 8.886 0.879 0.787 1.00 0.00 C ATOM 1262 CD1 LEU A 78 9.889 2.027 0.917 1.00 0.00 C ATOM 1263 CD2 LEU A 78 7.888 1.115 -0.348 1.00 0.00 C ATOM 0 H LEU A 78 10.748 -2.038 2.154 1.00 0.00 H new ATOM 0 HA LEU A 78 8.013 -1.298 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.598 -0.378 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.748 -0.639 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 78 8.316 0.844 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.352 2.967 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.526 1.857 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.505 2.075 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.390 2.073 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.416 1.123 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.146 0.317 -0.351 1.00 0.00 H new ATOM 1275 N TYR A 79 9.407 -3.470 -0.320 1.00 0.00 N ATOM 1276 CA TYR A 79 9.115 -4.484 -1.318 1.00 0.00 C ATOM 1277 C TYR A 79 8.058 -5.466 -0.808 1.00 0.00 C ATOM 1278 O TYR A 79 7.156 -5.853 -1.549 1.00 0.00 O ATOM 1279 CB TYR A 79 10.426 -5.239 -1.547 1.00 0.00 C ATOM 1280 CG TYR A 79 10.241 -6.647 -2.117 1.00 0.00 C ATOM 1281 CD1 TYR A 79 10.057 -6.825 -3.473 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.259 -7.740 -1.274 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.883 -8.150 -4.009 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.085 -9.065 -1.810 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.906 -9.204 -3.151 1.00 0.00 C ATOM 1286 OH TYR A 79 9.743 -10.457 -3.656 1.00 0.00 O ATOM 0 H TYR A 79 10.388 -3.409 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 79 8.731 -4.026 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.052 -4.662 -2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.963 -5.309 -0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.043 -5.970 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.404 -7.601 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.738 -8.303 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.096 -9.929 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 79 10.187 -11.106 -3.071 1.00 0.00 H new ATOM 1296 N ASN A 80 8.205 -5.840 0.455 1.00 0.00 N ATOM 1297 CA ASN A 80 7.274 -6.769 1.073 1.00 0.00 C ATOM 1298 C ASN A 80 5.886 -6.127 1.138 1.00 0.00 C ATOM 1299 O ASN A 80 4.888 -6.762 0.804 1.00 0.00 O ATOM 1300 CB ASN A 80 7.704 -7.112 2.501 1.00 0.00 C ATOM 1301 CG ASN A 80 8.824 -8.154 2.500 1.00 0.00 C ATOM 1302 OD1 ASN A 80 9.282 -8.611 1.466 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.239 -8.502 3.715 1.00 0.00 N ATOM 0 H ASN A 80 8.954 -5.517 1.067 1.00 0.00 H new ATOM 0 HA ASN A 80 7.258 -7.679 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.043 -6.209 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.849 -7.492 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.984 -9.190 3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.812 -8.080 4.540 1.00 0.00 H new ATOM 1310 N THR A 81 5.869 -4.875 1.570 1.00 0.00 N ATOM 1311 CA THR A 81 4.621 -4.139 1.683 1.00 0.00 C ATOM 1312 C THR A 81 3.945 -4.023 0.317 1.00 0.00 C ATOM 1313 O THR A 81 2.734 -4.208 0.201 1.00 0.00 O ATOM 1314 CB THR A 81 4.928 -2.785 2.326 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.239 -3.106 3.679 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.689 -1.893 2.432 1.00 0.00 C ATOM 0 H THR A 81 6.700 -4.351 1.846 1.00 0.00 H new ATOM 0 HA THR A 81 3.908 -4.664 2.319 1.00 0.00 H new ATOM 0 HB THR A 81 5.696 -2.274 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.191 -3.326 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.962 -0.945 2.895 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.288 -1.708 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.934 -2.390 3.041 1.00 0.00 H new ATOM 1324 N ILE A 82 4.755 -3.719 -0.686 1.00 0.00 N ATOM 1325 CA ILE A 82 4.250 -3.576 -2.041 1.00 0.00 C ATOM 1326 C ILE A 82 3.660 -4.911 -2.502 1.00 0.00 C ATOM 1327 O ILE A 82 2.637 -4.937 -3.187 1.00 0.00 O ATOM 1328 CB ILE A 82 5.342 -3.035 -2.965 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.895 -1.708 -2.441 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.833 -2.916 -4.404 1.00 0.00 C ATOM 1331 CD1 ILE A 82 7.387 -1.575 -2.753 1.00 0.00 C ATOM 0 H ILE A 82 5.759 -3.568 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 82 3.445 -2.842 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 82 6.167 -3.747 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.350 -0.879 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.738 -1.644 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.629 -2.529 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.526 -3.898 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.982 -2.236 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.755 -0.623 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.932 -2.392 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.538 -1.615 -3.832 1.00 0.00 H new ATOM 1343 N ALA A 83 4.328 -5.985 -2.111 1.00 0.00 N ATOM 1344 CA ALA A 83 3.882 -7.318 -2.476 1.00 0.00 C ATOM 1345 C ALA A 83 2.479 -7.555 -1.912 1.00 0.00 C ATOM 1346 O ALA A 83 1.592 -8.023 -2.622 1.00 0.00 O ATOM 1347 CB ALA A 83 4.894 -8.350 -1.976 1.00 0.00 C ATOM 0 H ALA A 83 5.176 -5.959 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 83 3.822 -7.419 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.559 -9.350 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.866 -8.156 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.979 -8.280 -0.892 1.00 0.00 H new ATOM 1353 N VAL A 84 2.325 -7.221 -0.638 1.00 0.00 N ATOM 1354 CA VAL A 84 1.046 -7.391 0.029 1.00 0.00 C ATOM 1355 C VAL A 84 -0.016 -6.561 -0.693 1.00 0.00 C ATOM 1356 O VAL A 84 -1.151 -7.006 -0.859 1.00 0.00 O ATOM 1357 CB VAL A 84 1.179 -7.035 1.511 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.196 -6.823 2.149 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.972 -8.105 2.264 1.00 0.00 C ATOM 0 H VAL A 84 3.064 -6.834 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 84 0.727 -8.433 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 84 1.731 -6.098 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.073 -6.571 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.712 -6.010 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.783 -7.737 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.051 -7.827 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.460 -9.064 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.970 -8.188 1.834 1.00 0.00 H new ATOM 1369 N LEU A 85 0.389 -5.368 -1.103 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.514 -4.470 -1.803 1.00 0.00 C ATOM 1371 C LEU A 85 -1.024 -5.156 -3.072 1.00 0.00 C ATOM 1372 O LEU A 85 -2.217 -5.107 -3.372 1.00 0.00 O ATOM 1373 CB LEU A 85 0.163 -3.123 -2.062 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.745 -2.005 -2.580 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.440 -1.283 -1.424 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.033 -1.038 -3.475 1.00 0.00 C ATOM 0 H LEU A 85 1.331 -5.002 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.385 -4.249 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.626 -2.787 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.966 -3.275 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.525 -2.455 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.079 -0.494 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.047 -1.994 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.690 -0.846 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.635 -0.253 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.848 -0.591 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.441 -1.580 -4.328 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.096 -5.779 -3.784 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.438 -6.473 -5.014 1.00 0.00 C ATOM 1390 C TYR A 86 -1.395 -7.635 -4.740 1.00 0.00 C ATOM 1391 O TYR A 86 -2.327 -7.869 -5.508 1.00 0.00 O ATOM 1392 CB TYR A 86 0.878 -7.031 -5.561 1.00 0.00 C ATOM 1393 CG TYR A 86 0.705 -7.970 -6.757 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.458 -9.312 -6.550 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.799 -7.475 -8.042 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.295 -10.195 -7.675 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.636 -8.360 -9.167 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.393 -9.676 -8.928 1.00 0.00 C ATOM 1399 OH TYR A 86 0.240 -10.511 -9.991 1.00 0.00 O ATOM 0 H TYR A 86 0.892 -5.818 -3.533 1.00 0.00 H new ATOM 0 HA TYR A 86 -0.930 -5.797 -5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.520 -6.200 -5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.394 -7.566 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.387 -9.699 -5.544 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.995 -6.425 -8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.099 -11.247 -7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.705 -7.986 -10.178 1.00 0.00 H new ATOM 0 HH TYR A 86 0.334 -10.002 -10.823 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.132 -8.331 -3.644 1.00 0.00 N ATOM 1410 CA CYS A 87 -1.960 -9.462 -3.260 1.00 0.00 C ATOM 1411 C CYS A 87 -3.398 -8.970 -3.087 1.00 0.00 C ATOM 1412 O CYS A 87 -4.338 -9.614 -3.547 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.433 -10.144 -1.994 1.00 0.00 C ATOM 1414 SG CYS A 87 -2.713 -11.257 -1.306 1.00 0.00 S ATOM 0 H CYS A 87 -0.358 -8.134 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.930 -10.220 -4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.531 -10.711 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.156 -9.393 -1.254 1.00 0.00 H new ATOM 0 HG CYS A 87 -3.795 -10.578 -1.066 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.523 -7.830 -2.422 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.830 -7.243 -2.183 1.00 0.00 C ATOM 1422 C VAL A 88 -5.447 -6.822 -3.518 1.00 0.00 C ATOM 1423 O VAL A 88 -6.657 -6.936 -3.710 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.710 -6.086 -1.188 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -6.080 -5.469 -0.899 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -4.031 -6.544 0.105 1.00 0.00 C ATOM 0 H VAL A 88 -2.740 -7.298 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.500 -7.974 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.084 -5.317 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.967 -4.649 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.511 -5.090 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.739 -6.227 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.958 -5.703 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.619 -7.339 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.032 -6.916 -0.121 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.588 -6.344 -4.406 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.034 -5.905 -5.717 1.00 0.00 C ATOM 1438 C HIS A 89 -5.457 -7.118 -6.548 1.00 0.00 C ATOM 1439 O HIS A 89 -6.249 -6.990 -7.481 1.00 0.00 O ATOM 1440 CB HIS A 89 -3.957 -5.063 -6.403 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.613 -3.788 -5.670 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.198 -3.435 -4.466 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.739 -2.788 -5.981 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -3.692 -2.273 -4.080 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -2.789 -1.874 -5.020 1.00 0.00 N ATOM 0 H HIS A 89 -3.585 -6.251 -4.243 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.906 -5.259 -5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.054 -5.664 -6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.293 -4.812 -7.409 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -4.899 -3.977 -3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -2.113 -2.747 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.950 -1.736 -3.179 1.00 0.00 H new ATOM 1454 N GLN A 90 -4.910 -8.267 -6.180 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.220 -9.502 -6.880 1.00 0.00 C ATOM 1456 C GLN A 90 -6.372 -10.231 -6.185 1.00 0.00 C ATOM 1457 O GLN A 90 -6.983 -11.128 -6.763 1.00 0.00 O ATOM 1458 CB GLN A 90 -3.986 -10.400 -6.982 1.00 0.00 C ATOM 1459 CG GLN A 90 -2.985 -9.844 -7.997 1.00 0.00 C ATOM 1460 CD GLN A 90 -3.599 -9.791 -9.398 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -4.527 -10.512 -9.725 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -3.030 -8.899 -10.204 1.00 0.00 N ATOM 0 H GLN A 90 -4.254 -8.369 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.532 -9.253 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.510 -10.483 -6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.287 -11.405 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.672 -8.845 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.091 -10.467 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.256 -8.327 -9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.368 -8.787 -11.160 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.635 -9.818 -4.953 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.702 -10.420 -4.173 1.00 0.00 C ATOM 1473 C ARG A 91 -7.306 -11.830 -3.731 1.00 0.00 C ATOM 1474 O ARG A 91 -8.053 -12.784 -3.943 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.000 -10.492 -4.979 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.214 -10.208 -4.092 1.00 0.00 C ATOM 1477 CD ARG A 91 -11.412 -9.755 -4.929 1.00 0.00 C ATOM 1478 NE ARG A 91 -12.667 -9.974 -4.175 1.00 0.00 N ATOM 1479 CZ ARG A 91 -13.825 -9.356 -4.449 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -13.894 -8.479 -5.460 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -14.913 -9.616 -3.713 1.00 0.00 N ATOM 0 H ARG A 91 -6.127 -9.073 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.866 -9.793 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.965 -9.771 -5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.098 -11.480 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.476 -11.105 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.964 -9.438 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.310 -8.700 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.441 -10.308 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.650 -10.636 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.066 -8.282 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.775 -8.009 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.861 -10.284 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.794 -9.146 -3.921 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.131 -11.917 -3.124 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.627 -13.195 -2.651 1.00 0.00 C ATOM 1497 C ILE A 92 -5.646 -13.210 -1.121 1.00 0.00 C ATOM 1498 O ILE A 92 -5.188 -12.265 -0.481 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.250 -13.483 -3.252 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.376 -14.037 -4.672 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.440 -14.412 -2.344 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -3.424 -13.314 -5.629 1.00 0.00 C ATOM 0 H ILE A 92 -5.514 -11.124 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.272 -14.007 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.704 -12.542 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.155 -15.104 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.403 -13.924 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.465 -14.601 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.305 -13.942 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.972 -15.355 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.533 -13.727 -6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.663 -12.251 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.397 -13.449 -5.291 1.00 0.00 H new ATOM 1514 N ASP A 93 -6.181 -14.294 -0.578 1.00 0.00 N ATOM 1515 CA ASP A 93 -6.266 -14.444 0.865 1.00 0.00 C ATOM 1516 C ASP A 93 -4.860 -14.379 1.464 1.00 0.00 C ATOM 1517 O ASP A 93 -3.943 -15.042 0.979 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.879 -15.794 1.243 1.00 0.00 C ATOM 1519 CG ASP A 93 -8.404 -15.860 1.155 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -8.962 -15.069 0.364 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -8.980 -16.698 1.883 1.00 0.00 O ATOM 0 H ASP A 93 -6.560 -15.077 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.895 -13.642 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.459 -16.561 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.578 -16.040 2.261 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.732 -13.574 2.509 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.453 -13.414 3.179 1.00 0.00 C ATOM 1528 C VAL A 94 -3.692 -13.113 4.660 1.00 0.00 C ATOM 1529 O VAL A 94 -4.827 -12.884 5.075 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.626 -12.336 2.475 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.981 -12.885 1.201 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.478 -11.102 2.171 1.00 0.00 C ATOM 0 H VAL A 94 -5.494 -13.025 2.908 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.875 -14.336 3.125 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.827 -12.032 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.399 -12.099 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.325 -13.718 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.758 -13.230 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.866 -10.352 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.308 -11.384 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.868 -10.691 3.102 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.604 -13.123 5.416 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.682 -12.854 6.841 1.00 0.00 C ATOM 1544 C LYS A 95 -1.461 -12.037 7.269 1.00 0.00 C ATOM 1545 O LYS A 95 -1.594 -11.037 7.973 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.854 -14.158 7.624 1.00 0.00 C ATOM 1547 CG LYS A 95 -1.904 -15.239 7.105 1.00 0.00 C ATOM 1548 CD LYS A 95 -2.672 -16.507 6.726 1.00 0.00 C ATOM 1549 CE LYS A 95 -1.983 -17.752 7.286 1.00 0.00 C ATOM 1550 NZ LYS A 95 -2.980 -18.683 7.859 1.00 0.00 N ATOM 0 H LYS A 95 -1.664 -13.313 5.068 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.563 -12.254 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.663 -13.979 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.884 -14.504 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.361 -14.865 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.162 -15.473 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.691 -16.448 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.743 -16.583 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.423 -18.251 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.264 -17.463 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.495 -19.523 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.496 -18.209 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.650 -18.973 7.118 1.00 0.00 H new ATOM 1564 N ASP A 96 -0.299 -12.492 6.824 1.00 0.00 N ATOM 1565 CA ASP A 96 0.945 -11.815 7.151 1.00 0.00 C ATOM 1566 C ASP A 96 1.596 -11.304 5.864 1.00 0.00 C ATOM 1567 O ASP A 96 1.256 -11.754 4.771 1.00 0.00 O ATOM 1568 CB ASP A 96 1.928 -12.770 7.832 1.00 0.00 C ATOM 1569 CG ASP A 96 1.934 -14.196 7.279 1.00 0.00 C ATOM 1570 OD1 ASP A 96 0.838 -14.797 7.249 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.033 -14.652 6.898 1.00 0.00 O ATOM 0 H ASP A 96 -0.192 -13.321 6.240 1.00 0.00 H new ATOM 0 HA ASP A 96 0.714 -10.992 7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.933 -12.358 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.694 -12.810 8.896 1.00 0.00 H new ATOM 1576 N THR A 97 2.521 -10.371 6.037 1.00 0.00 N ATOM 1577 CA THR A 97 3.222 -9.793 4.904 1.00 0.00 C ATOM 1578 C THR A 97 4.054 -10.862 4.191 1.00 0.00 C ATOM 1579 O THR A 97 4.114 -10.890 2.963 1.00 0.00 O ATOM 1580 CB THR A 97 4.055 -8.615 5.413 1.00 0.00 C ATOM 1581 OG1 THR A 97 4.925 -8.309 4.326 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.001 -9.014 6.547 1.00 0.00 C ATOM 0 H THR A 97 2.801 -10.001 6.945 1.00 0.00 H new ATOM 0 HA THR A 97 2.523 -9.416 4.157 1.00 0.00 H new ATOM 0 HB THR A 97 3.390 -7.822 5.757 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.737 -7.404 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.568 -8.142 6.871 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.422 -9.402 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.688 -9.783 6.194 1.00 0.00 H new ATOM 1590 N LYS A 98 4.675 -11.715 4.992 1.00 0.00 N ATOM 1591 CA LYS A 98 5.500 -12.783 4.454 1.00 0.00 C ATOM 1592 C LYS A 98 4.610 -13.789 3.721 1.00 0.00 C ATOM 1593 O LYS A 98 4.982 -14.296 2.664 1.00 0.00 O ATOM 1594 CB LYS A 98 6.355 -13.408 5.558 1.00 0.00 C ATOM 1595 CG LYS A 98 7.309 -14.457 4.984 1.00 0.00 C ATOM 1596 CD LYS A 98 8.658 -13.832 4.619 1.00 0.00 C ATOM 1597 CE LYS A 98 9.742 -14.247 5.615 1.00 0.00 C ATOM 1598 NZ LYS A 98 10.938 -13.388 5.467 1.00 0.00 N ATOM 0 H LYS A 98 4.623 -11.688 6.010 1.00 0.00 H new ATOM 0 HA LYS A 98 6.205 -12.388 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.926 -12.630 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.710 -13.868 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.459 -15.254 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.864 -14.913 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.946 -14.140 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.568 -12.746 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.357 -14.173 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.014 -15.290 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.664 -13.683 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.314 -13.479 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.678 -12.397 5.645 1.00 0.00 H new ATOM 1612 N GLU A 99 3.453 -14.047 4.312 1.00 0.00 N ATOM 1613 CA GLU A 99 2.507 -14.984 3.727 1.00 0.00 C ATOM 1614 C GLU A 99 1.963 -14.435 2.407 1.00 0.00 C ATOM 1615 O GLU A 99 1.726 -15.192 1.467 1.00 0.00 O ATOM 1616 CB GLU A 99 1.371 -15.294 4.703 1.00 0.00 C ATOM 1617 CG GLU A 99 0.265 -16.101 4.017 1.00 0.00 C ATOM 1618 CD GLU A 99 0.726 -17.533 3.736 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.384 -18.104 4.633 1.00 0.00 O ATOM 1620 OE2 GLU A 99 0.408 -18.024 2.631 1.00 0.00 O ATOM 0 H GLU A 99 3.149 -13.624 5.189 1.00 0.00 H new ATOM 0 HA GLU A 99 3.030 -15.918 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.760 -15.853 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.959 -14.364 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.623 -16.118 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.018 -15.616 3.083 1.00 0.00 H new ATOM 1627 N ALA A 100 1.782 -13.122 2.379 1.00 0.00 N ATOM 1628 CA ALA A 100 1.270 -12.463 1.190 1.00 0.00 C ATOM 1629 C ALA A 100 2.346 -12.475 0.102 1.00 0.00 C ATOM 1630 O ALA A 100 2.081 -12.863 -1.035 1.00 0.00 O ATOM 1631 CB ALA A 100 0.816 -11.046 1.545 1.00 0.00 C ATOM 0 H ALA A 100 1.981 -12.498 3.161 1.00 0.00 H new ATOM 0 HA ALA A 100 0.402 -12.995 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.432 -10.553 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.031 -11.094 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.661 -10.481 1.937 1.00 0.00 H new ATOM 1637 N LEU A 101 3.538 -12.046 0.489 1.00 0.00 N ATOM 1638 CA LEU A 101 4.655 -12.002 -0.439 1.00 0.00 C ATOM 1639 C LEU A 101 4.924 -13.410 -0.974 1.00 0.00 C ATOM 1640 O LEU A 101 5.174 -13.588 -2.165 1.00 0.00 O ATOM 1641 CB LEU A 101 5.874 -11.352 0.220 1.00 0.00 C ATOM 1642 CG LEU A 101 7.215 -11.580 -0.478 1.00 0.00 C ATOM 1643 CD1 LEU A 101 7.414 -10.585 -1.624 1.00 0.00 C ATOM 1644 CD2 LEU A 101 8.371 -11.537 0.524 1.00 0.00 C ATOM 0 H LEU A 101 3.755 -11.726 1.433 1.00 0.00 H new ATOM 0 HA LEU A 101 4.412 -11.375 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.698 -10.278 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.951 -11.724 1.242 1.00 0.00 H new ATOM 0 HG LEU A 101 7.205 -12.578 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.375 -10.769 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.615 -10.707 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.394 -9.569 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.313 -11.702 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.393 -10.563 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.232 -12.316 1.274 1.00 0.00 H new ATOM 1656 N ASP A 102 4.863 -14.374 -0.068 1.00 0.00 N ATOM 1657 CA ASP A 102 5.097 -15.761 -0.434 1.00 0.00 C ATOM 1658 C ASP A 102 3.914 -16.272 -1.259 1.00 0.00 C ATOM 1659 O ASP A 102 4.084 -17.119 -2.135 1.00 0.00 O ATOM 1660 CB ASP A 102 5.223 -16.645 0.809 1.00 0.00 C ATOM 1661 CG ASP A 102 5.990 -17.951 0.598 1.00 0.00 C ATOM 1662 OD1 ASP A 102 6.923 -17.933 -0.235 1.00 0.00 O ATOM 1663 OD2 ASP A 102 5.629 -18.938 1.275 1.00 0.00 O ATOM 0 H ASP A 102 4.655 -14.223 0.919 1.00 0.00 H new ATOM 0 HA ASP A 102 6.024 -15.808 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.718 -16.073 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.222 -16.883 1.170 1.00 0.00 H new ATOM 1668 N LYS A 103 2.742 -15.735 -0.951 1.00 0.00 N ATOM 1669 CA LYS A 103 1.532 -16.127 -1.653 1.00 0.00 C ATOM 1670 C LYS A 103 1.636 -15.697 -3.119 1.00 0.00 C ATOM 1671 O LYS A 103 1.387 -16.494 -4.023 1.00 0.00 O ATOM 1672 CB LYS A 103 0.296 -15.577 -0.939 1.00 0.00 C ATOM 1673 CG LYS A 103 -0.330 -16.639 -0.033 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.956 -17.765 -0.857 1.00 0.00 C ATOM 1675 CE LYS A 103 -0.153 -19.059 -0.718 1.00 0.00 C ATOM 1676 NZ LYS A 103 -0.975 -20.114 -0.083 1.00 0.00 N ATOM 0 H LYS A 103 2.605 -15.032 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 103 1.421 -17.211 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.572 -14.705 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.436 -15.244 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.431 -17.050 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.091 -16.180 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.982 -17.933 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.000 -17.471 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.183 -19.393 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.740 -18.877 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.414 -20.986 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.274 -19.799 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.815 -20.299 -0.668 1.00 0.00 H new ATOM 1690 N ILE A 104 2.007 -14.439 -3.308 1.00 0.00 N ATOM 1691 CA ILE A 104 2.147 -13.894 -4.648 1.00 0.00 C ATOM 1692 C ILE A 104 3.388 -14.496 -5.311 1.00 0.00 C ATOM 1693 O ILE A 104 3.388 -14.759 -6.513 1.00 0.00 O ATOM 1694 CB ILE A 104 2.153 -12.365 -4.607 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.372 -11.841 -3.843 1.00 0.00 C ATOM 1696 CG2 ILE A 104 0.842 -11.827 -4.031 1.00 0.00 C ATOM 1697 CD1 ILE A 104 3.336 -10.316 -3.734 1.00 0.00 C ATOM 0 H ILE A 104 2.215 -13.782 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 104 1.290 -14.170 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 104 2.231 -11.997 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.397 -12.280 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.285 -12.151 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.872 -10.738 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.009 -12.156 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.709 -12.203 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.213 -9.970 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.336 -9.880 -4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.434 -10.010 -3.204 1.00 0.00 H new ATOM 1709 N GLU A 105 4.415 -14.697 -4.498 1.00 0.00 N ATOM 1710 CA GLU A 105 5.659 -15.264 -4.991 1.00 0.00 C ATOM 1711 C GLU A 105 5.429 -16.687 -5.500 1.00 0.00 C ATOM 1712 O GLU A 105 5.988 -17.083 -6.521 1.00 0.00 O ATOM 1713 CB GLU A 105 6.741 -15.235 -3.909 1.00 0.00 C ATOM 1714 CG GLU A 105 7.550 -13.938 -3.977 1.00 0.00 C ATOM 1715 CD GLU A 105 8.935 -14.123 -3.352 1.00 0.00 C ATOM 1716 OE1 GLU A 105 8.989 -14.734 -2.263 1.00 0.00 O ATOM 1717 OE2 GLU A 105 9.907 -13.649 -3.979 1.00 0.00 O ATOM 0 H GLU A 105 4.411 -14.478 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 105 6.009 -14.654 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.280 -15.329 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.406 -16.090 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.655 -13.624 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.015 -13.144 -3.456 1.00 0.00 H new