USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 83 ASN : amide:sc= 0.876 K(o=2.4,f=-7.3!) USER MOD Set 1.2: B 122 LYS NZ :NH3+ -151:sc= 1.52 (180deg=-3!) USER MOD Set 2.1: B 114 THR OG1 : rot 85:sc= 1.5 USER MOD Set 2.2: B 117 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.102) USER MOD Set 3.1: B 108 TYR OH : rot -157:sc= 1.25 USER MOD Set 3.2: B 112 GLN : amide:sc= 0.18 K(o=1.4,f=0.24) USER MOD Set 4.1: A 123 LYS NZ :NH3+ -163:sc= 1.39 (180deg=0.906) USER MOD Set 4.2: B 82 SER OG : rot 18:sc= 1.11 USER MOD Set 5.1: A 122 LYS NZ :NH3+ 166:sc= 2.31 (180deg=0.534) USER MOD Set 5.2: B 83 ASN : amide:sc= 0.99 K(o=3.3,f=-1.2) USER MOD Set 6.1: A 114 THR OG1 : rot 83:sc= 1.48 USER MOD Set 6.2: A 117 LYS NZ :NH3+ 177:sc= 0.857 (180deg=-0.251) USER MOD Set 7.1: A 97 GLN : amide:sc= 1.12 K(o=2.3,f=0.55) USER MOD Set 7.2: A 108 TYR OH : rot 26:sc= 1.15 USER MOD Set 8.1: A 82 SER OG : rot -131:sc= -0.849 USER MOD Set 8.2: B 123 LYS NZ :NH3+ 149:sc= 1.36 (180deg=0.481) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 71 CYS SG : rot 18:sc= 1.19 USER MOD Single : A 79 TYR OH : rot 23:sc= 0.468 USER MOD Single : A 81 GLN : amide:sc= 0.847 K(o=0.85,f=-0.15) USER MOD Single : A 88 SER OG : rot -72:sc= 0.613 USER MOD Single : A 96 ASN : amide:sc= 0.462 K(o=0.46,f=-0.33) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 101 SER OG : rot 180:sc= 0.236 USER MOD Single : A 103 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 107 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.24) USER MOD Single : A 111 THR OG1 : rot 75:sc= 0.948 USER MOD Single : A 112 GLN : amide:sc= 1 K(o=1,f=-0.6) USER MOD Single : A 115 TYR OH : rot -90:sc= 0.919 USER MOD Single : A 120 ASN : amide:sc= -0.794 K(o=-0.79,f=-1.7) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 TYR OH : rot -170:sc= 0.7 USER MOD Single : B 69 SER OG : rot 22:sc= 0.398 USER MOD Single : B 71 CYS SG : rot 46:sc= 1.38 USER MOD Single : B 79 TYR OH : rot 17:sc= 1.18 USER MOD Single : B 81 GLN : amide:sc= 1.16 K(o=1.2,f=-0.46) USER MOD Single : B 88 SER OG : rot 81:sc= 0.726 USER MOD Single : B 96 ASN : amide:sc= 1.13 K(o=1.1,f=-0.16) USER MOD Single : B 97 GLN : amide:sc= 0.955 K(o=0.95,f=-1.2) USER MOD Single : B 100 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.62) USER MOD Single : B 101 SER OG : rot 33:sc= 1.26 USER MOD Single : B 103 GLN : amide:sc= -0.0482 X(o=-0.048,f=-0.048) USER MOD Single : B 107 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.8) USER MOD Single : B 111 THR OG1 : rot 78:sc= 0.991 USER MOD Single : B 115 TYR OH : rot -27:sc= 1.03 USER MOD Single : B 120 ASN : amide:sc= 0.601 K(o=0.6,f=-6.5!) USER MOD Single : B 121 GLN : amide:sc= -0.0236 K(o=-0.024,f=-2.1!) USER MOD Single : B 125 TYR OH : rot 180:sc= -0.0217 USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -6.780 8.597 -6.686 1.00 0.00 N ATOM 115 CA LEU A 68 -7.879 8.279 -5.771 1.00 0.00 C ATOM 116 C LEU A 68 -9.269 8.510 -6.401 1.00 0.00 C ATOM 117 O LEU A 68 -10.022 9.413 -6.042 1.00 0.00 O ATOM 118 CB LEU A 68 -7.662 8.948 -4.401 1.00 0.00 C ATOM 119 CG LEU A 68 -6.827 8.064 -3.456 1.00 0.00 C ATOM 120 CD1 LEU A 68 -5.412 7.803 -3.978 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.737 8.743 -2.085 1.00 0.00 C ATOM 0 HA LEU A 68 -7.866 7.206 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.160 9.906 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.628 9.158 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.330 7.099 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.873 7.175 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.467 7.297 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.887 8.751 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.147 8.123 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.261 9.718 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.739 8.872 -1.676 1.00 0.00 H new ATOM 133 N SER A 69 -9.623 7.633 -7.339 1.00 0.00 N ATOM 134 CA SER A 69 -10.971 7.468 -7.878 1.00 0.00 C ATOM 135 C SER A 69 -11.839 6.551 -7.000 1.00 0.00 C ATOM 136 O SER A 69 -11.376 5.988 -6.012 1.00 0.00 O ATOM 137 CB SER A 69 -10.846 6.877 -9.282 1.00 0.00 C ATOM 138 OG SER A 69 -12.020 7.077 -10.052 1.00 0.00 O ATOM 0 H SER A 69 -8.951 6.992 -7.761 1.00 0.00 H new ATOM 0 HA SER A 69 -11.463 8.440 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.997 7.332 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.639 5.809 -9.208 1.00 0.00 H new ATOM 0 HG SER A 69 -11.898 6.686 -10.942 1.00 0.00 H new ATOM 144 N ALA A 70 -13.103 6.375 -7.390 1.00 0.00 N ATOM 145 CA ALA A 70 -14.130 5.678 -6.610 1.00 0.00 C ATOM 146 C ALA A 70 -13.671 4.344 -5.988 1.00 0.00 C ATOM 147 O ALA A 70 -13.667 4.194 -4.770 1.00 0.00 O ATOM 148 CB ALA A 70 -15.372 5.486 -7.486 1.00 0.00 C ATOM 0 H ALA A 70 -13.451 6.723 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.360 6.309 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.143 4.968 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.747 6.459 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.111 4.894 -8.363 1.00 0.00 H new ATOM 154 N CYS A 71 -13.300 3.367 -6.817 1.00 0.00 N ATOM 155 CA CYS A 71 -12.925 2.035 -6.352 1.00 0.00 C ATOM 156 C CYS A 71 -11.753 2.030 -5.361 1.00 0.00 C ATOM 157 O CYS A 71 -11.888 1.510 -4.253 1.00 0.00 O ATOM 158 CB CYS A 71 -12.694 1.092 -7.539 1.00 0.00 C ATOM 159 SG CYS A 71 -11.658 1.791 -8.854 1.00 0.00 S ATOM 0 H CYS A 71 -13.252 3.479 -7.830 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.770 1.657 -5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.230 0.175 -7.175 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.660 0.815 -7.962 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.996 2.809 -8.390 1.00 0.00 H new ATOM 165 N GLU A 72 -10.601 2.602 -5.712 1.00 0.00 N ATOM 166 CA GLU A 72 -9.490 2.660 -4.774 1.00 0.00 C ATOM 167 C GLU A 72 -9.854 3.448 -3.500 1.00 0.00 C ATOM 168 O GLU A 72 -9.538 3.003 -2.405 1.00 0.00 O ATOM 169 CB GLU A 72 -8.196 3.112 -5.470 1.00 0.00 C ATOM 170 CG GLU A 72 -8.265 4.494 -6.144 1.00 0.00 C ATOM 171 CD GLU A 72 -8.722 4.496 -7.589 1.00 0.00 C ATOM 172 OE1 GLU A 72 -9.462 3.586 -8.017 1.00 0.00 O ATOM 173 OE2 GLU A 72 -8.338 5.444 -8.301 1.00 0.00 O ATOM 0 H GLU A 72 -10.418 3.023 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.282 1.651 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.391 3.123 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.929 2.371 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.940 5.126 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.278 4.953 -6.093 1.00 0.00 H new ATOM 180 N VAL A 73 -10.589 4.561 -3.603 1.00 0.00 N ATOM 181 CA VAL A 73 -11.062 5.300 -2.427 1.00 0.00 C ATOM 182 C VAL A 73 -11.936 4.423 -1.517 1.00 0.00 C ATOM 183 O VAL A 73 -11.756 4.402 -0.306 1.00 0.00 O ATOM 184 CB VAL A 73 -11.784 6.586 -2.865 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.519 7.265 -1.706 1.00 0.00 C ATOM 186 CG2 VAL A 73 -10.756 7.588 -3.395 1.00 0.00 C ATOM 0 H VAL A 73 -10.870 4.971 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.197 5.588 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.508 6.298 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.012 8.168 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.265 6.582 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.804 7.529 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.264 8.501 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.038 7.823 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.232 7.156 -4.248 1.00 0.00 H new ATOM 196 N ALA A 74 -12.863 3.666 -2.102 1.00 0.00 N ATOM 197 CA ALA A 74 -13.766 2.797 -1.347 1.00 0.00 C ATOM 198 C ALA A 74 -12.990 1.769 -0.507 1.00 0.00 C ATOM 199 O ALA A 74 -13.315 1.495 0.647 1.00 0.00 O ATOM 200 CB ALA A 74 -14.729 2.111 -2.322 1.00 0.00 C ATOM 0 H ALA A 74 -13.010 3.637 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.338 3.403 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.406 1.461 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.306 2.866 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.160 1.517 -3.038 1.00 0.00 H new ATOM 206 N VAL A 75 -11.948 1.184 -1.093 1.00 0.00 N ATOM 207 CA VAL A 75 -11.154 0.191 -0.375 1.00 0.00 C ATOM 208 C VAL A 75 -10.139 0.844 0.594 1.00 0.00 C ATOM 209 O VAL A 75 -9.966 0.365 1.712 1.00 0.00 O ATOM 210 CB VAL A 75 -10.585 -0.848 -1.350 1.00 0.00 C ATOM 211 CG1 VAL A 75 -10.060 -2.060 -0.573 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.706 -1.377 -2.255 1.00 0.00 C ATOM 0 H VAL A 75 -11.638 1.376 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.800 -0.377 0.295 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.793 -0.370 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.658 -2.794 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.274 -1.741 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.875 -2.509 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.298 -2.115 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.479 -1.842 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.138 -0.551 -2.820 1.00 0.00 H new ATOM 222 N LEU A 76 -9.512 1.968 0.225 1.00 0.00 N ATOM 223 CA LEU A 76 -8.802 2.873 1.152 1.00 0.00 C ATOM 224 C LEU A 76 -9.619 3.185 2.416 1.00 0.00 C ATOM 225 O LEU A 76 -9.093 3.166 3.525 1.00 0.00 O ATOM 226 CB LEU A 76 -8.409 4.157 0.413 1.00 0.00 C ATOM 227 CG LEU A 76 -7.077 4.107 -0.366 1.00 0.00 C ATOM 228 CD1 LEU A 76 -5.935 4.634 0.512 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.654 2.741 -0.928 1.00 0.00 C ATOM 0 H LEU A 76 -9.481 2.284 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.902 2.363 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.207 4.410 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.353 4.968 1.139 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.269 4.735 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.999 4.595 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.143 5.665 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.850 4.018 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.704 2.842 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.544 2.029 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.414 2.382 -1.621 1.00 0.00 H new ATOM 241 N ASP A 77 -10.916 3.430 2.256 1.00 0.00 N ATOM 242 CA ASP A 77 -11.797 3.714 3.383 1.00 0.00 C ATOM 243 C ASP A 77 -11.886 2.487 4.296 1.00 0.00 C ATOM 244 O ASP A 77 -11.564 2.558 5.488 1.00 0.00 O ATOM 245 CB ASP A 77 -13.167 4.172 2.874 1.00 0.00 C ATOM 246 CG ASP A 77 -14.160 4.205 4.019 1.00 0.00 C ATOM 247 OD1 ASP A 77 -14.142 5.200 4.768 1.00 0.00 O ATOM 248 OD2 ASP A 77 -14.876 3.196 4.180 1.00 0.00 O ATOM 0 H ASP A 77 -11.383 3.437 1.349 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.389 4.530 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.085 5.161 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.520 3.496 2.095 1.00 0.00 H new ATOM 253 N LEU A 78 -12.208 1.323 3.718 1.00 0.00 N ATOM 254 CA LEU A 78 -12.178 0.084 4.471 1.00 0.00 C ATOM 255 C LEU A 78 -10.837 -0.083 5.183 1.00 0.00 C ATOM 256 O LEU A 78 -10.813 -0.443 6.355 1.00 0.00 O ATOM 257 CB LEU A 78 -12.460 -1.115 3.559 1.00 0.00 C ATOM 258 CG LEU A 78 -13.895 -1.169 3.030 1.00 0.00 C ATOM 259 CD1 LEU A 78 -13.984 -2.203 1.904 1.00 0.00 C ATOM 260 CD2 LEU A 78 -14.902 -1.538 4.129 1.00 0.00 C ATOM 0 H LEU A 78 -12.488 1.223 2.742 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.963 0.127 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.773 -1.085 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.251 -2.033 4.108 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.148 -0.175 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.006 -2.243 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.309 -1.920 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.701 -3.183 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.907 -1.564 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.653 -2.518 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.861 -0.794 4.924 1.00 0.00 H new ATOM 272 N TYR A 79 -9.708 0.150 4.510 1.00 0.00 N ATOM 273 CA TYR A 79 -8.402 0.018 5.134 1.00 0.00 C ATOM 274 C TYR A 79 -8.252 0.924 6.363 1.00 0.00 C ATOM 275 O TYR A 79 -8.030 0.418 7.465 1.00 0.00 O ATOM 276 CB TYR A 79 -7.286 0.275 4.121 1.00 0.00 C ATOM 277 CG TYR A 79 -7.104 -0.794 3.067 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.879 -2.137 3.417 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.102 -0.430 1.716 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.812 -3.116 2.412 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.121 -1.408 0.725 1.00 0.00 C ATOM 282 CZ TYR A 79 -7.056 -2.753 1.080 1.00 0.00 C ATOM 283 OH TYR A 79 -7.050 -3.688 0.100 1.00 0.00 O ATOM 0 H TYR A 79 -9.679 0.432 3.530 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.316 -1.010 5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.484 1.223 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.347 0.390 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.758 -2.415 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.086 0.614 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.575 -4.139 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.186 -1.124 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.227 -4.570 0.488 1.00 0.00 H new ATOM 293 N GLU A 80 -8.378 2.238 6.207 1.00 0.00 N ATOM 294 CA GLU A 80 -8.081 3.165 7.291 1.00 0.00 C ATOM 295 C GLU A 80 -9.113 3.026 8.428 1.00 0.00 C ATOM 296 O GLU A 80 -8.741 2.921 9.599 1.00 0.00 O ATOM 297 CB GLU A 80 -7.931 4.587 6.728 1.00 0.00 C ATOM 298 CG GLU A 80 -6.793 4.709 5.683 1.00 0.00 C ATOM 299 CD GLU A 80 -5.377 4.422 6.174 1.00 0.00 C ATOM 300 OE1 GLU A 80 -5.126 4.577 7.389 1.00 0.00 O ATOM 301 OE2 GLU A 80 -4.534 4.076 5.314 1.00 0.00 O ATOM 0 H GLU A 80 -8.683 2.683 5.342 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.124 2.920 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.872 4.891 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.739 5.278 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.012 4.028 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.813 5.719 5.275 1.00 0.00 H new ATOM 308 N GLN A 81 -10.405 2.884 8.108 1.00 0.00 N ATOM 309 CA GLN A 81 -11.425 2.542 9.113 1.00 0.00 C ATOM 310 C GLN A 81 -11.141 1.197 9.815 1.00 0.00 C ATOM 311 O GLN A 81 -11.312 1.046 11.025 1.00 0.00 O ATOM 312 CB GLN A 81 -12.832 2.550 8.503 1.00 0.00 C ATOM 313 CG GLN A 81 -13.290 3.956 8.069 1.00 0.00 C ATOM 314 CD GLN A 81 -14.805 4.120 8.151 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.406 3.886 9.196 1.00 0.00 O ATOM 316 NE2 GLN A 81 -15.460 4.533 7.087 1.00 0.00 N ATOM 0 H GLN A 81 -10.771 3.000 7.163 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.375 3.317 9.878 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.852 1.884 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.540 2.151 9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.811 4.704 8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.961 4.144 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.956 4.726 6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.471 4.660 7.128 1.00 0.00 H new ATOM 325 N SER A 82 -10.645 0.202 9.077 1.00 0.00 N ATOM 326 CA SER A 82 -10.174 -1.068 9.634 1.00 0.00 C ATOM 327 C SER A 82 -8.878 -0.935 10.456 1.00 0.00 C ATOM 328 O SER A 82 -8.452 -1.910 11.089 1.00 0.00 O ATOM 329 CB SER A 82 -10.018 -2.072 8.496 1.00 0.00 C ATOM 330 OG SER A 82 -9.766 -3.384 8.962 1.00 0.00 O ATOM 0 H SER A 82 -10.558 0.256 8.062 1.00 0.00 H new ATOM 0 HA SER A 82 -10.920 -1.422 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.924 -2.073 7.890 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.201 -1.757 7.847 1.00 0.00 H new ATOM 0 HG SER A 82 -8.998 -3.760 8.483 1.00 0.00 H new ATOM 336 N ASN A 83 -8.260 0.251 10.444 1.00 0.00 N ATOM 337 CA ASN A 83 -6.976 0.599 11.043 1.00 0.00 C ATOM 338 C ASN A 83 -5.812 -0.119 10.346 1.00 0.00 C ATOM 339 O ASN A 83 -4.966 -0.728 10.995 1.00 0.00 O ATOM 340 CB ASN A 83 -7.017 0.401 12.568 1.00 0.00 C ATOM 341 CG ASN A 83 -5.786 0.988 13.244 1.00 0.00 C ATOM 342 OD1 ASN A 83 -4.911 0.267 13.713 1.00 0.00 O ATOM 343 ND2 ASN A 83 -5.675 2.303 13.289 1.00 0.00 N ATOM 0 H ASN A 83 -8.682 1.053 9.977 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.787 1.660 10.882 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.913 0.871 12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.085 -0.663 12.795 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.854 2.731 13.717 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.410 2.891 12.895 1.00 0.00 H new ATOM 350 N ILE A 84 -5.788 -0.076 9.015 1.00 0.00 N ATOM 351 CA ILE A 84 -4.792 -0.709 8.147 1.00 0.00 C ATOM 352 C ILE A 84 -4.111 0.329 7.256 1.00 0.00 C ATOM 353 O ILE A 84 -4.477 0.492 6.099 1.00 0.00 O ATOM 354 CB ILE A 84 -5.478 -1.827 7.340 1.00 0.00 C ATOM 355 CG1 ILE A 84 -6.023 -2.813 8.380 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.537 -2.513 6.333 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.215 -4.224 7.855 1.00 0.00 C ATOM 0 H ILE A 84 -6.499 0.427 8.484 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.000 -1.158 8.747 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.273 -1.416 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.341 -2.843 9.229 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.978 -2.442 8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.082 -3.290 5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.165 -1.775 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.697 -2.960 6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.603 -4.859 8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.922 -4.210 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.259 -4.617 7.511 1.00 0.00 H new ATOM 369 N ARG A 85 -3.073 0.989 7.763 1.00 0.00 N ATOM 370 CA ARG A 85 -2.492 2.123 7.040 1.00 0.00 C ATOM 371 C ARG A 85 -1.992 1.727 5.637 1.00 0.00 C ATOM 372 O ARG A 85 -1.215 0.771 5.497 1.00 0.00 O ATOM 373 CB ARG A 85 -1.399 2.822 7.870 1.00 0.00 C ATOM 374 CG ARG A 85 -1.866 4.154 8.472 1.00 0.00 C ATOM 375 CD ARG A 85 -1.982 5.281 7.427 1.00 0.00 C ATOM 376 NE ARG A 85 -0.683 5.755 6.891 1.00 0.00 N ATOM 377 CZ ARG A 85 0.179 6.563 7.516 1.00 0.00 C ATOM 378 NH1 ARG A 85 -0.020 6.899 8.778 1.00 0.00 N ATOM 379 NH2 ARG A 85 1.228 7.068 6.896 1.00 0.00 N ATOM 0 H ARG A 85 -2.623 0.767 8.651 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.292 2.847 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.080 2.158 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.528 3.000 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.834 4.010 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.167 4.459 9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.597 4.930 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.505 6.125 7.877 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.423 5.434 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.834 6.542 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.640 7.516 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.397 6.844 5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.870 7.682 7.397 1.00 0.00 H new ATOM 393 N ILE A 86 -2.402 2.432 4.585 1.00 0.00 N ATOM 394 CA ILE A 86 -1.790 2.329 3.257 1.00 0.00 C ATOM 395 C ILE A 86 -0.576 3.276 3.139 1.00 0.00 C ATOM 396 O ILE A 86 -0.746 4.486 3.253 1.00 0.00 O ATOM 397 CB ILE A 86 -2.842 2.495 2.145 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.984 1.452 2.225 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.158 2.393 0.774 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.565 -0.033 2.248 1.00 0.00 C ATOM 0 H ILE A 86 -3.174 3.097 4.628 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.391 1.324 3.121 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.295 3.477 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.568 1.655 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.646 1.606 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.902 2.510 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.407 3.177 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.679 1.419 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.454 -0.661 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.012 -0.269 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.933 -0.219 3.116 1.00 0.00 H new ATOM 412 N PRO A 87 0.658 2.753 2.957 1.00 0.00 N ATOM 413 CA PRO A 87 1.789 3.588 2.601 1.00 0.00 C ATOM 414 C PRO A 87 1.642 4.023 1.140 1.00 0.00 C ATOM 415 O PRO A 87 1.209 3.237 0.293 1.00 0.00 O ATOM 416 CB PRO A 87 3.042 2.740 2.837 1.00 0.00 C ATOM 417 CG PRO A 87 2.568 1.283 2.796 1.00 0.00 C ATOM 418 CD PRO A 87 1.048 1.351 2.947 1.00 0.00 C ATOM 0 HA PRO A 87 1.851 4.498 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.793 2.929 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.500 2.976 3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.849 0.804 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.018 0.700 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.560 0.826 2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.735 0.862 3.869 1.00 0.00 H new ATOM 426 N SER A 88 1.980 5.275 0.852 1.00 0.00 N ATOM 427 CA SER A 88 1.865 5.899 -0.460 1.00 0.00 C ATOM 428 C SER A 88 2.526 5.084 -1.584 1.00 0.00 C ATOM 429 O SER A 88 2.033 5.088 -2.710 1.00 0.00 O ATOM 430 CB SER A 88 2.371 7.343 -0.385 1.00 0.00 C ATOM 431 OG SER A 88 3.679 7.401 0.146 1.00 0.00 O ATOM 0 H SER A 88 2.357 5.909 1.556 1.00 0.00 H new ATOM 0 HA SER A 88 0.810 5.919 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.360 7.787 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.698 7.935 0.235 1.00 0.00 H new ATOM 0 HG SER A 88 3.651 7.206 1.106 1.00 0.00 H new ATOM 437 N ASP A 89 3.561 4.303 -1.282 1.00 0.00 N ATOM 438 CA ASP A 89 4.181 3.353 -2.204 1.00 0.00 C ATOM 439 C ASP A 89 3.183 2.363 -2.856 1.00 0.00 C ATOM 440 O ASP A 89 3.341 1.961 -4.003 1.00 0.00 O ATOM 441 CB ASP A 89 5.248 2.587 -1.420 1.00 0.00 C ATOM 442 CG ASP A 89 6.169 3.477 -0.620 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.748 3.854 0.487 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.297 3.750 -1.084 1.00 0.00 O ATOM 0 H ASP A 89 4.004 4.314 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 89 4.607 3.916 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.757 1.886 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.843 1.995 -2.116 1.00 0.00 H new ATOM 449 N ILE A 90 2.149 1.925 -2.131 1.00 0.00 N ATOM 450 CA ILE A 90 1.043 1.169 -2.741 1.00 0.00 C ATOM 451 C ILE A 90 0.286 2.048 -3.743 1.00 0.00 C ATOM 452 O ILE A 90 -0.121 1.598 -4.807 1.00 0.00 O ATOM 453 CB ILE A 90 0.072 0.689 -1.644 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.681 -0.380 -0.721 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.272 0.198 -2.208 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.849 -1.749 -1.387 1.00 0.00 C ATOM 0 H ILE A 90 2.052 2.078 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 90 1.457 0.308 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.120 1.576 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.654 -0.034 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.048 -0.490 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.913 -0.127 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.758 1.010 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.099 -0.637 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.284 -2.450 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.124 -2.118 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.507 -1.655 -2.251 1.00 0.00 H new ATOM 468 N ILE A 91 0.035 3.300 -3.370 1.00 0.00 N ATOM 469 CA ILE A 91 -0.809 4.221 -4.125 1.00 0.00 C ATOM 470 C ILE A 91 -0.139 4.616 -5.457 1.00 0.00 C ATOM 471 O ILE A 91 -0.798 4.595 -6.496 1.00 0.00 O ATOM 472 CB ILE A 91 -1.207 5.404 -3.216 1.00 0.00 C ATOM 473 CG1 ILE A 91 -1.826 4.851 -1.910 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.193 6.327 -3.941 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.277 5.907 -0.897 1.00 0.00 C ATOM 0 H ILE A 91 0.420 3.710 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.740 3.739 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.322 5.991 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.684 4.231 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.096 4.200 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.464 7.156 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.728 6.716 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.089 5.766 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.695 5.414 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.422 6.514 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.035 6.546 -1.350 1.00 0.00 H new ATOM 487 N GLU A 92 1.171 4.901 -5.422 1.00 0.00 N ATOM 488 CA GLU A 92 2.075 5.002 -6.575 1.00 0.00 C ATOM 489 C GLU A 92 1.758 3.948 -7.655 1.00 0.00 C ATOM 490 O GLU A 92 1.440 4.271 -8.805 1.00 0.00 O ATOM 491 CB GLU A 92 3.509 4.847 -6.027 1.00 0.00 C ATOM 492 CG GLU A 92 4.628 4.736 -7.083 1.00 0.00 C ATOM 493 CD GLU A 92 5.982 4.432 -6.454 1.00 0.00 C ATOM 494 OE1 GLU A 92 6.447 5.254 -5.641 1.00 0.00 O ATOM 495 OE2 GLU A 92 6.555 3.354 -6.721 1.00 0.00 O ATOM 0 H GLU A 92 1.653 5.077 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 92 1.953 5.965 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.726 5.701 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.542 3.958 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.376 3.951 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.690 5.669 -7.644 1.00 0.00 H new ATOM 502 N ASP A 93 1.809 2.678 -7.258 1.00 0.00 N ATOM 503 CA ASP A 93 1.561 1.539 -8.118 1.00 0.00 C ATOM 504 C ASP A 93 0.071 1.497 -8.520 1.00 0.00 C ATOM 505 O ASP A 93 -0.314 1.739 -9.665 1.00 0.00 O ATOM 506 CB ASP A 93 2.060 0.315 -7.331 1.00 0.00 C ATOM 507 CG ASP A 93 1.987 -0.976 -8.109 1.00 0.00 C ATOM 508 OD1 ASP A 93 2.060 -0.929 -9.351 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.837 -2.027 -7.454 1.00 0.00 O ATOM 0 H ASP A 93 2.031 2.413 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 93 2.090 1.580 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.092 0.487 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.470 0.214 -6.420 1.00 0.00 H new ATOM 514 N LEU A 94 -0.793 1.270 -7.532 1.00 0.00 N ATOM 515 CA LEU A 94 -2.227 1.025 -7.711 1.00 0.00 C ATOM 516 C LEU A 94 -2.915 2.044 -8.639 1.00 0.00 C ATOM 517 O LEU A 94 -3.566 1.663 -9.617 1.00 0.00 O ATOM 518 CB LEU A 94 -2.895 0.948 -6.324 1.00 0.00 C ATOM 519 CG LEU A 94 -4.165 0.086 -6.232 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.242 0.432 -7.247 1.00 0.00 C ATOM 521 CD2 LEU A 94 -3.845 -1.396 -6.359 1.00 0.00 C ATOM 0 H LEU A 94 -0.507 1.250 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.347 0.071 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.165 0.561 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.144 1.961 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.564 0.312 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.099 -0.227 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.553 1.467 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.847 0.304 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.766 -1.974 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.370 -1.584 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.169 -1.692 -5.557 1.00 0.00 H new ATOM 533 N VAL A 95 -2.770 3.346 -8.362 1.00 0.00 N ATOM 534 CA VAL A 95 -3.329 4.396 -9.214 1.00 0.00 C ATOM 535 C VAL A 95 -2.925 4.235 -10.690 1.00 0.00 C ATOM 536 O VAL A 95 -3.793 4.279 -11.563 1.00 0.00 O ATOM 537 CB VAL A 95 -2.960 5.785 -8.660 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.388 6.917 -9.606 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.646 6.016 -7.306 1.00 0.00 C ATOM 0 H VAL A 95 -2.266 3.696 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.414 4.298 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.875 5.801 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.107 7.878 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.892 6.793 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.468 6.884 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.377 7.001 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.727 5.958 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.321 5.253 -6.599 1.00 0.00 H new ATOM 549 N ASN A 96 -1.634 4.051 -10.988 1.00 0.00 N ATOM 550 CA ASN A 96 -1.175 3.925 -12.375 1.00 0.00 C ATOM 551 C ASN A 96 -1.608 2.595 -13.026 1.00 0.00 C ATOM 552 O ASN A 96 -2.071 2.586 -14.166 1.00 0.00 O ATOM 553 CB ASN A 96 0.328 4.236 -12.497 1.00 0.00 C ATOM 554 CG ASN A 96 1.235 3.017 -12.396 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.386 2.272 -13.352 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.877 2.810 -11.266 1.00 0.00 N ATOM 0 H ASN A 96 -0.892 3.986 -10.291 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.683 4.687 -12.965 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.508 4.729 -13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.604 4.944 -11.716 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.513 2.017 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.739 3.442 -10.478 1.00 0.00 H new ATOM 563 N GLN A 97 -1.529 1.488 -12.281 1.00 0.00 N ATOM 564 CA GLN A 97 -2.011 0.171 -12.714 1.00 0.00 C ATOM 565 C GLN A 97 -3.491 0.192 -13.137 1.00 0.00 C ATOM 566 O GLN A 97 -3.899 -0.512 -14.059 1.00 0.00 O ATOM 567 CB GLN A 97 -1.811 -0.840 -11.576 1.00 0.00 C ATOM 568 CG GLN A 97 -0.337 -1.041 -11.193 1.00 0.00 C ATOM 569 CD GLN A 97 0.467 -1.933 -12.125 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.022 -2.468 -13.114 1.00 0.00 O ATOM 571 NE2 GLN A 97 1.735 -2.110 -11.812 1.00 0.00 N ATOM 0 H GLN A 97 -1.122 1.481 -11.346 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.432 -0.120 -13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.364 -0.504 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.236 -1.799 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.145 -0.064 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.295 -1.463 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.124 -1.657 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.327 -2.700 -12.396 1.00 0.00 H new ATOM 580 N ARG A 98 -4.311 0.986 -12.441 1.00 0.00 N ATOM 581 CA ARG A 98 -5.708 1.228 -12.783 1.00 0.00 C ATOM 582 C ARG A 98 -6.547 -0.060 -12.912 1.00 0.00 C ATOM 583 O ARG A 98 -7.111 -0.407 -13.952 1.00 0.00 O ATOM 584 CB ARG A 98 -5.775 2.193 -13.975 1.00 0.00 C ATOM 585 CG ARG A 98 -7.179 2.464 -14.536 1.00 0.00 C ATOM 586 CD ARG A 98 -8.310 2.578 -13.502 1.00 0.00 C ATOM 587 NE ARG A 98 -8.189 3.798 -12.688 1.00 0.00 N ATOM 588 CZ ARG A 98 -8.474 3.964 -11.396 1.00 0.00 C ATOM 589 NH1 ARG A 98 -8.633 2.961 -10.551 1.00 0.00 N ATOM 590 NH2 ARG A 98 -8.643 5.186 -10.952 1.00 0.00 N ATOM 0 H ARG A 98 -4.010 1.488 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.202 1.725 -11.948 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.335 3.144 -13.674 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.154 1.794 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.146 3.389 -15.111 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.430 1.664 -15.233 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.272 2.578 -14.015 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.296 1.704 -12.851 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.842 4.624 -13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.538 1.999 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.850 3.148 -9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.556 5.977 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.862 5.346 -9.969 1.00 0.00 H new ATOM 604 N LEU A 99 -6.757 -0.705 -11.768 1.00 0.00 N ATOM 605 CA LEU A 99 -7.850 -1.653 -11.578 1.00 0.00 C ATOM 606 C LEU A 99 -9.176 -0.907 -11.324 1.00 0.00 C ATOM 607 O LEU A 99 -9.153 0.303 -11.086 1.00 0.00 O ATOM 608 CB LEU A 99 -7.475 -2.609 -10.452 1.00 0.00 C ATOM 609 CG LEU A 99 -6.104 -3.270 -10.674 1.00 0.00 C ATOM 610 CD1 LEU A 99 -5.752 -4.129 -9.465 1.00 0.00 C ATOM 611 CD2 LEU A 99 -6.080 -4.140 -11.936 1.00 0.00 C ATOM 0 H LEU A 99 -6.170 -0.584 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.008 -2.243 -12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.464 -2.066 -9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.238 -3.382 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.372 -2.473 -10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.780 -4.598 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.713 -3.504 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.510 -4.901 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.092 -4.586 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.827 -4.929 -11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.304 -3.524 -12.807 1.00 0.00 H new ATOM 623 N GLN A 100 -10.324 -1.578 -11.462 1.00 0.00 N ATOM 624 CA GLN A 100 -11.631 -0.916 -11.576 1.00 0.00 C ATOM 625 C GLN A 100 -12.661 -1.357 -10.527 1.00 0.00 C ATOM 626 O GLN A 100 -13.449 -0.532 -10.073 1.00 0.00 O ATOM 627 CB GLN A 100 -12.173 -1.134 -12.989 1.00 0.00 C ATOM 628 CG GLN A 100 -13.448 -0.319 -13.266 1.00 0.00 C ATOM 629 CD GLN A 100 -13.947 -0.491 -14.694 1.00 0.00 C ATOM 630 OE1 GLN A 100 -13.635 -1.466 -15.367 1.00 0.00 O ATOM 631 NE2 GLN A 100 -14.709 0.460 -15.200 1.00 0.00 N ATOM 0 H GLN A 100 -10.375 -2.596 -11.498 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.467 0.144 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.407 -0.860 -13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.385 -2.193 -13.133 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.230 -0.625 -12.571 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.250 0.736 -13.078 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.963 1.267 -14.631 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.044 0.388 -16.161 1.00 0.00 H new ATOM 640 N SER A 101 -12.720 -2.641 -10.175 1.00 0.00 N ATOM 641 CA SER A 101 -13.576 -3.074 -9.070 1.00 0.00 C ATOM 642 C SER A 101 -12.856 -2.971 -7.726 1.00 0.00 C ATOM 643 O SER A 101 -11.667 -3.262 -7.602 1.00 0.00 O ATOM 644 CB SER A 101 -14.087 -4.500 -9.281 1.00 0.00 C ATOM 645 OG SER A 101 -14.836 -4.911 -8.140 1.00 0.00 O ATOM 0 H SER A 101 -12.195 -3.388 -10.629 1.00 0.00 H new ATOM 0 HA SER A 101 -14.432 -2.399 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.710 -4.546 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.249 -5.178 -9.442 1.00 0.00 H new ATOM 0 HG SER A 101 -15.165 -5.824 -8.276 1.00 0.00 H new ATOM 651 N GLU A 102 -13.625 -2.670 -6.688 1.00 0.00 N ATOM 652 CA GLU A 102 -13.237 -2.787 -5.294 1.00 0.00 C ATOM 653 C GLU A 102 -12.617 -4.168 -4.996 1.00 0.00 C ATOM 654 O GLU A 102 -11.651 -4.291 -4.251 1.00 0.00 O ATOM 655 CB GLU A 102 -14.457 -2.486 -4.413 1.00 0.00 C ATOM 656 CG GLU A 102 -15.172 -1.185 -4.843 1.00 0.00 C ATOM 657 CD GLU A 102 -16.263 -1.372 -5.883 1.00 0.00 C ATOM 658 OE1 GLU A 102 -16.323 -2.469 -6.491 1.00 0.00 O ATOM 659 OE2 GLU A 102 -17.209 -0.561 -5.918 1.00 0.00 O ATOM 0 H GLU A 102 -14.577 -2.323 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.459 -2.058 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.157 -3.320 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.142 -2.400 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.608 -0.717 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.429 -0.492 -5.237 1.00 0.00 H new ATOM 666 N GLN A 103 -13.128 -5.223 -5.637 1.00 0.00 N ATOM 667 CA GLN A 103 -12.517 -6.547 -5.552 1.00 0.00 C ATOM 668 C GLN A 103 -11.095 -6.569 -6.132 1.00 0.00 C ATOM 669 O GLN A 103 -10.167 -7.084 -5.517 1.00 0.00 O ATOM 670 CB GLN A 103 -13.405 -7.592 -6.240 1.00 0.00 C ATOM 671 CG GLN A 103 -14.732 -7.807 -5.499 1.00 0.00 C ATOM 672 CD GLN A 103 -14.553 -8.264 -4.055 1.00 0.00 C ATOM 673 OE1 GLN A 103 -15.082 -7.669 -3.127 1.00 0.00 O ATOM 674 NE2 GLN A 103 -13.807 -9.330 -3.828 1.00 0.00 N ATOM 0 H GLN A 103 -13.964 -5.183 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.432 -6.799 -4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.610 -7.275 -7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.868 -8.539 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.300 -6.877 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.323 -8.548 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.369 -9.821 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.669 -9.662 -2.873 1.00 0.00 H new ATOM 683 N GLU A 104 -10.904 -6.000 -7.317 1.00 0.00 N ATOM 684 CA GLU A 104 -9.587 -5.973 -7.937 1.00 0.00 C ATOM 685 C GLU A 104 -8.593 -5.156 -7.111 1.00 0.00 C ATOM 686 O GLU A 104 -7.494 -5.632 -6.826 1.00 0.00 O ATOM 687 CB GLU A 104 -9.684 -5.383 -9.337 1.00 0.00 C ATOM 688 CG GLU A 104 -10.523 -6.222 -10.300 1.00 0.00 C ATOM 689 CD GLU A 104 -10.692 -5.497 -11.630 1.00 0.00 C ATOM 690 OE1 GLU A 104 -11.020 -4.289 -11.614 1.00 0.00 O ATOM 691 OE2 GLU A 104 -10.426 -6.115 -12.679 1.00 0.00 O ATOM 0 H GLU A 104 -11.640 -5.554 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.225 -7.000 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.113 -4.383 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.680 -5.273 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.044 -7.187 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.500 -6.422 -9.861 1.00 0.00 H new ATOM 698 N VAL A 105 -8.978 -3.938 -6.706 1.00 0.00 N ATOM 699 CA VAL A 105 -8.075 -3.122 -5.910 1.00 0.00 C ATOM 700 C VAL A 105 -7.790 -3.840 -4.590 1.00 0.00 C ATOM 701 O VAL A 105 -6.636 -3.927 -4.209 1.00 0.00 O ATOM 702 CB VAL A 105 -8.533 -1.660 -5.734 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.944 -0.991 -7.050 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.672 -1.548 -4.735 1.00 0.00 C ATOM 0 H VAL A 105 -9.882 -3.513 -6.912 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.140 -3.016 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.660 -1.130 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.255 0.035 -6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.098 -0.989 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.772 -1.543 -7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.968 -0.504 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.521 -2.135 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.345 -1.925 -3.766 1.00 0.00 H new ATOM 714 N LEU A 106 -8.785 -4.436 -3.918 1.00 0.00 N ATOM 715 CA LEU A 106 -8.470 -5.150 -2.679 1.00 0.00 C ATOM 716 C LEU A 106 -7.547 -6.356 -2.911 1.00 0.00 C ATOM 717 O LEU A 106 -6.588 -6.537 -2.162 1.00 0.00 O ATOM 718 CB LEU A 106 -9.707 -5.410 -1.800 1.00 0.00 C ATOM 719 CG LEU A 106 -10.575 -6.619 -2.156 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.941 -7.962 -1.767 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.949 -6.468 -1.491 1.00 0.00 C ATOM 0 H LEU A 106 -9.767 -4.440 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.869 -4.479 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.371 -5.527 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.337 -4.521 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.675 -6.635 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.610 -8.775 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.990 -8.079 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.773 -7.987 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.571 -7.327 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.826 -6.413 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.428 -5.557 -1.849 1.00 0.00 H new ATOM 733 N ASN A 107 -7.760 -7.149 -3.972 1.00 0.00 N ATOM 734 CA ASN A 107 -6.869 -8.281 -4.256 1.00 0.00 C ATOM 735 C ASN A 107 -5.430 -7.800 -4.490 1.00 0.00 C ATOM 736 O ASN A 107 -4.482 -8.241 -3.834 1.00 0.00 O ATOM 737 CB ASN A 107 -7.331 -9.038 -5.518 1.00 0.00 C ATOM 738 CG ASN A 107 -8.710 -9.680 -5.451 1.00 0.00 C ATOM 739 OD1 ASN A 107 -9.146 -10.188 -4.427 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.412 -9.709 -6.575 1.00 0.00 N ATOM 0 H ASN A 107 -8.526 -7.031 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.904 -8.942 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.317 -8.344 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.601 -9.817 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.327 -10.159 -6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.037 -9.282 -7.422 1.00 0.00 H new ATOM 747 N TYR A 108 -5.263 -6.897 -5.454 1.00 0.00 N ATOM 748 CA TYR A 108 -3.959 -6.387 -5.838 1.00 0.00 C ATOM 749 C TYR A 108 -3.292 -5.631 -4.684 1.00 0.00 C ATOM 750 O TYR A 108 -2.145 -5.911 -4.356 1.00 0.00 O ATOM 751 CB TYR A 108 -4.112 -5.528 -7.087 1.00 0.00 C ATOM 752 CG TYR A 108 -2.802 -5.053 -7.684 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.132 -3.963 -7.109 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.274 -5.659 -8.839 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.027 -3.389 -7.754 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.085 -5.166 -9.400 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.455 -4.037 -8.852 1.00 0.00 C ATOM 758 OH TYR A 108 0.779 -3.704 -9.303 1.00 0.00 O ATOM 0 H TYR A 108 -6.035 -6.500 -5.990 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.295 -7.219 -6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.655 -6.098 -7.841 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.723 -4.659 -6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.469 -3.563 -6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.781 -6.499 -9.291 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.620 -2.452 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.652 -5.658 -10.258 1.00 0.00 H new ATOM 0 HH TYR A 108 1.304 -3.323 -8.569 1.00 0.00 H new ATOM 768 N ILE A 109 -3.999 -4.703 -4.033 1.00 0.00 N ATOM 769 CA ILE A 109 -3.488 -4.020 -2.844 1.00 0.00 C ATOM 770 C ILE A 109 -2.984 -5.046 -1.829 1.00 0.00 C ATOM 771 O ILE A 109 -1.836 -4.977 -1.420 1.00 0.00 O ATOM 772 CB ILE A 109 -4.529 -3.102 -2.175 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.807 -1.872 -3.045 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.023 -2.629 -0.803 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.055 -1.129 -2.572 1.00 0.00 C ATOM 0 H ILE A 109 -4.934 -4.407 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.670 -3.382 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.447 -3.676 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.948 -1.201 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.935 -2.179 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.770 -1.981 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.848 -3.493 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.092 -2.076 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.225 -0.261 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.917 -1.794 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.915 -0.801 -1.542 1.00 0.00 H new ATOM 787 N GLU A 110 -3.802 -6.005 -1.400 1.00 0.00 N ATOM 788 CA GLU A 110 -3.381 -6.976 -0.390 1.00 0.00 C ATOM 789 C GLU A 110 -2.206 -7.871 -0.848 1.00 0.00 C ATOM 790 O GLU A 110 -1.327 -8.215 -0.043 1.00 0.00 O ATOM 791 CB GLU A 110 -4.620 -7.673 0.190 1.00 0.00 C ATOM 792 CG GLU A 110 -5.256 -6.646 1.161 1.00 0.00 C ATOM 793 CD GLU A 110 -6.621 -7.010 1.695 1.00 0.00 C ATOM 794 OE1 GLU A 110 -6.715 -7.966 2.491 1.00 0.00 O ATOM 795 OE2 GLU A 110 -7.592 -6.294 1.366 1.00 0.00 O ATOM 0 H GLU A 110 -4.757 -6.131 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.917 -6.465 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.319 -7.952 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.346 -8.590 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.581 -6.505 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.330 -5.687 0.649 1.00 0.00 H new ATOM 802 N THR A 111 -2.109 -8.157 -2.149 1.00 0.00 N ATOM 803 CA THR A 111 -0.899 -8.725 -2.760 1.00 0.00 C ATOM 804 C THR A 111 0.323 -7.802 -2.594 1.00 0.00 C ATOM 805 O THR A 111 1.317 -8.190 -1.978 1.00 0.00 O ATOM 806 CB THR A 111 -1.148 -9.083 -4.235 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.264 -9.943 -4.321 1.00 0.00 O ATOM 808 CG2 THR A 111 0.041 -9.828 -4.842 1.00 0.00 C ATOM 0 H THR A 111 -2.868 -8.002 -2.812 1.00 0.00 H new ATOM 0 HA THR A 111 -0.664 -9.646 -2.227 1.00 0.00 H new ATOM 0 HB THR A 111 -1.309 -8.150 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.085 -9.428 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.171 -10.064 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.931 -9.201 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.213 -10.751 -4.289 1.00 0.00 H new ATOM 816 N GLN A 112 0.264 -6.558 -3.069 1.00 0.00 N ATOM 817 CA GLN A 112 1.374 -5.611 -2.984 1.00 0.00 C ATOM 818 C GLN A 112 1.732 -5.234 -1.534 1.00 0.00 C ATOM 819 O GLN A 112 2.887 -5.024 -1.195 1.00 0.00 O ATOM 820 CB GLN A 112 1.054 -4.380 -3.838 1.00 0.00 C ATOM 821 CG GLN A 112 0.917 -4.694 -5.334 1.00 0.00 C ATOM 822 CD GLN A 112 2.208 -5.212 -5.942 1.00 0.00 C ATOM 823 OE1 GLN A 112 2.535 -6.386 -5.827 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.978 -4.343 -6.558 1.00 0.00 N ATOM 0 H GLN A 112 -0.563 -6.177 -3.528 1.00 0.00 H new ATOM 0 HA GLN A 112 2.266 -6.096 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.126 -3.931 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.840 -3.638 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.130 -5.435 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.606 -3.794 -5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.684 -3.370 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.870 -4.642 -6.953 1.00 0.00 H new ATOM 833 N ARG A 113 0.757 -5.213 -0.630 1.00 0.00 N ATOM 834 CA ARG A 113 0.979 -5.108 0.805 1.00 0.00 C ATOM 835 C ARG A 113 1.712 -6.343 1.340 1.00 0.00 C ATOM 836 O ARG A 113 2.474 -6.284 2.301 1.00 0.00 O ATOM 837 CB ARG A 113 -0.353 -4.899 1.535 1.00 0.00 C ATOM 838 CG ARG A 113 -0.902 -3.504 1.285 1.00 0.00 C ATOM 839 CD ARG A 113 -2.151 -3.309 2.150 1.00 0.00 C ATOM 840 NE ARG A 113 -1.828 -3.153 3.587 1.00 0.00 N ATOM 841 CZ ARG A 113 -1.379 -2.050 4.181 1.00 0.00 C ATOM 842 NH1 ARG A 113 -0.889 -1.058 3.488 1.00 0.00 N ATOM 843 NH2 ARG A 113 -1.432 -1.901 5.487 1.00 0.00 N ATOM 0 H ARG A 113 -0.230 -5.270 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 113 1.613 -4.242 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.076 -5.643 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.212 -5.051 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.151 -2.752 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.148 -3.378 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.694 -2.429 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.815 -4.164 2.021 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.963 -3.972 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.845 -1.119 2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.550 -0.222 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.824 -2.641 6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.081 -1.045 5.917 1.00 0.00 H new ATOM 857 N THR A 114 1.476 -7.501 0.740 1.00 0.00 N ATOM 858 CA THR A 114 2.289 -8.697 0.979 1.00 0.00 C ATOM 859 C THR A 114 3.719 -8.603 0.423 1.00 0.00 C ATOM 860 O THR A 114 4.651 -8.947 1.153 1.00 0.00 O ATOM 861 CB THR A 114 1.500 -9.974 0.682 1.00 0.00 C ATOM 862 OG1 THR A 114 0.393 -9.946 1.572 1.00 0.00 O ATOM 863 CG2 THR A 114 2.307 -11.239 0.968 1.00 0.00 C ATOM 0 H THR A 114 0.717 -7.644 0.073 1.00 0.00 H new ATOM 0 HA THR A 114 2.497 -8.760 2.047 1.00 0.00 H new ATOM 0 HB THR A 114 1.223 -10.001 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.319 -9.390 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.701 -12.116 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.204 -11.247 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.593 -11.258 2.020 1.00 0.00 H new ATOM 871 N TYR A 115 3.925 -8.013 -0.761 1.00 0.00 N ATOM 872 CA TYR A 115 5.246 -7.482 -1.143 1.00 0.00 C ATOM 873 C TYR A 115 5.826 -6.621 -0.015 1.00 0.00 C ATOM 874 O TYR A 115 6.816 -7.005 0.602 1.00 0.00 O ATOM 875 CB TYR A 115 5.188 -6.757 -2.513 1.00 0.00 C ATOM 876 CG TYR A 115 5.829 -5.371 -2.657 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.184 -5.147 -2.330 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.080 -4.305 -3.199 1.00 0.00 C ATOM 879 CE1 TYR A 115 7.738 -3.855 -2.442 1.00 0.00 C ATOM 880 CE2 TYR A 115 5.640 -3.020 -3.323 1.00 0.00 C ATOM 881 CZ TYR A 115 6.970 -2.792 -2.946 1.00 0.00 C ATOM 882 OH TYR A 115 7.529 -1.566 -3.120 1.00 0.00 O ATOM 0 H TYR A 115 3.201 -7.890 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 115 5.937 -8.314 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.654 -7.411 -3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.138 -6.662 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.799 -5.968 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.064 -4.477 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.760 -3.681 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.043 -2.207 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 115 7.425 -1.040 -2.300 1.00 0.00 H new ATOM 892 N TRP A 116 5.190 -5.501 0.316 1.00 0.00 N ATOM 893 CA TRP A 116 5.673 -4.581 1.337 1.00 0.00 C ATOM 894 C TRP A 116 5.983 -5.254 2.681 1.00 0.00 C ATOM 895 O TRP A 116 7.007 -4.991 3.309 1.00 0.00 O ATOM 896 CB TRP A 116 4.710 -3.396 1.476 1.00 0.00 C ATOM 897 CG TRP A 116 5.137 -2.212 0.673 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.425 -1.548 -0.266 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.437 -1.564 0.722 1.00 0.00 C ATOM 900 NE1 TRP A 116 5.207 -0.546 -0.803 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.454 -0.498 -0.217 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.611 -1.790 1.468 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.579 0.320 -0.384 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.746 -0.992 1.290 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.719 0.087 0.396 1.00 0.00 C ATOM 0 H TRP A 116 4.317 -5.205 -0.122 1.00 0.00 H new ATOM 0 HA TRP A 116 6.638 -4.203 0.999 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.713 -3.704 1.161 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.639 -3.112 2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.406 -1.767 -0.550 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.899 0.083 -1.544 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.635 -2.593 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.567 1.122 -1.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.647 -1.208 1.844 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.576 0.738 0.309 1.00 0.00 H new ATOM 916 N LYS A 117 5.125 -6.167 3.122 1.00 0.00 N ATOM 917 CA LYS A 117 5.354 -6.967 4.317 1.00 0.00 C ATOM 918 C LYS A 117 6.661 -7.786 4.236 1.00 0.00 C ATOM 919 O LYS A 117 7.468 -7.726 5.163 1.00 0.00 O ATOM 920 CB LYS A 117 4.100 -7.835 4.542 1.00 0.00 C ATOM 921 CG LYS A 117 4.177 -8.853 5.686 1.00 0.00 C ATOM 922 CD LYS A 117 2.808 -9.454 6.066 1.00 0.00 C ATOM 923 CE LYS A 117 2.047 -10.164 4.930 1.00 0.00 C ATOM 924 NZ LYS A 117 1.201 -9.239 4.139 1.00 0.00 N ATOM 0 H LYS A 117 4.242 -6.374 2.654 1.00 0.00 H new ATOM 0 HA LYS A 117 5.502 -6.320 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.254 -7.173 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.886 -8.373 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.852 -9.659 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.610 -8.371 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.958 -10.166 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.177 -8.655 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.763 -10.650 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.421 -10.949 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.753 -9.760 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.465 -8.832 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.791 -8.475 3.751 1.00 0.00 H new ATOM 938 N LEU A 118 6.896 -8.528 3.148 1.00 0.00 N ATOM 939 CA LEU A 118 8.119 -9.332 3.006 1.00 0.00 C ATOM 940 C LEU A 118 9.364 -8.463 2.746 1.00 0.00 C ATOM 941 O LEU A 118 10.423 -8.670 3.324 1.00 0.00 O ATOM 942 CB LEU A 118 7.919 -10.399 1.923 1.00 0.00 C ATOM 943 CG LEU A 118 6.849 -11.438 2.300 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.574 -12.326 1.083 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.270 -12.323 3.479 1.00 0.00 C ATOM 0 H LEU A 118 6.259 -8.590 2.354 1.00 0.00 H new ATOM 0 HA LEU A 118 8.306 -9.837 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.635 -9.914 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.866 -10.908 1.742 1.00 0.00 H new ATOM 0 HG LEU A 118 5.956 -10.894 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.817 -13.067 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.217 -11.711 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.493 -12.833 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.476 -13.037 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.182 -12.862 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.452 -11.700 4.355 1.00 0.00 H new ATOM 957 N GLU A 119 9.237 -7.417 1.937 1.00 0.00 N ATOM 958 CA GLU A 119 10.229 -6.355 1.798 1.00 0.00 C ATOM 959 C GLU A 119 10.619 -5.758 3.171 1.00 0.00 C ATOM 960 O GLU A 119 11.791 -5.632 3.520 1.00 0.00 O ATOM 961 CB GLU A 119 9.627 -5.339 0.818 1.00 0.00 C ATOM 962 CG GLU A 119 10.376 -4.007 0.708 1.00 0.00 C ATOM 963 CD GLU A 119 11.831 -4.119 0.305 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.203 -5.097 -0.374 1.00 0.00 O ATOM 965 OE2 GLU A 119 12.570 -3.212 0.730 1.00 0.00 O ATOM 0 H GLU A 119 8.419 -7.280 1.343 1.00 0.00 H new ATOM 0 HA GLU A 119 11.174 -6.725 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.585 -5.795 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.599 -5.135 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.861 -3.378 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.320 -3.496 1.669 1.00 0.00 H new ATOM 972 N ASN A 120 9.639 -5.466 4.032 1.00 0.00 N ATOM 973 CA ASN A 120 9.858 -5.044 5.422 1.00 0.00 C ATOM 974 C ASN A 120 10.452 -6.144 6.320 1.00 0.00 C ATOM 975 O ASN A 120 10.736 -5.900 7.497 1.00 0.00 O ATOM 976 CB ASN A 120 8.557 -4.522 6.045 1.00 0.00 C ATOM 977 CG ASN A 120 8.020 -3.218 5.478 1.00 0.00 C ATOM 978 OD1 ASN A 120 7.011 -2.706 5.930 1.00 0.00 O ATOM 979 ND2 ASN A 120 8.663 -2.631 4.487 1.00 0.00 N ATOM 0 H ASN A 120 8.652 -5.517 3.779 1.00 0.00 H new ATOM 0 HA ASN A 120 10.597 -4.244 5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.790 -5.288 5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.718 -4.390 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.315 -1.753 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.508 -3.056 4.105 1.00 0.00 H new ATOM 986 N GLN A 121 10.614 -7.351 5.786 1.00 0.00 N ATOM 987 CA GLN A 121 11.287 -8.496 6.393 1.00 0.00 C ATOM 988 C GLN A 121 12.689 -8.729 5.778 1.00 0.00 C ATOM 989 O GLN A 121 13.465 -9.527 6.294 1.00 0.00 O ATOM 990 CB GLN A 121 10.353 -9.702 6.206 1.00 0.00 C ATOM 991 CG GLN A 121 10.508 -10.825 7.231 1.00 0.00 C ATOM 992 CD GLN A 121 9.294 -11.741 7.147 1.00 0.00 C ATOM 993 OE1 GLN A 121 8.339 -11.577 7.892 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.270 -12.661 6.197 1.00 0.00 N ATOM 0 H GLN A 121 10.255 -7.570 4.857 1.00 0.00 H new ATOM 0 HA GLN A 121 11.472 -8.325 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.322 -9.348 6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.520 -10.117 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.420 -11.389 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.598 -10.409 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.077 -12.783 5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 121 8.445 -13.248 6.077 1.00 0.00 H new ATOM 1003 N LYS A 122 13.045 -8.025 4.693 1.00 0.00 N ATOM 1004 CA LYS A 122 14.353 -8.134 4.053 1.00 0.00 C ATOM 1005 C LYS A 122 15.463 -7.584 4.974 1.00 0.00 C ATOM 1006 O LYS A 122 15.356 -6.470 5.483 1.00 0.00 O ATOM 1007 CB LYS A 122 14.283 -7.380 2.716 1.00 0.00 C ATOM 1008 CG LYS A 122 15.492 -7.631 1.806 1.00 0.00 C ATOM 1009 CD LYS A 122 15.397 -6.752 0.550 1.00 0.00 C ATOM 1010 CE LYS A 122 14.488 -7.298 -0.564 1.00 0.00 C ATOM 1011 NZ LYS A 122 14.226 -6.258 -1.589 1.00 0.00 N ATOM 0 H LYS A 122 12.423 -7.359 4.235 1.00 0.00 H new ATOM 0 HA LYS A 122 14.605 -9.178 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 122 13.375 -7.674 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 122 14.204 -6.311 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.414 -7.412 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.531 -8.683 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.035 -5.766 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 122 16.400 -6.616 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.957 -8.164 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.545 -7.638 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.818 -6.701 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.558 -5.557 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.118 -5.786 -1.840 1.00 0.00 H new ATOM 1025 N LYS A 123 16.528 -8.360 5.203 1.00 0.00 N ATOM 1026 CA LYS A 123 17.596 -7.998 6.140 1.00 0.00 C ATOM 1027 C LYS A 123 18.400 -6.737 5.757 1.00 0.00 C ATOM 1028 O LYS A 123 18.813 -6.595 4.607 1.00 0.00 O ATOM 1029 CB LYS A 123 18.522 -9.209 6.385 1.00 0.00 C ATOM 1030 CG LYS A 123 19.112 -9.974 5.177 1.00 0.00 C ATOM 1031 CD LYS A 123 20.160 -9.207 4.343 1.00 0.00 C ATOM 1032 CE LYS A 123 19.594 -8.746 2.987 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.235 -7.499 2.513 1.00 0.00 N ATOM 0 H LYS A 123 16.673 -9.258 4.743 1.00 0.00 H new ATOM 0 HA LYS A 123 17.096 -7.725 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.358 -8.863 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.967 -9.928 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.568 -10.894 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.293 -10.263 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.506 -8.340 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.028 -9.845 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 123 19.740 -9.533 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 123 18.519 -8.589 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.650 -7.069 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.329 -6.834 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.177 -7.717 2.130 1.00 0.00 H new ATOM 1047 N LEU A 124 18.712 -5.871 6.729 1.00 0.00 N ATOM 1048 CA LEU A 124 19.858 -4.961 6.636 1.00 0.00 C ATOM 1049 C LEU A 124 21.004 -5.486 7.517 1.00 0.00 C ATOM 1050 O LEU A 124 20.966 -5.382 8.741 1.00 0.00 O ATOM 1051 CB LEU A 124 19.487 -3.510 6.971 1.00 0.00 C ATOM 1052 CG LEU A 124 20.381 -2.514 6.199 1.00 0.00 C ATOM 1053 CD1 LEU A 124 20.192 -1.092 6.714 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.882 -2.801 6.271 1.00 0.00 C ATOM 0 H LEU A 124 18.181 -5.782 7.595 1.00 0.00 H new ATOM 0 HA LEU A 124 20.195 -4.941 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.441 -3.332 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 124 19.593 -3.343 8.043 1.00 0.00 H new ATOM 0 HG LEU A 124 20.056 -2.632 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 124 20.834 -0.413 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 124 19.151 -0.795 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 124 20.456 -1.050 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 124 22.424 -2.048 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 124 22.209 -2.772 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 124 22.084 -3.788 5.855 1.00 0.00 H new ATOM 1066 N TYR A 125 22.031 -6.067 6.898 1.00 0.00 N ATOM 1067 CA TYR A 125 23.142 -6.766 7.561 1.00 0.00 C ATOM 1068 C TYR A 125 24.105 -5.880 8.393 1.00 0.00 C ATOM 1069 O TYR A 125 25.240 -6.274 8.643 1.00 0.00 O ATOM 1070 CB TYR A 125 23.880 -7.580 6.479 1.00 0.00 C ATOM 1071 CG TYR A 125 24.225 -6.821 5.204 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.940 -5.608 5.262 1.00 0.00 C ATOM 1073 CD2 TYR A 125 23.799 -7.313 3.952 1.00 0.00 C ATOM 1074 CE1 TYR A 125 25.150 -4.860 4.095 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.041 -6.574 2.780 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.729 -5.353 2.855 1.00 0.00 C ATOM 1077 OH TYR A 125 24.974 -4.626 1.740 1.00 0.00 O ATOM 0 H TYR A 125 22.120 -6.066 5.882 1.00 0.00 H new ATOM 0 HA TYR A 125 22.714 -7.412 8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 125 24.803 -7.970 6.909 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.264 -8.439 6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.327 -5.254 6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.285 -8.261 3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.639 -3.899 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.698 -6.945 1.825 1.00 0.00 H new ATOM 0 HH TYR A 125 24.488 -5.015 0.983 1.00 0.00 H new ATOM 1087 N ARG A 126 23.683 -4.691 8.833 1.00 0.00 N ATOM 1088 CA ARG A 126 24.513 -3.704 9.538 1.00 0.00 C ATOM 1089 C ARG A 126 25.759 -3.241 8.756 1.00 0.00 C ATOM 1090 O ARG A 126 25.779 -2.123 8.250 1.00 0.00 O ATOM 1091 CB ARG A 126 24.851 -4.189 10.964 1.00 0.00 C ATOM 1092 CG ARG A 126 23.887 -3.723 12.070 1.00 0.00 C ATOM 1093 CD ARG A 126 22.395 -3.893 11.756 1.00 0.00 C ATOM 1094 NE ARG A 126 21.879 -2.721 11.019 1.00 0.00 N ATOM 1095 CZ ARG A 126 20.633 -2.525 10.583 1.00 0.00 C ATOM 1096 NH1 ARG A 126 19.692 -3.421 10.798 1.00 0.00 N ATOM 1097 NH2 ARG A 126 20.337 -1.421 9.933 1.00 0.00 N ATOM 0 H ARG A 126 22.721 -4.376 8.705 1.00 0.00 H new ATOM 0 HA ARG A 126 23.905 -2.803 9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.874 -5.279 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 126 25.856 -3.849 11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 126 24.114 -4.274 12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 126 24.080 -2.670 12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 126 22.243 -4.796 11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.836 -4.021 12.683 1.00 0.00 H new ATOM 0 HE ARG A 126 22.550 -1.979 10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.911 -4.279 11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.744 -3.257 10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 126 21.058 -0.720 9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.386 -1.266 9.597 1.00 0.00 H new ATOM 1284 N LEU B 68 17.832 15.174 4.010 1.00 0.00 N ATOM 1285 CA LEU B 68 18.695 14.007 3.814 1.00 0.00 C ATOM 1286 C LEU B 68 20.159 14.456 3.947 1.00 0.00 C ATOM 1287 O LEU B 68 20.744 15.031 3.031 1.00 0.00 O ATOM 1288 CB LEU B 68 18.376 13.309 2.476 1.00 0.00 C ATOM 1289 CG LEU B 68 17.890 11.852 2.638 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.517 11.792 3.318 1.00 0.00 C ATOM 1291 CD2 LEU B 68 17.779 11.195 1.257 1.00 0.00 C ATOM 0 HA LEU B 68 18.510 13.254 4.580 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.612 13.882 1.950 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.268 13.318 1.850 1.00 0.00 H new ATOM 0 HG LEU B 68 18.613 11.325 3.260 1.00 0.00 H new ATOM 0 HD11 LEU B 68 16.205 10.752 3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 68 16.580 12.247 4.307 1.00 0.00 H new ATOM 0 HD13 LEU B 68 15.788 12.334 2.715 1.00 0.00 H new ATOM 0 HD21 LEU B 68 17.436 10.167 1.370 1.00 0.00 H new ATOM 0 HD22 LEU B 68 17.067 11.750 0.646 1.00 0.00 H new ATOM 0 HD23 LEU B 68 18.755 11.201 0.772 1.00 0.00 H new ATOM 1303 N SER B 69 20.738 14.228 5.124 1.00 0.00 N ATOM 1304 CA SER B 69 22.127 14.480 5.480 1.00 0.00 C ATOM 1305 C SER B 69 22.821 13.193 5.968 1.00 0.00 C ATOM 1306 O SER B 69 22.298 12.091 5.810 1.00 0.00 O ATOM 1307 CB SER B 69 22.161 15.573 6.554 1.00 0.00 C ATOM 1308 OG SER B 69 23.476 16.084 6.705 1.00 0.00 O ATOM 0 H SER B 69 20.211 13.836 5.904 1.00 0.00 H new ATOM 0 HA SER B 69 22.676 14.816 4.600 1.00 0.00 H new ATOM 0 HB2 SER B 69 21.481 16.380 6.281 1.00 0.00 H new ATOM 0 HB3 SER B 69 21.811 15.168 7.504 1.00 0.00 H new ATOM 0 HG SER B 69 23.993 15.903 5.892 1.00 0.00 H new ATOM 1314 N ALA B 70 24.016 13.346 6.542 1.00 0.00 N ATOM 1315 CA ALA B 70 24.991 12.288 6.814 1.00 0.00 C ATOM 1316 C ALA B 70 24.386 10.918 7.172 1.00 0.00 C ATOM 1317 O ALA B 70 24.493 9.972 6.397 1.00 0.00 O ATOM 1318 CB ALA B 70 25.962 12.777 7.895 1.00 0.00 C ATOM 0 H ALA B 70 24.347 14.261 6.846 1.00 0.00 H new ATOM 0 HA ALA B 70 25.520 12.099 5.880 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.694 11.997 8.107 1.00 0.00 H new ATOM 0 HB2 ALA B 70 26.476 13.672 7.544 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.407 13.010 8.804 1.00 0.00 H new ATOM 1324 N CYS B 71 23.771 10.801 8.348 1.00 0.00 N ATOM 1325 CA CYS B 71 23.274 9.525 8.847 1.00 0.00 C ATOM 1326 C CYS B 71 22.179 8.897 7.972 1.00 0.00 C ATOM 1327 O CYS B 71 22.393 7.829 7.414 1.00 0.00 O ATOM 1328 CB CYS B 71 22.891 9.619 10.330 1.00 0.00 C ATOM 1329 SG CYS B 71 21.914 11.071 10.790 1.00 0.00 S ATOM 0 H CYS B 71 23.605 11.586 8.978 1.00 0.00 H new ATOM 0 HA CYS B 71 24.103 8.821 8.775 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.330 8.724 10.600 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.805 9.614 10.925 1.00 0.00 H new ATOM 0 HG CYS B 71 20.953 11.238 9.930 1.00 0.00 H new ATOM 1335 N GLU B 72 21.006 9.508 7.824 1.00 0.00 N ATOM 1336 CA GLU B 72 19.934 8.954 6.997 1.00 0.00 C ATOM 1337 C GLU B 72 20.385 8.677 5.547 1.00 0.00 C ATOM 1338 O GLU B 72 20.091 7.615 5.011 1.00 0.00 O ATOM 1339 CB GLU B 72 18.651 9.796 7.127 1.00 0.00 C ATOM 1340 CG GLU B 72 18.817 11.281 6.740 1.00 0.00 C ATOM 1341 CD GLU B 72 19.554 12.119 7.767 1.00 0.00 C ATOM 1342 OE1 GLU B 72 19.740 11.667 8.912 1.00 0.00 O ATOM 1343 OE2 GLU B 72 19.926 13.263 7.452 1.00 0.00 O ATOM 0 H GLU B 72 20.771 10.395 8.270 1.00 0.00 H new ATOM 0 HA GLU B 72 19.680 7.966 7.381 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.877 9.355 6.499 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.297 9.739 8.156 1.00 0.00 H new ATOM 0 HG2 GLU B 72 19.351 11.339 5.791 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.830 11.714 6.577 1.00 0.00 H new ATOM 1350 N VAL B 73 21.177 9.563 4.932 1.00 0.00 N ATOM 1351 CA VAL B 73 21.737 9.322 3.598 1.00 0.00 C ATOM 1352 C VAL B 73 22.674 8.104 3.581 1.00 0.00 C ATOM 1353 O VAL B 73 22.601 7.277 2.679 1.00 0.00 O ATOM 1354 CB VAL B 73 22.444 10.586 3.079 1.00 0.00 C ATOM 1355 CG1 VAL B 73 23.104 10.358 1.719 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.435 11.715 2.875 1.00 0.00 C ATOM 0 H VAL B 73 21.445 10.458 5.340 1.00 0.00 H new ATOM 0 HA VAL B 73 20.912 9.090 2.925 1.00 0.00 H new ATOM 0 HB VAL B 73 23.195 10.839 3.827 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.591 11.277 1.392 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.846 9.564 1.803 1.00 0.00 H new ATOM 0 HG13 VAL B 73 22.346 10.070 0.991 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.951 12.602 2.508 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.684 11.405 2.148 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.949 11.945 3.823 1.00 0.00 H new ATOM 1366 N ALA B 74 23.543 7.969 4.581 1.00 0.00 N ATOM 1367 CA ALA B 74 24.406 6.795 4.696 1.00 0.00 C ATOM 1368 C ALA B 74 23.582 5.512 4.883 1.00 0.00 C ATOM 1369 O ALA B 74 23.793 4.500 4.219 1.00 0.00 O ATOM 1370 CB ALA B 74 25.384 6.997 5.855 1.00 0.00 C ATOM 0 H ALA B 74 23.668 8.658 5.323 1.00 0.00 H new ATOM 0 HA ALA B 74 24.970 6.679 3.770 1.00 0.00 H new ATOM 0 HB1 ALA B 74 26.029 6.123 5.943 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.994 7.881 5.667 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.827 7.132 6.782 1.00 0.00 H new ATOM 1376 N VAL B 75 22.614 5.541 5.795 1.00 0.00 N ATOM 1377 CA VAL B 75 21.806 4.366 6.090 1.00 0.00 C ATOM 1378 C VAL B 75 20.890 4.005 4.892 1.00 0.00 C ATOM 1379 O VAL B 75 20.639 2.828 4.643 1.00 0.00 O ATOM 1380 CB VAL B 75 21.123 4.494 7.469 1.00 0.00 C ATOM 1381 CG1 VAL B 75 20.420 3.186 7.851 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.179 4.723 8.563 1.00 0.00 C ATOM 0 H VAL B 75 22.372 6.367 6.342 1.00 0.00 H new ATOM 0 HA VAL B 75 22.444 3.489 6.200 1.00 0.00 H new ATOM 0 HB VAL B 75 20.418 5.322 7.398 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.946 3.299 8.826 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.662 2.949 7.104 1.00 0.00 H new ATOM 0 HG13 VAL B 75 21.152 2.379 7.895 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.686 4.812 9.531 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.870 3.880 8.583 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.730 5.639 8.351 1.00 0.00 H new ATOM 1392 N LEU B 76 20.453 4.984 4.089 1.00 0.00 N ATOM 1393 CA LEU B 76 19.801 4.759 2.787 1.00 0.00 C ATOM 1394 C LEU B 76 20.624 3.875 1.828 1.00 0.00 C ATOM 1395 O LEU B 76 20.065 3.074 1.080 1.00 0.00 O ATOM 1396 CB LEU B 76 19.421 6.091 2.125 1.00 0.00 C ATOM 1397 CG LEU B 76 18.173 6.819 2.676 1.00 0.00 C ATOM 1398 CD1 LEU B 76 17.183 7.072 1.533 1.00 0.00 C ATOM 1399 CD2 LEU B 76 17.406 6.130 3.814 1.00 0.00 C ATOM 0 H LEU B 76 20.543 5.972 4.327 1.00 0.00 H new ATOM 0 HA LEU B 76 18.890 4.200 2.999 1.00 0.00 H new ATOM 0 HB2 LEU B 76 20.272 6.766 2.210 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.265 5.908 1.062 1.00 0.00 H new ATOM 0 HG LEU B 76 18.582 7.731 3.112 1.00 0.00 H new ATOM 0 HD11 LEU B 76 16.303 7.585 1.921 1.00 0.00 H new ATOM 0 HD12 LEU B 76 17.657 7.690 0.771 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.884 6.120 1.093 1.00 0.00 H new ATOM 0 HD21 LEU B 76 16.555 6.746 4.105 1.00 0.00 H new ATOM 0 HD22 LEU B 76 17.050 5.157 3.476 1.00 0.00 H new ATOM 0 HD23 LEU B 76 18.067 5.997 4.670 1.00 0.00 H new ATOM 1411 N ASP B 77 21.947 3.987 1.866 1.00 0.00 N ATOM 1412 CA ASP B 77 22.832 3.119 1.088 1.00 0.00 C ATOM 1413 C ASP B 77 22.916 1.747 1.770 1.00 0.00 C ATOM 1414 O ASP B 77 22.615 0.735 1.148 1.00 0.00 O ATOM 1415 CB ASP B 77 24.209 3.780 0.941 1.00 0.00 C ATOM 1416 CG ASP B 77 25.167 2.840 0.231 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.110 2.783 -1.015 1.00 0.00 O ATOM 1418 OD2 ASP B 77 25.893 2.130 0.955 1.00 0.00 O ATOM 0 H ASP B 77 22.438 4.678 2.434 1.00 0.00 H new ATOM 0 HA ASP B 77 22.436 2.971 0.084 1.00 0.00 H new ATOM 0 HB2 ASP B 77 24.116 4.710 0.379 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.603 4.039 1.924 1.00 0.00 H new ATOM 1423 N LEU B 78 23.195 1.683 3.076 1.00 0.00 N ATOM 1424 CA LEU B 78 23.145 0.432 3.822 1.00 0.00 C ATOM 1425 C LEU B 78 21.852 -0.360 3.526 1.00 0.00 C ATOM 1426 O LEU B 78 21.895 -1.582 3.370 1.00 0.00 O ATOM 1427 CB LEU B 78 23.351 0.724 5.316 1.00 0.00 C ATOM 1428 CG LEU B 78 24.675 1.419 5.669 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.767 1.566 7.192 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.901 0.640 5.176 1.00 0.00 C ATOM 0 H LEU B 78 23.459 2.493 3.637 1.00 0.00 H new ATOM 0 HA LEU B 78 23.956 -0.218 3.495 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.528 1.347 5.665 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.295 -0.216 5.865 1.00 0.00 H new ATOM 0 HG LEU B 78 24.678 2.389 5.172 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.703 2.058 7.454 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.930 2.164 7.551 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.733 0.580 7.655 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.808 1.177 5.453 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.911 -0.350 5.633 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.856 0.539 4.092 1.00 0.00 H new ATOM 1442 N TYR B 79 20.707 0.317 3.380 1.00 0.00 N ATOM 1443 CA TYR B 79 19.481 -0.262 2.842 1.00 0.00 C ATOM 1444 C TYR B 79 19.624 -0.811 1.416 1.00 0.00 C ATOM 1445 O TYR B 79 19.344 -1.992 1.198 1.00 0.00 O ATOM 1446 CB TYR B 79 18.328 0.750 2.919 1.00 0.00 C ATOM 1447 CG TYR B 79 17.753 0.959 4.303 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.385 -0.144 5.094 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.653 2.250 4.844 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.120 0.037 6.457 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.475 2.417 6.221 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.358 1.290 7.036 1.00 0.00 C ATOM 1453 OH TYR B 79 17.364 1.414 8.385 1.00 0.00 O ATOM 0 H TYR B 79 20.610 1.299 3.638 1.00 0.00 H new ATOM 0 HA TYR B 79 19.255 -1.123 3.471 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.680 1.709 2.539 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.529 0.419 2.256 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.307 -1.126 4.652 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.713 3.113 4.198 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.737 -0.778 7.053 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.429 3.407 6.649 1.00 0.00 H new ATOM 0 HH TYR B 79 17.456 0.528 8.795 1.00 0.00 H new ATOM 1463 N GLU B 80 20.009 -0.001 0.435 1.00 0.00 N ATOM 1464 CA GLU B 80 19.981 -0.395 -0.973 1.00 0.00 C ATOM 1465 C GLU B 80 21.132 -1.350 -1.376 1.00 0.00 C ATOM 1466 O GLU B 80 20.939 -2.308 -2.118 1.00 0.00 O ATOM 1467 CB GLU B 80 19.863 0.872 -1.819 1.00 0.00 C ATOM 1468 CG GLU B 80 19.555 0.532 -3.285 1.00 0.00 C ATOM 1469 CD GLU B 80 18.284 -0.302 -3.502 1.00 0.00 C ATOM 1470 OE1 GLU B 80 17.193 0.204 -3.163 1.00 0.00 O ATOM 1471 OE2 GLU B 80 18.401 -1.458 -3.972 1.00 0.00 O ATOM 0 H GLU B 80 20.350 0.948 0.592 1.00 0.00 H new ATOM 0 HA GLU B 80 19.103 -1.013 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU B 80 19.075 1.509 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU B 80 20.792 1.439 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU B 80 19.462 1.462 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU B 80 20.403 -0.010 -3.703 1.00 0.00 H new ATOM 1478 N GLN B 81 22.295 -1.243 -0.739 1.00 0.00 N ATOM 1479 CA GLN B 81 23.297 -2.316 -0.704 1.00 0.00 C ATOM 1480 C GLN B 81 22.732 -3.608 -0.067 1.00 0.00 C ATOM 1481 O GLN B 81 23.181 -4.723 -0.342 1.00 0.00 O ATOM 1482 CB GLN B 81 24.553 -1.845 0.044 1.00 0.00 C ATOM 1483 CG GLN B 81 25.160 -0.538 -0.497 1.00 0.00 C ATOM 1484 CD GLN B 81 25.594 -0.576 -1.952 1.00 0.00 C ATOM 1485 OE1 GLN B 81 25.842 -1.633 -2.524 1.00 0.00 O ATOM 1486 NE2 GLN B 81 25.695 0.578 -2.580 1.00 0.00 N ATOM 0 H GLN B 81 22.575 -0.406 -0.228 1.00 0.00 H new ATOM 0 HA GLN B 81 23.567 -2.554 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN B 81 24.305 -1.708 1.097 1.00 0.00 H new ATOM 0 HB3 GLN B 81 25.307 -2.630 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN B 81 24.429 0.261 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN B 81 26.023 -0.277 0.116 1.00 0.00 H new ATOM 0 HE21 GLN B 81 25.485 1.446 -2.088 1.00 0.00 H new ATOM 0 HE22 GLN B 81 25.983 0.603 -3.558 1.00 0.00 H new ATOM 1495 N SER B 82 21.720 -3.493 0.802 1.00 0.00 N ATOM 1496 CA SER B 82 20.887 -4.617 1.240 1.00 0.00 C ATOM 1497 C SER B 82 19.671 -4.914 0.337 1.00 0.00 C ATOM 1498 O SER B 82 18.950 -5.878 0.626 1.00 0.00 O ATOM 1499 CB SER B 82 20.457 -4.438 2.702 1.00 0.00 C ATOM 1500 OG SER B 82 21.342 -5.196 3.517 1.00 0.00 O ATOM 0 H SER B 82 21.454 -2.604 1.226 1.00 0.00 H new ATOM 0 HA SER B 82 21.524 -5.497 1.152 1.00 0.00 H new ATOM 0 HB2 SER B 82 20.489 -3.385 2.982 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.429 -4.774 2.841 1.00 0.00 H new ATOM 0 HG SER B 82 22.151 -5.412 3.008 1.00 0.00 H new ATOM 1506 N ASN B 83 19.470 -4.120 -0.713 1.00 0.00 N ATOM 1507 CA ASN B 83 18.308 -3.963 -1.589 1.00 0.00 C ATOM 1508 C ASN B 83 16.982 -3.726 -0.853 1.00 0.00 C ATOM 1509 O ASN B 83 16.033 -4.486 -1.018 1.00 0.00 O ATOM 1510 CB ASN B 83 18.254 -5.078 -2.642 1.00 0.00 C ATOM 1511 CG ASN B 83 17.057 -4.905 -3.568 1.00 0.00 C ATOM 1512 OD1 ASN B 83 16.148 -5.738 -3.569 1.00 0.00 O ATOM 1513 ND2 ASN B 83 16.975 -3.809 -4.297 1.00 0.00 N ATOM 0 H ASN B 83 20.215 -3.489 -1.008 1.00 0.00 H new ATOM 0 HA ASN B 83 18.453 -3.027 -2.129 1.00 0.00 H new ATOM 0 HB2 ASN B 83 19.173 -5.073 -3.227 1.00 0.00 H new ATOM 0 HB3 ASN B 83 18.196 -6.047 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN B 83 16.150 -3.640 -4.873 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.736 -3.130 -4.285 1.00 0.00 H new ATOM 1520 N ILE B 84 16.903 -2.700 -0.012 1.00 0.00 N ATOM 1521 CA ILE B 84 15.702 -2.342 0.748 1.00 0.00 C ATOM 1522 C ILE B 84 15.083 -1.019 0.243 1.00 0.00 C ATOM 1523 O ILE B 84 15.611 0.053 0.525 1.00 0.00 O ATOM 1524 CB ILE B 84 16.073 -2.288 2.243 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.140 -3.720 2.794 1.00 0.00 C ATOM 1526 CG2 ILE B 84 15.091 -1.422 3.044 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.859 -3.803 4.142 1.00 0.00 C ATOM 0 H ILE B 84 17.690 -2.076 0.167 1.00 0.00 H new ATOM 0 HA ILE B 84 14.931 -3.098 0.602 1.00 0.00 H new ATOM 0 HB ILE B 84 17.050 -1.817 2.347 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.128 -4.111 2.902 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.653 -4.358 2.074 1.00 0.00 H new ATOM 0 HG21 ILE B 84 15.388 -1.410 4.093 1.00 0.00 H new ATOM 0 HG22 ILE B 84 15.100 -0.405 2.653 1.00 0.00 H new ATOM 0 HG23 ILE B 84 14.086 -1.835 2.956 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.876 -4.838 4.482 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.881 -3.440 4.032 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.333 -3.189 4.873 1.00 0.00 H new ATOM 1539 N ARG B 85 13.894 -1.059 -0.373 1.00 0.00 N ATOM 1540 CA ARG B 85 13.102 0.163 -0.557 1.00 0.00 C ATOM 1541 C ARG B 85 12.521 0.564 0.808 1.00 0.00 C ATOM 1542 O ARG B 85 11.786 -0.201 1.429 1.00 0.00 O ATOM 1543 CB ARG B 85 11.992 -0.021 -1.615 1.00 0.00 C ATOM 1544 CG ARG B 85 11.266 1.306 -1.948 1.00 0.00 C ATOM 1545 CD ARG B 85 10.055 1.104 -2.881 1.00 0.00 C ATOM 1546 NE ARG B 85 9.140 2.282 -2.876 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.414 2.792 -3.884 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.417 2.271 -5.096 1.00 0.00 N ATOM 1549 NH2 ARG B 85 7.680 3.862 -3.679 1.00 0.00 N ATOM 0 H ARG B 85 13.466 -1.907 -0.746 1.00 0.00 H new ATOM 0 HA ARG B 85 13.744 0.959 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.427 -0.432 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.265 -0.748 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG B 85 10.932 1.775 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG B 85 11.970 1.993 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.407 0.923 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG B 85 9.504 0.216 -2.572 1.00 0.00 H new ATOM 0 HE ARG B 85 9.054 2.767 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG B 85 8.986 1.449 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG B 85 7.850 2.691 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG B 85 7.664 4.301 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.126 4.254 -4.441 1.00 0.00 H new ATOM 1563 N ILE B 86 12.843 1.746 1.316 1.00 0.00 N ATOM 1564 CA ILE B 86 12.173 2.338 2.478 1.00 0.00 C ATOM 1565 C ILE B 86 10.883 3.049 2.014 1.00 0.00 C ATOM 1566 O ILE B 86 10.960 3.820 1.063 1.00 0.00 O ATOM 1567 CB ILE B 86 13.188 3.248 3.190 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.358 2.444 3.794 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.524 4.084 4.279 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.942 1.301 4.736 1.00 0.00 C ATOM 0 H ILE B 86 13.585 2.332 0.932 1.00 0.00 H new ATOM 0 HA ILE B 86 11.849 1.592 3.203 1.00 0.00 H new ATOM 0 HB ILE B 86 13.588 3.917 2.428 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.951 2.027 2.980 1.00 0.00 H new ATOM 0 HG13 ILE B 86 15.006 3.129 4.342 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.272 4.715 4.760 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.751 4.712 3.835 1.00 0.00 H new ATOM 0 HG23 ILE B 86 12.074 3.424 5.021 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.832 0.795 5.110 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.377 1.708 5.575 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.322 0.589 4.192 1.00 0.00 H new ATOM 1582 N PRO B 87 9.706 2.733 2.601 1.00 0.00 N ATOM 1583 CA PRO B 87 8.449 3.360 2.224 1.00 0.00 C ATOM 1584 C PRO B 87 8.538 4.885 2.187 1.00 0.00 C ATOM 1585 O PRO B 87 9.108 5.503 3.083 1.00 0.00 O ATOM 1586 CB PRO B 87 7.415 2.890 3.254 1.00 0.00 C ATOM 1587 CG PRO B 87 7.937 1.524 3.690 1.00 0.00 C ATOM 1588 CD PRO B 87 9.455 1.677 3.570 1.00 0.00 C ATOM 0 HA PRO B 87 8.172 3.069 1.211 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.345 3.580 4.095 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.419 2.818 2.818 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.636 1.284 4.710 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.561 0.726 3.050 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.894 1.929 4.536 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.912 0.742 3.246 1.00 0.00 H new ATOM 1596 N SER B 88 7.942 5.488 1.174 1.00 0.00 N ATOM 1597 CA SER B 88 7.809 6.928 1.018 1.00 0.00 C ATOM 1598 C SER B 88 7.315 7.597 2.313 1.00 0.00 C ATOM 1599 O SER B 88 7.908 8.574 2.770 1.00 0.00 O ATOM 1600 CB SER B 88 6.896 7.162 -0.187 1.00 0.00 C ATOM 1601 OG SER B 88 7.484 6.556 -1.329 1.00 0.00 O ATOM 0 H SER B 88 7.520 4.968 0.405 1.00 0.00 H new ATOM 0 HA SER B 88 8.774 7.398 0.830 1.00 0.00 H new ATOM 0 HB2 SER B 88 5.909 6.739 -0.001 1.00 0.00 H new ATOM 0 HB3 SER B 88 6.758 8.230 -0.355 1.00 0.00 H new ATOM 0 HG SER B 88 7.285 5.596 -1.329 1.00 0.00 H new ATOM 1607 N ASP B 89 6.307 7.025 2.977 1.00 0.00 N ATOM 1608 CA ASP B 89 5.852 7.445 4.299 1.00 0.00 C ATOM 1609 C ASP B 89 6.975 7.498 5.358 1.00 0.00 C ATOM 1610 O ASP B 89 7.067 8.450 6.132 1.00 0.00 O ATOM 1611 CB ASP B 89 4.747 6.491 4.760 1.00 0.00 C ATOM 1612 CG ASP B 89 3.481 6.562 3.938 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.589 6.458 2.701 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.409 6.654 4.574 1.00 0.00 O ATOM 0 H ASP B 89 5.775 6.241 2.600 1.00 0.00 H new ATOM 0 HA ASP B 89 5.483 8.466 4.204 1.00 0.00 H new ATOM 0 HB2 ASP B 89 5.129 5.470 4.730 1.00 0.00 H new ATOM 0 HB3 ASP B 89 4.504 6.711 5.800 1.00 0.00 H new ATOM 1619 N ILE B 90 7.844 6.478 5.420 1.00 0.00 N ATOM 1620 CA ILE B 90 9.025 6.557 6.290 1.00 0.00 C ATOM 1621 C ILE B 90 9.833 7.806 5.934 1.00 0.00 C ATOM 1622 O ILE B 90 10.171 8.599 6.800 1.00 0.00 O ATOM 1623 CB ILE B 90 9.947 5.324 6.172 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.363 3.990 6.642 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.294 5.594 6.871 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.185 3.938 8.148 1.00 0.00 C ATOM 0 H ILE B 90 7.755 5.610 4.892 1.00 0.00 H new ATOM 0 HA ILE B 90 8.659 6.598 7.316 1.00 0.00 H new ATOM 0 HB ILE B 90 10.082 5.193 5.098 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.400 3.827 6.159 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.019 3.178 6.328 1.00 0.00 H new ATOM 0 HG21 ILE B 90 11.934 4.716 6.780 1.00 0.00 H new ATOM 0 HG22 ILE B 90 11.782 6.449 6.403 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.120 5.808 7.926 1.00 0.00 H new ATOM 0 HD11 ILE B 90 8.768 2.972 8.432 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.152 4.073 8.633 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.507 4.732 8.462 1.00 0.00 H new ATOM 1638 N ILE B 91 10.177 7.970 4.657 1.00 0.00 N ATOM 1639 CA ILE B 91 11.049 9.051 4.203 1.00 0.00 C ATOM 1640 C ILE B 91 10.455 10.418 4.587 1.00 0.00 C ATOM 1641 O ILE B 91 11.152 11.268 5.140 1.00 0.00 O ATOM 1642 CB ILE B 91 11.329 8.887 2.692 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.034 7.535 2.447 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.181 10.047 2.163 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.249 7.195 0.971 1.00 0.00 C ATOM 0 H ILE B 91 9.858 7.356 3.908 1.00 0.00 H new ATOM 0 HA ILE B 91 12.015 9.000 4.706 1.00 0.00 H new ATOM 0 HB ILE B 91 10.382 8.902 2.152 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.001 7.547 2.950 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.445 6.742 2.908 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.364 9.908 1.098 1.00 0.00 H new ATOM 0 HG22 ILE B 91 11.653 10.988 2.321 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.132 10.071 2.694 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.750 6.230 0.889 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.285 7.148 0.464 1.00 0.00 H new ATOM 0 HD13 ILE B 91 12.866 7.964 0.506 1.00 0.00 H new ATOM 1657 N GLU B 92 9.152 10.592 4.353 1.00 0.00 N ATOM 1658 CA GLU B 92 8.371 11.741 4.812 1.00 0.00 C ATOM 1659 C GLU B 92 8.597 12.051 6.307 1.00 0.00 C ATOM 1660 O GLU B 92 9.062 13.143 6.648 1.00 0.00 O ATOM 1661 CB GLU B 92 6.895 11.493 4.446 1.00 0.00 C ATOM 1662 CG GLU B 92 5.875 12.430 5.128 1.00 0.00 C ATOM 1663 CD GLU B 92 6.199 13.906 5.043 1.00 0.00 C ATOM 1664 OE1 GLU B 92 6.664 14.376 3.981 1.00 0.00 O ATOM 1665 OE2 GLU B 92 6.064 14.600 6.075 1.00 0.00 O ATOM 0 H GLU B 92 8.597 9.919 3.825 1.00 0.00 H new ATOM 0 HA GLU B 92 8.708 12.645 4.306 1.00 0.00 H new ATOM 0 HB2 GLU B 92 6.785 11.590 3.366 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.644 10.464 4.701 1.00 0.00 H new ATOM 0 HG2 GLU B 92 4.896 12.263 4.679 1.00 0.00 H new ATOM 0 HG3 GLU B 92 5.796 12.152 6.179 1.00 0.00 H new ATOM 1672 N ASP B 93 8.307 11.095 7.196 1.00 0.00 N ATOM 1673 CA ASP B 93 8.429 11.301 8.634 1.00 0.00 C ATOM 1674 C ASP B 93 9.897 11.489 9.058 1.00 0.00 C ATOM 1675 O ASP B 93 10.250 12.488 9.676 1.00 0.00 O ATOM 1676 CB ASP B 93 7.750 10.144 9.371 1.00 0.00 C ATOM 1677 CG ASP B 93 7.955 10.287 10.863 1.00 0.00 C ATOM 1678 OD1 ASP B 93 7.270 11.132 11.471 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.837 9.572 11.381 1.00 0.00 O ATOM 0 H ASP B 93 7.983 10.163 6.936 1.00 0.00 H new ATOM 0 HA ASP B 93 7.921 12.225 8.908 1.00 0.00 H new ATOM 0 HB2 ASP B 93 6.684 10.132 9.142 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.160 9.194 9.029 1.00 0.00 H new ATOM 1684 N LEU B 94 10.763 10.539 8.707 1.00 0.00 N ATOM 1685 CA LEU B 94 12.173 10.507 9.117 1.00 0.00 C ATOM 1686 C LEU B 94 12.864 11.866 8.890 1.00 0.00 C ATOM 1687 O LEU B 94 13.506 12.425 9.781 1.00 0.00 O ATOM 1688 CB LEU B 94 12.916 9.390 8.355 1.00 0.00 C ATOM 1689 CG LEU B 94 13.940 8.602 9.184 1.00 0.00 C ATOM 1690 CD1 LEU B 94 14.884 9.475 10.005 1.00 0.00 C ATOM 1691 CD2 LEU B 94 13.206 7.616 10.084 1.00 0.00 C ATOM 0 H LEU B 94 10.501 9.750 8.116 1.00 0.00 H new ATOM 0 HA LEU B 94 12.208 10.298 10.186 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.180 8.692 7.958 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.428 9.833 7.501 1.00 0.00 H new ATOM 0 HG LEU B 94 14.578 8.074 8.475 1.00 0.00 H new ATOM 0 HD11 LEU B 94 15.575 8.841 10.561 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.447 10.129 9.339 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.305 10.080 10.703 1.00 0.00 H new ATOM 0 HD21 LEU B 94 13.930 7.054 10.675 1.00 0.00 H new ATOM 0 HD22 LEU B 94 12.538 8.160 10.751 1.00 0.00 H new ATOM 0 HD23 LEU B 94 12.625 6.927 9.471 1.00 0.00 H new ATOM 1703 N VAL B 95 12.686 12.416 7.687 1.00 0.00 N ATOM 1704 CA VAL B 95 13.146 13.749 7.302 1.00 0.00 C ATOM 1705 C VAL B 95 12.655 14.846 8.269 1.00 0.00 C ATOM 1706 O VAL B 95 13.435 15.729 8.634 1.00 0.00 O ATOM 1707 CB VAL B 95 12.734 13.994 5.838 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.921 15.443 5.389 1.00 0.00 C ATOM 1709 CG2 VAL B 95 13.581 13.118 4.903 1.00 0.00 C ATOM 0 H VAL B 95 12.203 11.930 6.932 1.00 0.00 H new ATOM 0 HA VAL B 95 14.232 13.799 7.375 1.00 0.00 H new ATOM 0 HB VAL B 95 11.674 13.748 5.784 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.612 15.544 4.349 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.314 16.099 6.014 1.00 0.00 H new ATOM 0 HG13 VAL B 95 13.971 15.721 5.484 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.284 13.296 3.869 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.635 13.368 5.026 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.426 12.068 5.149 1.00 0.00 H new ATOM 1719 N ASN B 96 11.397 14.786 8.715 1.00 0.00 N ATOM 1720 CA ASN B 96 10.853 15.679 9.744 1.00 0.00 C ATOM 1721 C ASN B 96 11.504 15.424 11.116 1.00 0.00 C ATOM 1722 O ASN B 96 12.015 16.334 11.766 1.00 0.00 O ATOM 1723 CB ASN B 96 9.326 15.508 9.870 1.00 0.00 C ATOM 1724 CG ASN B 96 8.567 15.582 8.555 1.00 0.00 C ATOM 1725 OD1 ASN B 96 8.971 16.259 7.615 1.00 0.00 O ATOM 1726 ND2 ASN B 96 7.432 14.905 8.482 1.00 0.00 N ATOM 0 H ASN B 96 10.719 14.108 8.368 1.00 0.00 H new ATOM 0 HA ASN B 96 11.080 16.698 9.432 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.119 14.546 10.339 1.00 0.00 H new ATOM 0 HB3 ASN B 96 8.942 16.278 10.539 1.00 0.00 H new ATOM 0 HD21 ASN B 96 6.872 14.939 7.630 1.00 0.00 H new ATOM 0 HD22 ASN B 96 7.118 14.349 9.277 1.00 0.00 H new ATOM 1733 N GLN B 97 11.486 14.172 11.581 1.00 0.00 N ATOM 1734 CA GLN B 97 11.960 13.807 12.917 1.00 0.00 C ATOM 1735 C GLN B 97 13.454 14.090 13.132 1.00 0.00 C ATOM 1736 O GLN B 97 13.845 14.496 14.227 1.00 0.00 O ATOM 1737 CB GLN B 97 11.585 12.361 13.267 1.00 0.00 C ATOM 1738 CG GLN B 97 10.087 12.046 13.111 1.00 0.00 C ATOM 1739 CD GLN B 97 9.123 12.974 13.841 1.00 0.00 C ATOM 1740 OE1 GLN B 97 9.474 13.699 14.767 1.00 0.00 O ATOM 1741 NE2 GLN B 97 7.867 12.967 13.438 1.00 0.00 N ATOM 0 H GLN B 97 11.141 13.380 11.038 1.00 0.00 H new ATOM 0 HA GLN B 97 11.440 14.461 13.617 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.156 11.685 12.631 1.00 0.00 H new ATOM 0 HB3 GLN B 97 11.883 12.158 14.296 1.00 0.00 H new ATOM 0 HG2 GLN B 97 9.842 12.065 12.049 1.00 0.00 H new ATOM 0 HG3 GLN B 97 9.913 11.028 13.460 1.00 0.00 H new ATOM 0 HE21 GLN B 97 7.582 12.362 12.668 1.00 0.00 H new ATOM 0 HE22 GLN B 97 7.181 13.567 13.897 1.00 0.00 H new ATOM 1750 N ARG B 98 14.274 13.982 12.086 1.00 0.00 N ATOM 1751 CA ARG B 98 15.571 14.653 12.021 1.00 0.00 C ATOM 1752 C ARG B 98 16.558 14.183 13.112 1.00 0.00 C ATOM 1753 O ARG B 98 17.178 14.990 13.796 1.00 0.00 O ATOM 1754 CB ARG B 98 15.297 16.174 12.010 1.00 0.00 C ATOM 1755 CG ARG B 98 16.478 17.147 11.892 1.00 0.00 C ATOM 1756 CD ARG B 98 17.378 16.837 10.702 1.00 0.00 C ATOM 1757 NE ARG B 98 18.262 15.685 10.986 1.00 0.00 N ATOM 1758 CZ ARG B 98 18.784 14.866 10.073 1.00 0.00 C ATOM 1759 NH1 ARG B 98 18.488 15.023 8.801 1.00 0.00 N ATOM 1760 NH2 ARG B 98 19.597 13.894 10.422 1.00 0.00 N ATOM 0 H ARG B 98 14.056 13.426 11.259 1.00 0.00 H new ATOM 0 HA ARG B 98 16.095 14.381 11.105 1.00 0.00 H new ATOM 0 HB2 ARG B 98 14.619 16.379 11.182 1.00 0.00 H new ATOM 0 HB3 ARG B 98 14.762 16.418 12.928 1.00 0.00 H new ATOM 0 HG2 ARG B 98 16.098 18.164 11.799 1.00 0.00 H new ATOM 0 HG3 ARG B 98 17.068 17.109 12.808 1.00 0.00 H new ATOM 0 HD2 ARG B 98 16.766 16.622 9.826 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.982 17.712 10.462 1.00 0.00 H new ATOM 0 HE ARG B 98 18.491 15.502 11.963 1.00 0.00 H new ATOM 0 HH11 ARG B 98 17.859 15.772 8.513 1.00 0.00 H new ATOM 0 HH12 ARG B 98 18.888 14.396 8.103 1.00 0.00 H new ATOM 0 HH21 ARG B 98 19.837 13.758 11.404 1.00 0.00 H new ATOM 0 HH22 ARG B 98 19.988 13.276 9.711 1.00 0.00 H new ATOM 1774 N LEU B 99 16.755 12.868 13.223 1.00 0.00 N ATOM 1775 CA LEU B 99 17.653 12.259 14.217 1.00 0.00 C ATOM 1776 C LEU B 99 19.142 12.591 13.977 1.00 0.00 C ATOM 1777 O LEU B 99 19.484 13.330 13.049 1.00 0.00 O ATOM 1778 CB LEU B 99 17.385 10.748 14.293 1.00 0.00 C ATOM 1779 CG LEU B 99 15.895 10.386 14.444 1.00 0.00 C ATOM 1780 CD1 LEU B 99 15.763 8.876 14.661 1.00 0.00 C ATOM 1781 CD2 LEU B 99 15.237 11.107 15.627 1.00 0.00 C ATOM 0 H LEU B 99 16.293 12.186 12.622 1.00 0.00 H new ATOM 0 HA LEU B 99 17.430 12.700 15.189 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.775 10.274 13.392 1.00 0.00 H new ATOM 0 HB3 LEU B 99 17.937 10.333 15.136 1.00 0.00 H new ATOM 0 HG LEU B 99 15.389 10.701 13.531 1.00 0.00 H new ATOM 0 HD11 LEU B 99 14.710 8.615 14.768 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.183 8.347 13.805 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.302 8.590 15.564 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.188 10.819 15.691 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.746 10.831 16.550 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.309 12.185 15.482 1.00 0.00 H new ATOM 1793 N GLN B 100 20.038 12.092 14.831 1.00 0.00 N ATOM 1794 CA GLN B 100 21.440 12.510 14.898 1.00 0.00 C ATOM 1795 C GLN B 100 22.418 11.478 14.308 1.00 0.00 C ATOM 1796 O GLN B 100 23.361 11.861 13.617 1.00 0.00 O ATOM 1797 CB GLN B 100 21.823 12.847 16.351 1.00 0.00 C ATOM 1798 CG GLN B 100 20.990 13.970 16.996 1.00 0.00 C ATOM 1799 CD GLN B 100 19.549 13.638 17.384 1.00 0.00 C ATOM 1800 OE1 GLN B 100 18.712 14.526 17.462 1.00 0.00 O ATOM 1801 NE2 GLN B 100 19.205 12.394 17.663 1.00 0.00 N ATOM 0 H GLN B 100 19.803 11.369 15.511 1.00 0.00 H new ATOM 0 HA GLN B 100 21.529 13.401 14.276 1.00 0.00 H new ATOM 0 HB2 GLN B 100 21.722 11.946 16.956 1.00 0.00 H new ATOM 0 HB3 GLN B 100 22.874 13.133 16.377 1.00 0.00 H new ATOM 0 HG2 GLN B 100 21.512 14.305 17.892 1.00 0.00 H new ATOM 0 HG3 GLN B 100 20.968 14.813 16.306 1.00 0.00 H new ATOM 0 HE21 GLN B 100 19.897 11.647 17.600 1.00 0.00 H new ATOM 0 HE22 GLN B 100 18.247 12.180 17.941 1.00 0.00 H new ATOM 1810 N SER B 101 22.239 10.187 14.613 1.00 0.00 N ATOM 1811 CA SER B 101 23.182 9.123 14.236 1.00 0.00 C ATOM 1812 C SER B 101 22.591 8.008 13.356 1.00 0.00 C ATOM 1813 O SER B 101 21.416 7.655 13.427 1.00 0.00 O ATOM 1814 CB SER B 101 23.825 8.521 15.494 1.00 0.00 C ATOM 1815 OG SER B 101 24.802 7.541 15.149 1.00 0.00 O ATOM 0 H SER B 101 21.430 9.847 15.132 1.00 0.00 H new ATOM 0 HA SER B 101 23.932 9.610 13.613 1.00 0.00 H new ATOM 0 HB2 SER B 101 24.290 9.312 16.083 1.00 0.00 H new ATOM 0 HB3 SER B 101 23.055 8.068 16.119 1.00 0.00 H new ATOM 0 HG SER B 101 25.235 7.793 14.307 1.00 0.00 H new ATOM 1821 N GLU B 102 23.469 7.390 12.566 1.00 0.00 N ATOM 1822 CA GLU B 102 23.305 6.153 11.817 1.00 0.00 C ATOM 1823 C GLU B 102 22.515 5.097 12.608 1.00 0.00 C ATOM 1824 O GLU B 102 21.554 4.502 12.123 1.00 0.00 O ATOM 1825 CB GLU B 102 24.705 5.632 11.432 1.00 0.00 C ATOM 1826 CG GLU B 102 25.602 6.705 10.771 1.00 0.00 C ATOM 1827 CD GLU B 102 26.541 7.435 11.726 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.084 7.919 12.787 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.764 7.474 11.483 1.00 0.00 O ATOM 0 H GLU B 102 24.399 7.783 12.424 1.00 0.00 H new ATOM 0 HA GLU B 102 22.721 6.354 10.919 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.202 5.255 12.326 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.595 4.790 10.749 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.198 6.230 9.992 1.00 0.00 H new ATOM 0 HG3 GLU B 102 24.963 7.440 10.281 1.00 0.00 H new ATOM 1836 N GLN B 103 22.907 4.888 13.864 1.00 0.00 N ATOM 1837 CA GLN B 103 22.218 3.963 14.759 1.00 0.00 C ATOM 1838 C GLN B 103 20.767 4.390 15.012 1.00 0.00 C ATOM 1839 O GLN B 103 19.849 3.579 14.993 1.00 0.00 O ATOM 1840 CB GLN B 103 22.987 3.847 16.081 1.00 0.00 C ATOM 1841 CG GLN B 103 24.416 3.309 15.906 1.00 0.00 C ATOM 1842 CD GLN B 103 24.484 1.899 15.327 1.00 0.00 C ATOM 1843 OE1 GLN B 103 25.122 1.641 14.315 1.00 0.00 O ATOM 1844 NE2 GLN B 103 23.833 0.940 15.962 1.00 0.00 N ATOM 0 H GLN B 103 23.709 5.354 14.288 1.00 0.00 H new ATOM 0 HA GLN B 103 22.186 2.986 14.276 1.00 0.00 H new ATOM 0 HB2 GLN B 103 23.031 4.827 16.556 1.00 0.00 H new ATOM 0 HB3 GLN B 103 22.439 3.190 16.756 1.00 0.00 H new ATOM 0 HG2 GLN B 103 24.970 3.985 15.255 1.00 0.00 H new ATOM 0 HG3 GLN B 103 24.917 3.317 16.874 1.00 0.00 H new ATOM 0 HE21 GLN B 103 23.302 1.156 16.805 1.00 0.00 H new ATOM 0 HE22 GLN B 103 23.862 -0.016 15.609 1.00 0.00 H new ATOM 1853 N GLU B 104 20.542 5.674 15.244 1.00 0.00 N ATOM 1854 CA GLU B 104 19.222 6.196 15.552 1.00 0.00 C ATOM 1855 C GLU B 104 18.294 6.088 14.343 1.00 0.00 C ATOM 1856 O GLU B 104 17.165 5.617 14.469 1.00 0.00 O ATOM 1857 CB GLU B 104 19.366 7.645 15.996 1.00 0.00 C ATOM 1858 CG GLU B 104 20.311 7.774 17.198 1.00 0.00 C ATOM 1859 CD GLU B 104 20.823 9.198 17.345 1.00 0.00 C ATOM 1860 OE1 GLU B 104 20.246 10.091 16.687 1.00 0.00 O ATOM 1861 OE2 GLU B 104 21.861 9.365 18.009 1.00 0.00 O ATOM 0 H GLU B 104 21.273 6.385 15.224 1.00 0.00 H new ATOM 0 HA GLU B 104 18.776 5.608 16.354 1.00 0.00 H new ATOM 0 HB2 GLU B 104 19.745 8.244 15.168 1.00 0.00 H new ATOM 0 HB3 GLU B 104 18.387 8.046 16.257 1.00 0.00 H new ATOM 0 HG2 GLU B 104 19.789 7.477 18.108 1.00 0.00 H new ATOM 0 HG3 GLU B 104 21.153 7.093 17.077 1.00 0.00 H new ATOM 1868 N VAL B 105 18.772 6.485 13.158 1.00 0.00 N ATOM 1869 CA VAL B 105 17.967 6.354 11.955 1.00 0.00 C ATOM 1870 C VAL B 105 17.717 4.874 11.662 1.00 0.00 C ATOM 1871 O VAL B 105 16.572 4.507 11.434 1.00 0.00 O ATOM 1872 CB VAL B 105 18.530 7.146 10.764 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.699 8.629 11.122 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.867 6.602 10.276 1.00 0.00 C ATOM 0 H VAL B 105 19.696 6.892 13.015 1.00 0.00 H new ATOM 0 HA VAL B 105 16.997 6.819 12.133 1.00 0.00 H new ATOM 0 HB VAL B 105 17.803 7.036 9.959 1.00 0.00 H new ATOM 0 HG11 VAL B 105 19.099 9.167 10.263 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.731 9.050 11.396 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.387 8.724 11.962 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.217 7.199 9.434 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.597 6.651 11.084 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.745 5.566 9.960 1.00 0.00 H new ATOM 1884 N LEU B 106 18.725 3.994 11.753 1.00 0.00 N ATOM 1885 CA LEU B 106 18.442 2.578 11.517 1.00 0.00 C ATOM 1886 C LEU B 106 17.451 2.009 12.542 1.00 0.00 C ATOM 1887 O LEU B 106 16.520 1.303 12.158 1.00 0.00 O ATOM 1888 CB LEU B 106 19.707 1.731 11.287 1.00 0.00 C ATOM 1889 CG LEU B 106 20.520 1.329 12.527 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.008 0.066 13.235 1.00 0.00 C ATOM 1891 CD2 LEU B 106 21.986 1.097 12.139 1.00 0.00 C ATOM 0 H LEU B 106 19.694 4.223 11.976 1.00 0.00 H new ATOM 0 HA LEU B 106 17.922 2.512 10.561 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.413 0.820 10.766 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.365 2.283 10.616 1.00 0.00 H new ATOM 0 HG LEU B 106 20.412 2.159 13.225 1.00 0.00 H new ATOM 0 HD11 LEU B 106 20.637 -0.147 14.099 1.00 0.00 H new ATOM 0 HD12 LEU B 106 18.981 0.225 13.565 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.041 -0.777 12.545 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.556 0.812 13.024 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.044 0.300 11.398 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.401 2.014 11.720 1.00 0.00 H new ATOM 1903 N ASN B 107 17.585 2.347 13.831 1.00 0.00 N ATOM 1904 CA ASN B 107 16.642 1.860 14.838 1.00 0.00 C ATOM 1905 C ASN B 107 15.223 2.355 14.538 1.00 0.00 C ATOM 1906 O ASN B 107 14.281 1.564 14.437 1.00 0.00 O ATOM 1907 CB ASN B 107 17.038 2.355 16.242 1.00 0.00 C ATOM 1908 CG ASN B 107 18.381 1.863 16.765 1.00 0.00 C ATOM 1909 OD1 ASN B 107 18.861 0.791 16.420 1.00 0.00 O ATOM 1910 ND2 ASN B 107 18.994 2.644 17.641 1.00 0.00 N ATOM 0 H ASN B 107 18.326 2.946 14.194 1.00 0.00 H new ATOM 0 HA ASN B 107 16.669 0.771 14.808 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.051 3.445 16.232 1.00 0.00 H new ATOM 0 HB3 ASN B 107 16.263 2.052 16.945 1.00 0.00 H new ATOM 0 HD21 ASN B 107 19.886 2.357 18.044 1.00 0.00 H new ATOM 0 HD22 ASN B 107 18.574 3.533 17.913 1.00 0.00 H new ATOM 1917 N TYR B 108 15.061 3.672 14.414 1.00 0.00 N ATOM 1918 CA TYR B 108 13.766 4.288 14.177 1.00 0.00 C ATOM 1919 C TYR B 108 13.144 3.775 12.871 1.00 0.00 C ATOM 1920 O TYR B 108 12.035 3.247 12.890 1.00 0.00 O ATOM 1921 CB TYR B 108 13.905 5.815 14.231 1.00 0.00 C ATOM 1922 CG TYR B 108 12.601 6.592 14.156 1.00 0.00 C ATOM 1923 CD1 TYR B 108 11.507 6.236 14.968 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.508 7.731 13.336 1.00 0.00 C ATOM 1925 CE1 TYR B 108 10.305 6.957 14.882 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.293 8.429 13.226 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.190 8.034 13.993 1.00 0.00 C ATOM 1928 OH TYR B 108 8.992 8.664 13.886 1.00 0.00 O ATOM 0 H TYR B 108 15.830 4.339 14.476 1.00 0.00 H new ATOM 0 HA TYR B 108 13.070 4.001 14.965 1.00 0.00 H new ATOM 0 HB2 TYR B 108 14.416 6.084 15.156 1.00 0.00 H new ATOM 0 HB3 TYR B 108 14.546 6.134 13.409 1.00 0.00 H new ATOM 0 HD1 TYR B 108 11.592 5.409 15.657 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.374 8.071 12.788 1.00 0.00 H new ATOM 0 HE1 TYR B 108 9.466 6.680 15.503 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.210 9.268 12.551 1.00 0.00 H new ATOM 0 HH TYR B 108 8.939 9.121 13.021 1.00 0.00 H new ATOM 1938 N ILE B 109 13.874 3.833 11.755 1.00 0.00 N ATOM 1939 CA ILE B 109 13.419 3.282 10.481 1.00 0.00 C ATOM 1940 C ILE B 109 12.983 1.822 10.625 1.00 0.00 C ATOM 1941 O ILE B 109 11.874 1.471 10.241 1.00 0.00 O ATOM 1942 CB ILE B 109 14.515 3.381 9.397 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.810 4.836 9.015 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.119 2.610 8.129 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.110 4.965 8.219 1.00 0.00 C ATOM 0 H ILE B 109 14.797 4.264 11.711 1.00 0.00 H new ATOM 0 HA ILE B 109 12.561 3.879 10.173 1.00 0.00 H new ATOM 0 HB ILE B 109 15.412 2.937 9.829 1.00 0.00 H new ATOM 0 HG12 ILE B 109 13.983 5.231 8.426 1.00 0.00 H new ATOM 0 HG13 ILE B 109 14.876 5.442 9.918 1.00 0.00 H new ATOM 0 HG21 ILE B 109 14.912 2.700 7.386 1.00 0.00 H new ATOM 0 HG22 ILE B 109 13.969 1.559 8.374 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.195 3.024 7.725 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.281 6.012 7.969 1.00 0.00 H new ATOM 0 HD12 ILE B 109 16.942 4.595 8.818 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.035 4.380 7.302 1.00 0.00 H new ATOM 1957 N GLU B 110 13.832 0.929 11.140 1.00 0.00 N ATOM 1958 CA GLU B 110 13.504 -0.494 11.212 1.00 0.00 C ATOM 1959 C GLU B 110 12.348 -0.805 12.189 1.00 0.00 C ATOM 1960 O GLU B 110 11.517 -1.686 11.925 1.00 0.00 O ATOM 1961 CB GLU B 110 14.791 -1.318 11.376 1.00 0.00 C ATOM 1962 CG GLU B 110 15.432 -1.367 9.968 1.00 0.00 C ATOM 1963 CD GLU B 110 16.854 -1.878 9.916 1.00 0.00 C ATOM 1964 OE1 GLU B 110 17.081 -3.064 10.234 1.00 0.00 O ATOM 1965 OE2 GLU B 110 17.726 -1.099 9.480 1.00 0.00 O ATOM 0 H GLU B 110 14.751 1.168 11.513 1.00 0.00 H new ATOM 0 HA GLU B 110 13.073 -0.818 10.265 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.464 -0.855 12.098 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.571 -2.321 11.742 1.00 0.00 H new ATOM 0 HG2 GLU B 110 14.814 -1.998 9.329 1.00 0.00 H new ATOM 0 HG3 GLU B 110 15.410 -0.364 9.543 1.00 0.00 H new ATOM 1972 N THR B 111 12.207 -0.007 13.249 1.00 0.00 N ATOM 1973 CA THR B 111 10.995 0.021 14.074 1.00 0.00 C ATOM 1974 C THR B 111 9.759 0.415 13.252 1.00 0.00 C ATOM 1975 O THR B 111 8.834 -0.384 13.106 1.00 0.00 O ATOM 1976 CB THR B 111 11.183 0.939 15.293 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.279 0.477 16.050 1.00 0.00 O ATOM 1978 CG2 THR B 111 9.966 0.914 16.218 1.00 0.00 C ATOM 0 H THR B 111 12.931 0.640 13.561 1.00 0.00 H new ATOM 0 HA THR B 111 10.821 -0.990 14.443 1.00 0.00 H new ATOM 0 HB THR B 111 11.335 1.951 14.918 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.114 0.754 15.619 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.140 1.576 17.066 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.086 1.250 15.670 1.00 0.00 H new ATOM 0 HG23 THR B 111 9.803 -0.102 16.578 1.00 0.00 H new ATOM 1986 N GLN B 112 9.743 1.608 12.649 1.00 0.00 N ATOM 1987 CA GLN B 112 8.639 2.093 11.821 1.00 0.00 C ATOM 1988 C GLN B 112 8.306 1.129 10.664 1.00 0.00 C ATOM 1989 O GLN B 112 7.157 0.923 10.291 1.00 0.00 O ATOM 1990 CB GLN B 112 9.023 3.450 11.238 1.00 0.00 C ATOM 1991 CG GLN B 112 9.165 4.608 12.228 1.00 0.00 C ATOM 1992 CD GLN B 112 9.537 5.882 11.479 1.00 0.00 C ATOM 1993 OE1 GLN B 112 10.543 5.928 10.787 1.00 0.00 O ATOM 1994 NE2 GLN B 112 8.701 6.897 11.567 1.00 0.00 N ATOM 0 H GLN B 112 10.512 2.274 12.725 1.00 0.00 H new ATOM 0 HA GLN B 112 7.755 2.168 12.454 1.00 0.00 H new ATOM 0 HB2 GLN B 112 9.969 3.337 10.708 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.273 3.726 10.497 1.00 0.00 H new ATOM 0 HG2 GLN B 112 8.230 4.753 12.769 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.929 4.374 12.969 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.870 6.824 12.154 1.00 0.00 H new ATOM 0 HE22 GLN B 112 8.885 7.755 11.048 1.00 0.00 H new ATOM 2003 N ARG B 113 9.324 0.514 10.074 1.00 0.00 N ATOM 2004 CA ARG B 113 9.223 -0.484 9.019 1.00 0.00 C ATOM 2005 C ARG B 113 8.614 -1.797 9.544 1.00 0.00 C ATOM 2006 O ARG B 113 8.002 -2.562 8.803 1.00 0.00 O ATOM 2007 CB ARG B 113 10.630 -0.676 8.455 1.00 0.00 C ATOM 2008 CG ARG B 113 10.712 -1.544 7.202 1.00 0.00 C ATOM 2009 CD ARG B 113 12.168 -1.504 6.723 1.00 0.00 C ATOM 2010 NE ARG B 113 12.386 -2.374 5.552 1.00 0.00 N ATOM 2011 CZ ARG B 113 12.053 -2.136 4.287 1.00 0.00 C ATOM 2012 NH1 ARG B 113 11.461 -1.015 3.959 1.00 0.00 N ATOM 2013 NH2 ARG B 113 12.314 -3.019 3.350 1.00 0.00 N ATOM 0 H ARG B 113 10.291 0.709 10.333 1.00 0.00 H new ATOM 0 HA ARG B 113 8.549 -0.152 8.229 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.050 0.304 8.228 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.257 -1.121 9.228 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.406 -2.567 7.421 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.041 -1.169 6.429 1.00 0.00 H new ATOM 0 HD2 ARG B 113 12.439 -0.479 6.469 1.00 0.00 H new ATOM 0 HD3 ARG B 113 12.826 -1.816 7.534 1.00 0.00 H new ATOM 0 HE ARG B 113 12.848 -3.265 5.735 1.00 0.00 H new ATOM 0 HH11 ARG B 113 11.253 -0.319 4.675 1.00 0.00 H new ATOM 0 HH12 ARG B 113 11.208 -0.837 2.987 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.776 -3.896 3.590 1.00 0.00 H new ATOM 0 HH22 ARG B 113 12.055 -2.827 2.382 1.00 0.00 H new ATOM 2027 N THR B 114 8.786 -2.094 10.831 1.00 0.00 N ATOM 2028 CA THR B 114 8.092 -3.190 11.510 1.00 0.00 C ATOM 2029 C THR B 114 6.648 -2.839 11.894 1.00 0.00 C ATOM 2030 O THR B 114 5.757 -3.662 11.684 1.00 0.00 O ATOM 2031 CB THR B 114 8.966 -3.745 12.637 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.119 -4.273 12.002 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.287 -4.877 13.408 1.00 0.00 C ATOM 0 H THR B 114 9.419 -1.575 11.440 1.00 0.00 H new ATOM 0 HA THR B 114 7.952 -4.013 10.809 1.00 0.00 H new ATOM 0 HB THR B 114 9.180 -2.953 13.355 1.00 0.00 H new ATOM 0 HG1 THR B 114 10.771 -3.556 11.859 1.00 0.00 H new ATOM 0 HG21 THR B 114 8.953 -5.232 14.195 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.362 -4.510 13.853 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.061 -5.697 12.726 1.00 0.00 H new ATOM 2041 N TYR B 115 6.378 -1.602 12.313 1.00 0.00 N ATOM 2042 CA TYR B 115 5.020 -1.049 12.283 1.00 0.00 C ATOM 2043 C TYR B 115 4.361 -1.265 10.905 1.00 0.00 C ATOM 2044 O TYR B 115 3.374 -1.989 10.806 1.00 0.00 O ATOM 2045 CB TYR B 115 5.046 0.421 12.734 1.00 0.00 C ATOM 2046 CG TYR B 115 3.835 1.241 12.331 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.678 1.209 13.128 1.00 0.00 C ATOM 2048 CD2 TYR B 115 3.848 2.010 11.148 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.527 1.898 12.716 1.00 0.00 C ATOM 2050 CE2 TYR B 115 2.679 2.667 10.721 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.513 2.588 11.495 1.00 0.00 C ATOM 2052 OH TYR B 115 0.324 3.000 10.985 1.00 0.00 O ATOM 0 H TYR B 115 7.083 -0.961 12.678 1.00 0.00 H new ATOM 0 HA TYR B 115 4.389 -1.586 12.992 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.140 0.450 13.820 1.00 0.00 H new ATOM 0 HB3 TYR B 115 5.938 0.894 12.324 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.675 0.655 14.055 1.00 0.00 H new ATOM 0 HD2 TYR B 115 4.756 2.094 10.570 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.647 1.897 13.342 1.00 0.00 H new ATOM 0 HE2 TYR B 115 2.680 3.230 9.800 1.00 0.00 H new ATOM 0 HH TYR B 115 -0.391 2.411 11.304 1.00 0.00 H new ATOM 2062 N TRP B 116 4.946 -0.743 9.824 1.00 0.00 N ATOM 2063 CA TRP B 116 4.476 -0.968 8.457 1.00 0.00 C ATOM 2064 C TRP B 116 4.269 -2.452 8.127 1.00 0.00 C ATOM 2065 O TRP B 116 3.217 -2.846 7.615 1.00 0.00 O ATOM 2066 CB TRP B 116 5.420 -0.292 7.450 1.00 0.00 C ATOM 2067 CG TRP B 116 5.222 1.185 7.322 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.138 2.158 7.524 1.00 0.00 C ATOM 2069 CD2 TRP B 116 4.002 1.869 6.925 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.544 3.394 7.365 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.223 3.275 6.994 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.727 1.433 6.508 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.215 4.201 6.695 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.746 2.360 6.130 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.996 3.737 6.194 1.00 0.00 C ATOM 0 H TRP B 116 5.770 -0.144 9.876 1.00 0.00 H new ATOM 0 HA TRP B 116 3.491 -0.508 8.378 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.450 -0.485 7.749 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.280 -0.752 6.472 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.176 1.994 7.772 1.00 0.00 H new ATOM 0 HE1 TRP B 116 6.023 4.284 7.505 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.505 0.376 6.480 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.378 5.257 6.849 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.785 2.008 5.785 1.00 0.00 H new ATOM 0 HH2 TRP B 116 1.248 4.439 5.857 1.00 0.00 H new ATOM 2086 N LYS B 117 5.241 -3.307 8.446 1.00 0.00 N ATOM 2087 CA LYS B 117 5.091 -4.753 8.301 1.00 0.00 C ATOM 2088 C LYS B 117 3.787 -5.261 8.951 1.00 0.00 C ATOM 2089 O LYS B 117 3.009 -5.956 8.299 1.00 0.00 O ATOM 2090 CB LYS B 117 6.353 -5.437 8.864 1.00 0.00 C ATOM 2091 CG LYS B 117 6.451 -6.941 8.591 1.00 0.00 C ATOM 2092 CD LYS B 117 7.870 -7.525 8.749 1.00 0.00 C ATOM 2093 CE LYS B 117 8.633 -7.143 10.033 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.449 -5.911 9.879 1.00 0.00 N ATOM 0 H LYS B 117 6.149 -3.018 8.810 1.00 0.00 H new ATOM 0 HA LYS B 117 5.000 -5.011 7.246 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.231 -4.949 8.442 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.385 -5.276 9.942 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.778 -7.466 9.269 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.101 -7.138 7.578 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.798 -8.612 8.706 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.466 -7.210 7.892 1.00 0.00 H new ATOM 0 HE2 LYS B 117 7.919 -7.000 10.844 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.283 -7.969 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 9.745 -5.571 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.291 -6.122 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 8.884 -5.177 9.407 1.00 0.00 H new ATOM 2108 N LEU B 118 3.519 -4.872 10.202 1.00 0.00 N ATOM 2109 CA LEU B 118 2.286 -5.219 10.911 1.00 0.00 C ATOM 2110 C LEU B 118 1.025 -4.576 10.300 1.00 0.00 C ATOM 2111 O LEU B 118 0.021 -5.257 10.105 1.00 0.00 O ATOM 2112 CB LEU B 118 2.435 -4.899 12.405 1.00 0.00 C ATOM 2113 CG LEU B 118 3.413 -5.861 13.105 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.900 -5.223 14.412 1.00 0.00 C ATOM 2115 CD2 LEU B 118 2.746 -7.204 13.429 1.00 0.00 C ATOM 0 H LEU B 118 4.159 -4.302 10.755 1.00 0.00 H new ATOM 0 HA LEU B 118 2.135 -6.292 10.796 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.787 -3.874 12.523 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.460 -4.959 12.888 1.00 0.00 H new ATOM 0 HG LEU B 118 4.248 -6.044 12.429 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.593 -5.900 14.911 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.407 -4.283 14.192 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.047 -5.031 15.063 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.465 -7.858 13.922 1.00 0.00 H new ATOM 0 HD22 LEU B 118 1.895 -7.038 14.089 1.00 0.00 H new ATOM 0 HD23 LEU B 118 2.403 -7.672 12.506 1.00 0.00 H new ATOM 2127 N GLU B 119 1.044 -3.293 9.933 1.00 0.00 N ATOM 2128 CA GLU B 119 -0.033 -2.673 9.151 1.00 0.00 C ATOM 2129 C GLU B 119 -0.372 -3.505 7.906 1.00 0.00 C ATOM 2130 O GLU B 119 -1.529 -3.685 7.535 1.00 0.00 O ATOM 2131 CB GLU B 119 0.361 -1.250 8.722 1.00 0.00 C ATOM 2132 CG GLU B 119 0.419 -0.243 9.879 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.929 0.077 10.495 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.969 -0.361 9.959 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -0.948 0.687 11.583 1.00 0.00 O ATOM 0 H GLU B 119 1.804 -2.654 10.168 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.915 -2.629 9.790 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.336 -1.285 8.235 1.00 0.00 H new ATOM 0 HB3 GLU B 119 -0.354 -0.894 7.980 1.00 0.00 H new ATOM 0 HG2 GLU B 119 1.076 -0.636 10.655 1.00 0.00 H new ATOM 0 HG3 GLU B 119 0.869 0.682 9.518 1.00 0.00 H new ATOM 2142 N ASN B 120 0.643 -4.042 7.236 1.00 0.00 N ATOM 2143 CA ASN B 120 0.485 -4.897 6.063 1.00 0.00 C ATOM 2144 C ASN B 120 0.153 -6.363 6.423 1.00 0.00 C ATOM 2145 O ASN B 120 0.205 -7.248 5.566 1.00 0.00 O ATOM 2146 CB ASN B 120 1.734 -4.742 5.188 1.00 0.00 C ATOM 2147 CG ASN B 120 1.764 -3.403 4.454 1.00 0.00 C ATOM 2148 OD1 ASN B 120 1.456 -3.321 3.280 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.087 -2.307 5.105 1.00 0.00 N ATOM 0 H ASN B 120 1.617 -3.892 7.498 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.385 -4.575 5.491 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.624 -4.833 5.810 1.00 0.00 H new ATOM 0 HB3 ASN B 120 1.769 -5.553 4.461 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.077 -1.407 4.625 1.00 0.00 H new ATOM 0 HD22 ASN B 120 2.348 -2.357 6.090 1.00 0.00 H new ATOM 2156 N GLN B 121 -0.223 -6.616 7.678 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.576 -7.921 8.252 1.00 0.00 C ATOM 2158 C GLN B 121 -1.971 -7.943 8.929 1.00 0.00 C ATOM 2159 O GLN B 121 -2.563 -9.006 9.079 1.00 0.00 O ATOM 2160 CB GLN B 121 0.539 -8.273 9.246 1.00 0.00 C ATOM 2161 CG GLN B 121 0.704 -9.769 9.537 1.00 0.00 C ATOM 2162 CD GLN B 121 2.059 -10.010 10.192 1.00 0.00 C ATOM 2163 OE1 GLN B 121 3.079 -10.038 9.516 1.00 0.00 O ATOM 2164 NE2 GLN B 121 2.110 -10.132 11.507 1.00 0.00 N ATOM 0 H GLN B 121 -0.294 -5.868 8.367 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.653 -8.661 7.456 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.483 -7.888 8.860 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.343 -7.756 10.185 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.096 -10.114 10.192 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.627 -10.341 8.613 1.00 0.00 H new ATOM 0 HE21 GLN B 121 1.250 -10.106 12.055 1.00 0.00 H new ATOM 0 HE22 GLN B 121 3.009 -10.252 11.974 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.497 -6.788 9.356 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.804 -6.651 10.015 1.00 0.00 C ATOM 2175 C LYS B 122 -5.024 -7.128 9.177 1.00 0.00 C ATOM 2176 O LYS B 122 -4.973 -7.228 7.955 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.998 -5.172 10.385 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.092 -4.629 11.500 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.411 -3.133 11.637 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.459 -2.347 12.547 1.00 0.00 C ATOM 2181 NZ LYS B 122 -2.776 -0.903 12.467 1.00 0.00 N ATOM 0 H LYS B 122 -2.012 -5.897 9.250 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.779 -7.307 10.885 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.838 -4.571 9.490 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -5.036 -5.027 10.685 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.277 -5.152 12.438 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.041 -4.780 11.253 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.396 -2.682 10.645 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.426 -3.027 12.020 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -2.554 -2.694 13.576 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.426 -2.520 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -1.914 -0.348 12.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.143 -0.680 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.494 -0.665 13.181 1.00 0.00 H new ATOM 2195 N LYS B 123 -6.163 -7.348 9.850 1.00 0.00 N ATOM 2196 CA LYS B 123 -7.426 -7.831 9.267 1.00 0.00 C ATOM 2197 C LYS B 123 -8.257 -6.770 8.498 1.00 0.00 C ATOM 2198 O LYS B 123 -8.756 -5.823 9.110 1.00 0.00 O ATOM 2199 CB LYS B 123 -8.260 -8.511 10.379 1.00 0.00 C ATOM 2200 CG LYS B 123 -9.240 -7.636 11.195 1.00 0.00 C ATOM 2201 CD LYS B 123 -8.590 -6.487 11.999 1.00 0.00 C ATOM 2202 CE LYS B 123 -9.606 -5.390 12.366 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.666 -4.319 11.343 1.00 0.00 N ATOM 0 H LYS B 123 -6.234 -7.188 10.855 1.00 0.00 H new ATOM 0 HA LYS B 123 -7.155 -8.548 8.492 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.835 -9.315 9.920 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.566 -8.975 11.079 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -9.974 -7.209 10.512 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -9.784 -8.279 11.887 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -8.146 -6.889 12.910 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -7.780 -6.050 11.415 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -10.594 -5.836 12.481 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.338 -4.956 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -10.627 -3.922 11.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.989 -3.568 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -9.424 -4.714 10.412 1.00 0.00 H new ATOM 2217 N LEU B 124 -8.472 -6.927 7.186 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.458 -6.139 6.421 1.00 0.00 C ATOM 2219 C LEU B 124 -10.755 -6.942 6.219 1.00 0.00 C ATOM 2220 O LEU B 124 -10.765 -7.971 5.543 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.850 -5.654 5.093 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.524 -4.436 4.430 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -10.949 -4.581 3.914 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -9.583 -3.232 5.342 1.00 0.00 C ATOM 0 H LEU B 124 -7.966 -7.607 6.618 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.723 -5.249 6.993 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -7.802 -5.411 5.267 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.872 -6.483 4.385 1.00 0.00 H new ATOM 0 HG LEU B 124 -8.860 -4.327 3.573 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.276 -3.637 3.478 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -10.983 -5.363 3.155 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -11.610 -4.847 4.739 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -10.067 -2.405 4.822 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -10.152 -3.481 6.237 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -8.572 -2.940 5.625 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.846 -6.493 6.841 1.00 0.00 N ATOM 2237 CA TYR B 125 -13.120 -7.219 6.948 1.00 0.00 C ATOM 2238 C TYR B 125 -14.122 -6.963 5.797 1.00 0.00 C ATOM 2239 O TYR B 125 -15.308 -7.249 5.926 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.712 -6.962 8.348 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.639 -5.536 8.878 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -13.876 -4.432 8.034 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.331 -5.315 10.237 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -13.736 -3.127 8.532 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.245 -4.006 10.744 1.00 0.00 C ATOM 2246 CZ TYR B 125 -13.471 -2.915 9.890 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.436 -1.647 10.369 1.00 0.00 O ATOM 0 H TYR B 125 -11.872 -5.583 7.301 1.00 0.00 H new ATOM 0 HA TYR B 125 -12.908 -8.282 6.830 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.759 -7.265 8.334 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.201 -7.614 9.057 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.165 -4.590 7.005 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.160 -6.156 10.892 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -13.833 -2.283 7.865 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.006 -3.841 11.784 1.00 0.00 H new ATOM 0 HH TYR B 125 -13.241 -1.665 11.329 1.00 0.00 H new ATOM 2257 N ARG B 126 -13.651 -6.449 4.656 1.00 0.00 N ATOM 2258 CA ARG B 126 -14.376 -6.316 3.380 1.00 0.00 C ATOM 2259 C ARG B 126 -15.554 -5.327 3.316 1.00 0.00 C ATOM 2260 O ARG B 126 -15.820 -4.784 2.249 1.00 0.00 O ATOM 2261 CB ARG B 126 -14.861 -7.683 2.873 1.00 0.00 C ATOM 2262 CG ARG B 126 -13.819 -8.803 2.912 1.00 0.00 C ATOM 2263 CD ARG B 126 -12.567 -8.491 2.077 1.00 0.00 C ATOM 2264 NE ARG B 126 -11.356 -8.547 2.917 1.00 0.00 N ATOM 2265 CZ ARG B 126 -10.093 -8.352 2.538 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -9.799 -7.814 1.376 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -9.128 -8.689 3.363 1.00 0.00 N ATOM 0 H ARG B 126 -12.698 -6.093 4.591 1.00 0.00 H new ATOM 0 HA ARG B 126 -13.612 -5.878 2.738 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -15.721 -7.989 3.469 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -15.209 -7.569 1.846 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -13.524 -8.981 3.946 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -14.271 -9.725 2.547 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -12.482 -9.206 1.258 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -12.660 -7.502 1.628 1.00 0.00 H new ATOM 0 HE ARG B 126 -11.502 -8.760 3.904 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -10.546 -7.535 0.740 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -8.824 -7.676 1.110 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -9.352 -9.091 4.273 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -8.154 -8.549 3.093 1.00 0.00 H new