USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 969 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 66 GLN : amide:sc= 0.256 K(o=0.44,f=-0.97) USER MOD Set 1.2: B 59 ASN : amide:sc= 0.185 K(o=0.44,f=-2) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc=0.000778 USER MOD Set 2.2: B 48 SER OG : rot -93:sc= 1.23 USER MOD Set 3.1: B 39 ASN : amide:sc= 0 K(o=-0.016,f=-0.53) USER MOD Set 3.2: B 43 ASN : amide:sc= -0.0161 K(o=-0.016,f=-1.1) USER MOD Set 4.1: A 26 HIS : no HD1:sc= -0.379 K(o=-2,f=1.5) USER MOD Set 4.2: B 14 GLN : amide:sc= -1.57 K(o=-2,f=1.5) USER MOD Set 5.1: A 55 GLN : amide:sc= -1.7! C(o=-0.12!,f=-5.2!) USER MOD Set 5.2: A 59 ASN : amide:sc= 0.746 K(o=-0.12,f=-4.4!) USER MOD Set 5.3: B 66 GLN : amide:sc= 0.835 K(o=-0.12,f=-2) USER MOD Set 6.1: A 43 ASN : amide:sc= 0 K(o=-0.11,f=-0.84) USER MOD Set 6.2: A 46 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.3!) USER MOD Set 7.1: A 14 GLN : amide:sc= -1.49 K(o=-1.3,f=-1.9) USER MOD Set 7.2: B 26 HIS : no HD1:sc= 0.142 K(o=-1.3,f=-5.8!) USER MOD Single : A 11 GLN : amide:sc= -0.715 K(o=-0.72,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.04 (180deg=0.921) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 158:sc= -0.197 (180deg=-0.744) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 40 MET CE :methyl 174:sc= 0 (180deg=-0.0359) USER MOD Single : A 42 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 47 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 48 SER OG : rot 85:sc= 1.18 USER MOD Single : A 53 GLN : amide:sc= -4.48! C(o=-4.5!,f=-3.2!) USER MOD Single : A 60 SER OG : rot 78:sc= 1.22 USER MOD Single : A 67 SER OG : rot 88:sc= 1.2 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 21 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 25 LYS NZ :NH3+ -169:sc= 1.15 (180deg=0.809) USER MOD Single : B 27 LYS NZ :NH3+ -173:sc= 1.11 (180deg=0.996) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 70:sc= 1.05 USER MOD Single : B 35 MET CE :methyl -160:sc= -0.171 (180deg=-0.71) USER MOD Single : B 40 MET CE :methyl 155:sc= 0 (180deg=-0.203) USER MOD Single : B 42 THR OG1 : rot 79:sc= 1.24 USER MOD Single : B 46 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : B 47 THR OG1 : rot -41:sc= 0.648 USER MOD Single : B 53 GLN : amide:sc= -0.552 K(o=-0.55,f=-4.5!) USER MOD Single : B 55 GLN : amide:sc= -4.52! K(o=-4.5!,f=-0.62) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 72:sc= 1.24 USER MOD Single : B 68 SER OG : rot 88:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -11.886 9.144 14.249 1.00 0.00 N ATOM 138 CA ASP A 9 -12.310 8.647 12.945 1.00 0.00 C ATOM 139 C ASP A 9 -12.533 9.793 11.964 1.00 0.00 C ATOM 140 O ASP A 9 -12.274 9.647 10.773 1.00 0.00 O ATOM 141 CB ASP A 9 -13.575 7.786 13.069 1.00 0.00 C ATOM 142 CG ASP A 9 -14.832 8.589 13.342 1.00 0.00 C ATOM 143 OD1 ASP A 9 -14.896 9.283 14.379 1.00 0.00 O ATOM 144 OD2 ASP A 9 -15.765 8.533 12.521 1.00 0.00 O ATOM 0 HA ASP A 9 -11.509 8.020 12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.710 7.218 12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.435 7.062 13.872 1.00 0.00 H new ATOM 149 N GLU A 10 -12.986 10.938 12.467 1.00 0.00 N ATOM 150 CA GLU A 10 -13.181 12.114 11.622 1.00 0.00 C ATOM 151 C GLU A 10 -11.863 12.585 11.023 1.00 0.00 C ATOM 152 O GLU A 10 -11.816 13.026 9.876 1.00 0.00 O ATOM 153 CB GLU A 10 -13.829 13.251 12.410 1.00 0.00 C ATOM 154 CG GLU A 10 -15.321 13.072 12.606 1.00 0.00 C ATOM 155 CD GLU A 10 -16.063 12.971 11.289 1.00 0.00 C ATOM 156 OE1 GLU A 10 -16.049 13.956 10.520 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.646 11.902 11.006 1.00 0.00 O ATOM 0 H GLU A 10 -13.224 11.077 13.449 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.848 11.825 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.348 13.328 13.385 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.648 14.192 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.503 12.172 13.194 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.714 13.912 13.179 1.00 0.00 H new ATOM 164 N GLN A 11 -10.796 12.484 11.801 1.00 0.00 N ATOM 165 CA GLN A 11 -9.473 12.858 11.329 1.00 0.00 C ATOM 166 C GLN A 11 -9.027 11.902 10.230 1.00 0.00 C ATOM 167 O GLN A 11 -8.449 12.321 9.226 1.00 0.00 O ATOM 168 CB GLN A 11 -8.474 12.850 12.486 1.00 0.00 C ATOM 169 CG GLN A 11 -7.055 13.215 12.076 1.00 0.00 C ATOM 170 CD GLN A 11 -6.116 13.355 13.260 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.154 14.123 13.214 1.00 0.00 O ATOM 172 NE2 GLN A 11 -6.395 12.635 14.333 1.00 0.00 N ATOM 0 H GLN A 11 -10.821 12.146 12.763 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.514 13.868 10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.812 13.549 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.467 11.859 12.941 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.669 12.451 11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.073 14.152 11.520 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.201 12.010 14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.804 12.705 15.162 1.00 0.00 H new ATOM 181 N VAL A 12 -9.316 10.619 10.423 1.00 0.00 N ATOM 182 CA VAL A 12 -9.023 9.610 9.416 1.00 0.00 C ATOM 183 C VAL A 12 -9.827 9.883 8.149 1.00 0.00 C ATOM 184 O VAL A 12 -9.273 9.907 7.052 1.00 0.00 O ATOM 185 CB VAL A 12 -9.335 8.186 9.926 1.00 0.00 C ATOM 186 CG1 VAL A 12 -9.015 7.139 8.865 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.567 7.895 11.208 1.00 0.00 C ATOM 0 H VAL A 12 -9.753 10.255 11.269 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.957 9.667 9.197 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.402 8.135 10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.245 6.146 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.614 7.329 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.957 7.192 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.800 6.887 11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.497 7.975 11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.853 8.615 11.975 1.00 0.00 H new ATOM 197 N GLU A 13 -11.128 10.109 8.320 1.00 0.00 N ATOM 198 CA GLU A 13 -12.019 10.426 7.206 1.00 0.00 C ATOM 199 C GLU A 13 -11.524 11.647 6.441 1.00 0.00 C ATOM 200 O GLU A 13 -11.452 11.627 5.216 1.00 0.00 O ATOM 201 CB GLU A 13 -13.441 10.687 7.710 1.00 0.00 C ATOM 202 CG GLU A 13 -14.142 9.460 8.274 1.00 0.00 C ATOM 203 CD GLU A 13 -14.474 8.429 7.214 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.215 8.764 6.266 1.00 0.00 O ATOM 205 OE2 GLU A 13 -14.026 7.270 7.340 1.00 0.00 O ATOM 0 H GLU A 13 -11.592 10.078 9.228 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.026 9.567 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.405 11.457 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.037 11.086 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.507 9.002 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.061 9.770 8.772 1.00 0.00 H new ATOM 212 N GLN A 14 -11.181 12.704 7.173 1.00 0.00 N ATOM 213 CA GLN A 14 -10.727 13.949 6.563 1.00 0.00 C ATOM 214 C GLN A 14 -9.454 13.722 5.751 1.00 0.00 C ATOM 215 O GLN A 14 -9.343 14.180 4.615 1.00 0.00 O ATOM 216 CB GLN A 14 -10.480 15.013 7.636 1.00 0.00 C ATOM 217 CG GLN A 14 -10.225 16.402 7.071 1.00 0.00 C ATOM 218 CD GLN A 14 -9.843 17.414 8.136 1.00 0.00 C ATOM 219 OE1 GLN A 14 -9.108 18.364 7.869 1.00 0.00 O ATOM 220 NE2 GLN A 14 -10.338 17.227 9.350 1.00 0.00 N ATOM 0 H GLN A 14 -11.209 12.722 8.192 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.510 14.301 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.343 15.053 8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.625 14.714 8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.429 16.346 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.120 16.748 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.944 16.428 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.113 17.882 10.099 1.00 0.00 H new ATOM 229 N LEU A 15 -8.503 13.003 6.338 1.00 0.00 N ATOM 230 CA LEU A 15 -7.243 12.708 5.668 1.00 0.00 C ATOM 231 C LEU A 15 -7.478 11.818 4.450 1.00 0.00 C ATOM 232 O LEU A 15 -6.955 12.084 3.367 1.00 0.00 O ATOM 233 CB LEU A 15 -6.272 12.031 6.640 1.00 0.00 C ATOM 234 CG LEU A 15 -4.920 11.620 6.047 1.00 0.00 C ATOM 235 CD1 LEU A 15 -4.154 12.835 5.548 1.00 0.00 C ATOM 236 CD2 LEU A 15 -4.097 10.860 7.074 1.00 0.00 C ATOM 0 H LEU A 15 -8.582 12.614 7.277 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.804 13.647 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.091 12.708 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.755 11.143 7.048 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.109 10.964 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.198 12.517 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.735 13.340 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.979 13.520 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.140 10.576 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.924 11.495 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.636 9.964 7.381 1.00 0.00 H new ATOM 248 N LEU A 16 -8.274 10.774 4.640 1.00 0.00 N ATOM 249 CA LEU A 16 -8.601 9.839 3.568 1.00 0.00 C ATOM 250 C LEU A 16 -9.284 10.568 2.413 1.00 0.00 C ATOM 251 O LEU A 16 -8.994 10.314 1.241 1.00 0.00 O ATOM 252 CB LEU A 16 -9.518 8.734 4.103 1.00 0.00 C ATOM 253 CG LEU A 16 -9.850 7.614 3.113 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.598 6.830 2.755 1.00 0.00 C ATOM 255 CD2 LEU A 16 -10.912 6.690 3.693 1.00 0.00 C ATOM 0 H LEU A 16 -8.709 10.551 5.535 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.677 9.393 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.049 8.291 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.451 9.190 4.435 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.245 8.064 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.853 6.038 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.868 7.499 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.174 6.390 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.137 5.899 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.543 6.248 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.817 7.261 3.899 1.00 0.00 H new ATOM 267 N ALA A 17 -10.183 11.482 2.761 1.00 0.00 N ATOM 268 CA ALA A 17 -10.908 12.268 1.775 1.00 0.00 C ATOM 269 C ALA A 17 -9.954 13.099 0.929 1.00 0.00 C ATOM 270 O ALA A 17 -10.051 13.099 -0.295 1.00 0.00 O ATOM 271 CB ALA A 17 -11.932 13.167 2.456 1.00 0.00 C ATOM 0 H ALA A 17 -10.427 11.696 3.728 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.433 11.577 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.465 13.747 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.642 12.554 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.423 13.844 3.142 1.00 0.00 H new ATOM 277 N GLU A 18 -9.025 13.791 1.583 1.00 0.00 N ATOM 278 CA GLU A 18 -8.079 14.648 0.876 1.00 0.00 C ATOM 279 C GLU A 18 -7.153 13.834 -0.022 1.00 0.00 C ATOM 280 O GLU A 18 -6.875 14.235 -1.153 1.00 0.00 O ATOM 281 CB GLU A 18 -7.255 15.485 1.853 1.00 0.00 C ATOM 282 CG GLU A 18 -8.070 16.514 2.614 1.00 0.00 C ATOM 283 CD GLU A 18 -7.197 17.554 3.286 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.794 18.523 2.604 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.910 17.416 4.493 1.00 0.00 O ATOM 0 H GLU A 18 -8.907 13.775 2.596 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.663 15.320 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.769 14.820 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.464 15.995 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.759 17.008 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.676 16.010 3.367 1.00 0.00 H new ATOM 292 N LEU A 19 -6.685 12.693 0.475 1.00 0.00 N ATOM 293 CA LEU A 19 -5.805 11.824 -0.302 1.00 0.00 C ATOM 294 C LEU A 19 -6.481 11.390 -1.600 1.00 0.00 C ATOM 295 O LEU A 19 -5.929 11.557 -2.689 1.00 0.00 O ATOM 296 CB LEU A 19 -5.401 10.593 0.514 1.00 0.00 C ATOM 297 CG LEU A 19 -4.538 10.875 1.747 1.00 0.00 C ATOM 298 CD1 LEU A 19 -4.283 9.590 2.519 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.220 11.520 1.342 1.00 0.00 C ATOM 0 H LEU A 19 -6.900 12.348 1.411 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.907 12.391 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.306 10.078 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.860 9.908 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.076 11.569 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.668 9.806 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.233 9.164 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.764 8.877 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.621 11.713 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.676 10.850 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.418 12.460 0.827 1.00 0.00 H new ATOM 311 N LEU A 20 -7.689 10.854 -1.479 1.00 0.00 N ATOM 312 CA LEU A 20 -8.452 10.422 -2.642 1.00 0.00 C ATOM 313 C LEU A 20 -8.879 11.615 -3.493 1.00 0.00 C ATOM 314 O LEU A 20 -9.025 11.500 -4.709 1.00 0.00 O ATOM 315 CB LEU A 20 -9.677 9.618 -2.204 1.00 0.00 C ATOM 316 CG LEU A 20 -9.377 8.217 -1.670 1.00 0.00 C ATOM 317 CD1 LEU A 20 -10.638 7.578 -1.114 1.00 0.00 C ATOM 318 CD2 LEU A 20 -8.789 7.350 -2.772 1.00 0.00 C ATOM 0 H LEU A 20 -8.161 10.708 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.810 9.785 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.203 10.179 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.356 9.529 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.649 8.302 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.406 6.581 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.028 8.190 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.386 7.503 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.580 6.355 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.501 7.273 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.864 7.799 -3.134 1.00 0.00 H new ATOM 330 N ASN A 21 -9.072 12.760 -2.848 1.00 0.00 N ATOM 331 CA ASN A 21 -9.438 13.990 -3.548 1.00 0.00 C ATOM 332 C ASN A 21 -8.317 14.429 -4.483 1.00 0.00 C ATOM 333 O ASN A 21 -8.568 14.828 -5.618 1.00 0.00 O ATOM 334 CB ASN A 21 -9.773 15.100 -2.543 1.00 0.00 C ATOM 335 CG ASN A 21 -10.107 16.422 -3.205 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.242 16.653 -3.620 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.129 17.312 -3.282 1.00 0.00 N ATOM 0 H ASN A 21 -8.981 12.864 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.325 13.793 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.617 14.784 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.926 15.241 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.304 18.227 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.201 17.082 -2.926 1.00 0.00 H new ATOM 344 N VAL A 22 -7.078 14.339 -4.013 1.00 0.00 N ATOM 345 CA VAL A 22 -5.923 14.671 -4.841 1.00 0.00 C ATOM 346 C VAL A 22 -5.821 13.701 -6.015 1.00 0.00 C ATOM 347 O VAL A 22 -5.520 14.101 -7.144 1.00 0.00 O ATOM 348 CB VAL A 22 -4.612 14.645 -4.024 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.405 14.924 -4.907 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.676 15.652 -2.887 1.00 0.00 C ATOM 0 H VAL A 22 -6.847 14.040 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.066 15.684 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.499 13.645 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.498 14.899 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.342 14.166 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.509 15.908 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.745 15.621 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.820 16.653 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.509 15.405 -2.229 1.00 0.00 H new ATOM 360 N LEU A 23 -6.099 12.428 -5.746 1.00 0.00 N ATOM 361 CA LEU A 23 -6.097 11.404 -6.784 1.00 0.00 C ATOM 362 C LEU A 23 -7.229 11.639 -7.780 1.00 0.00 C ATOM 363 O LEU A 23 -7.148 11.222 -8.931 1.00 0.00 O ATOM 364 CB LEU A 23 -6.227 10.010 -6.163 1.00 0.00 C ATOM 365 CG LEU A 23 -5.068 9.592 -5.255 1.00 0.00 C ATOM 366 CD1 LEU A 23 -5.328 8.217 -4.655 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.756 9.598 -6.026 1.00 0.00 C ATOM 0 H LEU A 23 -6.329 12.081 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.148 11.466 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.152 9.971 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.321 9.279 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.992 10.314 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.493 7.937 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.245 8.244 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.432 7.484 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.944 9.298 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.821 8.899 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.562 10.601 -6.407 1.00 0.00 H new ATOM 379 N GLU A 24 -8.281 12.307 -7.327 1.00 0.00 N ATOM 380 CA GLU A 24 -9.403 12.662 -8.185 1.00 0.00 C ATOM 381 C GLU A 24 -9.054 13.870 -9.052 1.00 0.00 C ATOM 382 O GLU A 24 -9.199 13.828 -10.274 1.00 0.00 O ATOM 383 CB GLU A 24 -10.642 12.959 -7.330 1.00 0.00 C ATOM 384 CG GLU A 24 -11.829 13.506 -8.111 1.00 0.00 C ATOM 385 CD GLU A 24 -12.264 12.594 -9.239 1.00 0.00 C ATOM 386 OE1 GLU A 24 -12.637 11.436 -8.962 1.00 0.00 O ATOM 387 OE2 GLU A 24 -12.227 13.033 -10.410 1.00 0.00 O ATOM 0 H GLU A 24 -8.381 12.617 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.620 11.820 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.947 12.043 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.371 13.676 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.666 13.658 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.569 14.483 -8.520 1.00 0.00 H new ATOM 394 N LYS A 25 -8.578 14.934 -8.412 1.00 0.00 N ATOM 395 CA LYS A 25 -8.262 16.181 -9.109 1.00 0.00 C ATOM 396 C LYS A 25 -7.181 15.972 -10.163 1.00 0.00 C ATOM 397 O LYS A 25 -7.247 16.543 -11.250 1.00 0.00 O ATOM 398 CB LYS A 25 -7.819 17.257 -8.116 1.00 0.00 C ATOM 399 CG LYS A 25 -8.888 17.615 -7.095 1.00 0.00 C ATOM 400 CD LYS A 25 -8.473 18.792 -6.228 1.00 0.00 C ATOM 401 CE LYS A 25 -8.285 20.051 -7.056 1.00 0.00 C ATOM 402 NZ LYS A 25 -8.008 21.235 -6.206 1.00 0.00 N ATOM 0 H LYS A 25 -8.401 14.959 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.170 16.513 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.928 16.912 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.538 18.155 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.817 17.855 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.089 16.751 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.230 18.967 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.545 18.554 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.462 19.906 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.181 20.232 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.886 22.074 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.804 21.389 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.139 21.073 -5.658 1.00 0.00 H new ATOM 416 N HIS A 26 -6.185 15.162 -9.840 1.00 0.00 N ATOM 417 CA HIS A 26 -5.123 14.855 -10.793 1.00 0.00 C ATOM 418 C HIS A 26 -5.534 13.684 -11.678 1.00 0.00 C ATOM 419 O HIS A 26 -5.075 13.557 -12.810 1.00 0.00 O ATOM 420 CB HIS A 26 -3.814 14.533 -10.068 1.00 0.00 C ATOM 421 CG HIS A 26 -3.186 15.714 -9.390 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.112 16.396 -9.914 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.480 16.326 -8.218 1.00 0.00 C ATOM 424 CE1 HIS A 26 -1.770 17.373 -9.095 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.583 17.353 -8.061 1.00 0.00 N ATOM 0 H HIS A 26 -6.087 14.707 -8.933 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.961 15.734 -11.417 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.003 13.759 -9.325 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.105 14.120 -10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.272 16.056 -7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.960 18.071 -9.248 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.552 17.997 -7.270 1.00 0.00 H new ATOM 434 N LYS A 27 -6.412 12.848 -11.135 1.00 0.00 N ATOM 435 CA LYS A 27 -6.951 11.683 -11.831 1.00 0.00 C ATOM 436 C LYS A 27 -5.845 10.725 -12.267 1.00 0.00 C ATOM 437 O LYS A 27 -5.358 10.774 -13.399 1.00 0.00 O ATOM 438 CB LYS A 27 -7.818 12.108 -13.020 1.00 0.00 C ATOM 439 CG LYS A 27 -8.648 10.975 -13.602 1.00 0.00 C ATOM 440 CD LYS A 27 -9.814 11.506 -14.420 1.00 0.00 C ATOM 441 CE LYS A 27 -10.746 12.362 -13.572 1.00 0.00 C ATOM 442 NZ LYS A 27 -11.285 11.612 -12.403 1.00 0.00 N ATOM 0 H LYS A 27 -6.774 12.961 -10.188 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.585 11.144 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.484 12.911 -12.705 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.175 12.515 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.018 10.345 -14.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.024 10.346 -12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.436 12.096 -15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.371 10.672 -14.846 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.209 13.243 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.573 12.717 -14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.953 12.215 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.776 10.757 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.502 11.339 -11.775 1.00 0.00 H new ATOM 456 N ALA A 28 -5.449 9.862 -11.346 1.00 0.00 N ATOM 457 CA ALA A 28 -4.415 8.877 -11.610 1.00 0.00 C ATOM 458 C ALA A 28 -5.005 7.472 -11.588 1.00 0.00 C ATOM 459 O ALA A 28 -5.792 7.138 -10.701 1.00 0.00 O ATOM 460 CB ALA A 28 -3.291 9.003 -10.589 1.00 0.00 C ATOM 0 H ALA A 28 -5.832 9.825 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.001 9.061 -12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.523 8.258 -10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.855 10.000 -10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.689 8.840 -9.587 1.00 0.00 H new ATOM 466 N PRO A 29 -4.655 6.640 -12.581 1.00 0.00 N ATOM 467 CA PRO A 29 -5.134 5.256 -12.668 1.00 0.00 C ATOM 468 C PRO A 29 -4.608 4.386 -11.523 1.00 0.00 C ATOM 469 O PRO A 29 -3.617 4.733 -10.875 1.00 0.00 O ATOM 470 CB PRO A 29 -4.591 4.762 -14.017 1.00 0.00 C ATOM 471 CG PRO A 29 -4.184 5.990 -14.755 1.00 0.00 C ATOM 472 CD PRO A 29 -3.777 6.984 -13.707 1.00 0.00 C ATOM 0 HA PRO A 29 -6.220 5.199 -12.592 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.745 4.090 -13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.351 4.207 -14.567 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.359 5.781 -15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.007 6.374 -15.359 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.724 6.887 -13.444 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.929 8.010 -14.041 1.00 0.00 H new ATOM 480 N THR A 30 -5.271 3.253 -11.294 1.00 0.00 N ATOM 481 CA THR A 30 -4.952 2.364 -10.179 1.00 0.00 C ATOM 482 C THR A 30 -3.473 1.967 -10.166 1.00 0.00 C ATOM 483 O THR A 30 -2.807 2.074 -9.139 1.00 0.00 O ATOM 484 CB THR A 30 -5.816 1.088 -10.237 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.187 1.441 -10.457 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.699 0.289 -8.944 1.00 0.00 C ATOM 0 H THR A 30 -6.043 2.927 -11.875 1.00 0.00 H new ATOM 0 HA THR A 30 -5.168 2.916 -9.264 1.00 0.00 H new ATOM 0 HB THR A 30 -5.456 0.470 -11.060 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.732 0.628 -10.495 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.318 -0.606 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.660 -0.000 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.035 0.900 -8.107 1.00 0.00 H new ATOM 494 N ASP A 31 -2.965 1.527 -11.311 1.00 0.00 N ATOM 495 CA ASP A 31 -1.574 1.084 -11.420 1.00 0.00 C ATOM 496 C ASP A 31 -0.608 2.221 -11.091 1.00 0.00 C ATOM 497 O ASP A 31 0.327 2.047 -10.310 1.00 0.00 O ATOM 498 CB ASP A 31 -1.303 0.527 -12.822 1.00 0.00 C ATOM 499 CG ASP A 31 0.169 0.301 -13.104 1.00 0.00 C ATOM 500 OD1 ASP A 31 0.709 -0.745 -12.687 1.00 0.00 O ATOM 501 OD2 ASP A 31 0.784 1.161 -13.768 1.00 0.00 O ATOM 0 H ASP A 31 -3.494 1.466 -12.181 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.410 0.289 -10.693 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.837 -0.416 -12.940 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.706 1.217 -13.563 1.00 0.00 H new ATOM 506 N LEU A 32 -0.857 3.392 -11.667 1.00 0.00 N ATOM 507 CA LEU A 32 -0.039 4.568 -11.394 1.00 0.00 C ATOM 508 C LEU A 32 -0.131 4.960 -9.921 1.00 0.00 C ATOM 509 O LEU A 32 0.864 5.350 -9.308 1.00 0.00 O ATOM 510 CB LEU A 32 -0.475 5.742 -12.276 1.00 0.00 C ATOM 511 CG LEU A 32 0.284 7.052 -12.039 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.769 6.876 -12.326 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.299 8.166 -12.894 1.00 0.00 C ATOM 0 H LEU A 32 -1.619 3.552 -12.326 1.00 0.00 H new ATOM 0 HA LEU A 32 0.997 4.320 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.355 5.455 -13.321 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.538 5.922 -12.115 1.00 0.00 H new ATOM 0 HG LEU A 32 0.172 7.327 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.288 7.819 -12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.178 6.109 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.906 6.574 -13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.252 9.089 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.219 7.896 -13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.348 8.312 -12.635 1.00 0.00 H new ATOM 525 N SER A 33 -1.327 4.850 -9.356 1.00 0.00 N ATOM 526 CA SER A 33 -1.531 5.138 -7.945 1.00 0.00 C ATOM 527 C SER A 33 -0.715 4.171 -7.091 1.00 0.00 C ATOM 528 O SER A 33 -0.163 4.557 -6.063 1.00 0.00 O ATOM 529 CB SER A 33 -3.020 5.049 -7.585 1.00 0.00 C ATOM 530 OG SER A 33 -3.252 5.460 -6.246 1.00 0.00 O ATOM 0 H SER A 33 -2.169 4.563 -9.855 1.00 0.00 H new ATOM 0 HA SER A 33 -1.193 6.155 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.599 5.674 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.368 4.025 -7.719 1.00 0.00 H new ATOM 0 HG SER A 33 -4.209 5.394 -6.045 1.00 0.00 H new ATOM 536 N LEU A 34 -0.627 2.920 -7.536 1.00 0.00 N ATOM 537 CA LEU A 34 0.164 1.911 -6.840 1.00 0.00 C ATOM 538 C LEU A 34 1.651 2.215 -6.966 1.00 0.00 C ATOM 539 O LEU A 34 2.419 1.965 -6.040 1.00 0.00 O ATOM 540 CB LEU A 34 -0.132 0.514 -7.387 1.00 0.00 C ATOM 541 CG LEU A 34 -1.576 0.036 -7.213 1.00 0.00 C ATOM 542 CD1 LEU A 34 -1.751 -1.348 -7.812 1.00 0.00 C ATOM 543 CD2 LEU A 34 -1.969 0.035 -5.743 1.00 0.00 C ATOM 0 H LEU A 34 -1.095 2.581 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.112 1.937 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.113 0.498 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.531 -0.199 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.233 0.728 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.783 -1.674 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.513 -1.317 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.083 -2.048 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.999 -0.308 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.308 -0.633 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.882 1.045 -5.342 1.00 0.00 H new ATOM 555 N MET A 35 2.053 2.748 -8.116 1.00 0.00 N ATOM 556 CA MET A 35 3.432 3.178 -8.316 1.00 0.00 C ATOM 557 C MET A 35 3.802 4.246 -7.293 1.00 0.00 C ATOM 558 O MET A 35 4.832 4.158 -6.621 1.00 0.00 O ATOM 559 CB MET A 35 3.635 3.742 -9.727 1.00 0.00 C ATOM 560 CG MET A 35 3.417 2.732 -10.843 1.00 0.00 C ATOM 561 SD MET A 35 3.670 3.447 -12.483 1.00 0.00 S ATOM 562 CE MET A 35 5.388 3.942 -12.379 1.00 0.00 C ATOM 0 H MET A 35 1.444 2.892 -8.922 1.00 0.00 H new ATOM 0 HA MET A 35 4.075 2.307 -8.190 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.952 4.579 -9.872 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.647 4.139 -9.805 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.099 1.893 -10.707 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.404 2.334 -10.776 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.802 4.031 -13.383 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.459 4.904 -11.871 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.949 3.193 -11.820 1.00 0.00 H new ATOM 572 N VAL A 36 2.941 5.249 -7.176 1.00 0.00 N ATOM 573 CA VAL A 36 3.163 6.353 -6.253 1.00 0.00 C ATOM 574 C VAL A 36 3.082 5.883 -4.801 1.00 0.00 C ATOM 575 O VAL A 36 4.033 6.048 -4.038 1.00 0.00 O ATOM 576 CB VAL A 36 2.141 7.490 -6.480 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.404 8.649 -5.532 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.178 7.964 -7.925 1.00 0.00 C ATOM 0 H VAL A 36 2.077 5.320 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 36 4.165 6.735 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 36 1.146 7.098 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.673 9.438 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.321 8.303 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.407 9.039 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.451 8.764 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.176 8.334 -8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.934 7.133 -8.587 1.00 0.00 H new ATOM 588 N LEU A 37 1.955 5.279 -4.436 1.00 0.00 N ATOM 589 CA LEU A 37 1.723 4.848 -3.057 1.00 0.00 C ATOM 590 C LEU A 37 2.714 3.771 -2.635 1.00 0.00 C ATOM 591 O LEU A 37 3.181 3.764 -1.498 1.00 0.00 O ATOM 592 CB LEU A 37 0.290 4.337 -2.885 1.00 0.00 C ATOM 593 CG LEU A 37 -0.802 5.392 -3.084 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.179 4.760 -2.962 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.646 6.524 -2.075 1.00 0.00 C ATOM 0 H LEU A 37 1.186 5.076 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 37 1.870 5.716 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.123 3.525 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.188 3.915 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.698 5.808 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.944 5.523 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.292 3.985 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.290 4.318 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.431 7.263 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.723 6.124 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.328 6.996 -2.205 1.00 0.00 H new ATOM 607 N GLY A 38 3.035 2.870 -3.552 1.00 0.00 N ATOM 608 CA GLY A 38 3.980 1.813 -3.255 1.00 0.00 C ATOM 609 C GLY A 38 5.344 2.359 -2.901 1.00 0.00 C ATOM 610 O GLY A 38 5.945 1.958 -1.902 1.00 0.00 O ATOM 0 H GLY A 38 2.657 2.852 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.604 1.212 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.066 1.151 -4.116 1.00 0.00 H new ATOM 614 N ASN A 39 5.828 3.289 -3.712 1.00 0.00 N ATOM 615 CA ASN A 39 7.112 3.927 -3.461 1.00 0.00 C ATOM 616 C ASN A 39 7.025 4.801 -2.216 1.00 0.00 C ATOM 617 O ASN A 39 7.979 4.907 -1.449 1.00 0.00 O ATOM 618 CB ASN A 39 7.539 4.768 -4.667 1.00 0.00 C ATOM 619 CG ASN A 39 8.936 5.339 -4.514 1.00 0.00 C ATOM 620 OD1 ASN A 39 9.799 4.742 -3.874 1.00 0.00 O ATOM 621 ND2 ASN A 39 9.173 6.502 -5.106 1.00 0.00 N ATOM 0 H ASN A 39 5.350 3.619 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 39 7.860 3.151 -3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.498 4.154 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.830 5.584 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.096 6.930 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.432 6.968 -5.629 1.00 0.00 H new ATOM 628 N MET A 40 5.863 5.414 -2.018 1.00 0.00 N ATOM 629 CA MET A 40 5.617 6.249 -0.848 1.00 0.00 C ATOM 630 C MET A 40 5.781 5.438 0.433 1.00 0.00 C ATOM 631 O MET A 40 6.513 5.838 1.338 1.00 0.00 O ATOM 632 CB MET A 40 4.211 6.854 -0.916 1.00 0.00 C ATOM 633 CG MET A 40 3.896 7.821 0.214 1.00 0.00 C ATOM 634 SD MET A 40 2.239 8.521 0.082 1.00 0.00 S ATOM 635 CE MET A 40 2.232 9.640 1.480 1.00 0.00 C ATOM 0 H MET A 40 5.071 5.347 -2.658 1.00 0.00 H new ATOM 0 HA MET A 40 6.348 7.058 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.096 7.374 -1.867 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.479 6.047 -0.904 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.993 7.304 1.168 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.629 8.628 0.212 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.313 10.227 1.472 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.288 9.067 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.090 10.309 1.415 1.00 0.00 H new ATOM 645 N VAL A 41 5.110 4.292 0.495 1.00 0.00 N ATOM 646 CA VAL A 41 5.207 3.408 1.650 1.00 0.00 C ATOM 647 C VAL A 41 6.629 2.867 1.794 1.00 0.00 C ATOM 648 O VAL A 41 7.182 2.846 2.896 1.00 0.00 O ATOM 649 CB VAL A 41 4.212 2.226 1.551 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.354 1.293 2.745 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.781 2.734 1.445 1.00 0.00 C ATOM 0 H VAL A 41 4.492 3.954 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 41 4.951 3.998 2.530 1.00 0.00 H new ATOM 0 HB VAL A 41 4.449 1.664 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.644 0.471 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.368 0.895 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.152 1.844 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.098 1.887 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.538 3.325 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.680 3.354 0.554 1.00 0.00 H new ATOM 661 N THR A 42 7.216 2.449 0.676 1.00 0.00 N ATOM 662 CA THR A 42 8.577 1.935 0.673 1.00 0.00 C ATOM 663 C THR A 42 9.552 2.967 1.241 1.00 0.00 C ATOM 664 O THR A 42 10.323 2.664 2.151 1.00 0.00 O ATOM 665 CB THR A 42 9.022 1.540 -0.751 1.00 0.00 C ATOM 666 OG1 THR A 42 8.134 0.551 -1.284 1.00 0.00 O ATOM 667 CG2 THR A 42 10.445 0.996 -0.753 1.00 0.00 C ATOM 0 H THR A 42 6.767 2.457 -0.240 1.00 0.00 H new ATOM 0 HA THR A 42 8.588 1.047 1.305 1.00 0.00 H new ATOM 0 HB THR A 42 8.993 2.435 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.283 0.972 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.730 0.726 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.126 1.758 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.498 0.114 -0.115 1.00 0.00 H new ATOM 675 N ASN A 43 9.492 4.188 0.721 1.00 0.00 N ATOM 676 CA ASN A 43 10.386 5.257 1.157 1.00 0.00 C ATOM 677 C ASN A 43 10.109 5.639 2.609 1.00 0.00 C ATOM 678 O ASN A 43 11.026 5.973 3.361 1.00 0.00 O ATOM 679 CB ASN A 43 10.228 6.486 0.258 1.00 0.00 C ATOM 680 CG ASN A 43 11.255 7.560 0.558 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.391 7.265 0.925 1.00 0.00 O ATOM 682 ND2 ASN A 43 10.860 8.813 0.410 1.00 0.00 N ATOM 0 H ASN A 43 8.831 4.464 -0.006 1.00 0.00 H new ATOM 0 HA ASN A 43 11.410 4.891 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.318 6.183 -0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.227 6.899 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.507 9.578 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.908 9.015 0.103 1.00 0.00 H new ATOM 689 N LEU A 44 8.839 5.581 2.997 1.00 0.00 N ATOM 690 CA LEU A 44 8.443 5.876 4.368 1.00 0.00 C ATOM 691 C LEU A 44 9.132 4.919 5.333 1.00 0.00 C ATOM 692 O LEU A 44 9.782 5.346 6.287 1.00 0.00 O ATOM 693 CB LEU A 44 6.923 5.770 4.518 1.00 0.00 C ATOM 694 CG LEU A 44 6.379 6.093 5.913 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.682 7.536 6.287 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.883 5.827 5.978 1.00 0.00 C ATOM 0 H LEU A 44 8.066 5.332 2.380 1.00 0.00 H new ATOM 0 HA LEU A 44 8.748 6.895 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.456 6.443 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.618 4.758 4.252 1.00 0.00 H new ATOM 0 HG LEU A 44 6.876 5.442 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.287 7.745 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.761 7.694 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.216 8.205 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.515 6.062 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.370 6.451 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.690 4.777 5.758 1.00 0.00 H new ATOM 708 N ILE A 45 9.003 3.625 5.067 1.00 0.00 N ATOM 709 CA ILE A 45 9.629 2.607 5.900 1.00 0.00 C ATOM 710 C ILE A 45 11.151 2.694 5.788 1.00 0.00 C ATOM 711 O ILE A 45 11.862 2.602 6.789 1.00 0.00 O ATOM 712 CB ILE A 45 9.160 1.187 5.508 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.633 1.090 5.587 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.802 0.143 6.412 1.00 0.00 C ATOM 715 CD1 ILE A 45 7.084 -0.253 5.157 1.00 0.00 C ATOM 0 H ILE A 45 8.470 3.256 4.280 1.00 0.00 H new ATOM 0 HA ILE A 45 9.328 2.794 6.931 1.00 0.00 H new ATOM 0 HB ILE A 45 9.470 0.993 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.318 1.290 6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.196 1.868 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.460 -0.850 6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.886 0.196 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.520 0.335 7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.997 -0.245 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.367 -0.448 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.491 -1.035 5.798 1.00 0.00 H new ATOM 727 N ASN A 46 11.627 2.903 4.562 1.00 0.00 N ATOM 728 CA ASN A 46 13.056 3.015 4.268 1.00 0.00 C ATOM 729 C ASN A 46 13.737 4.048 5.160 1.00 0.00 C ATOM 730 O ASN A 46 14.786 3.780 5.744 1.00 0.00 O ATOM 731 CB ASN A 46 13.256 3.403 2.795 1.00 0.00 C ATOM 732 CG ASN A 46 14.713 3.628 2.423 1.00 0.00 C ATOM 733 OD1 ASN A 46 15.616 2.987 2.953 1.00 0.00 O ATOM 734 ND2 ASN A 46 14.948 4.553 1.504 1.00 0.00 N ATOM 0 H ASN A 46 11.030 3.000 3.740 1.00 0.00 H new ATOM 0 HA ASN A 46 13.511 2.044 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.844 2.618 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.691 4.311 2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.905 4.753 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.171 5.065 1.086 1.00 0.00 H new ATOM 741 N THR A 47 13.132 5.220 5.268 1.00 0.00 N ATOM 742 CA THR A 47 13.744 6.328 5.978 1.00 0.00 C ATOM 743 C THR A 47 13.454 6.288 7.480 1.00 0.00 C ATOM 744 O THR A 47 14.324 6.612 8.292 1.00 0.00 O ATOM 745 CB THR A 47 13.277 7.675 5.396 1.00 0.00 C ATOM 746 OG1 THR A 47 11.844 7.718 5.344 1.00 0.00 O ATOM 747 CG2 THR A 47 13.845 7.886 3.999 1.00 0.00 C ATOM 0 H THR A 47 12.215 5.427 4.871 1.00 0.00 H new ATOM 0 HA THR A 47 14.821 6.228 5.843 1.00 0.00 H new ATOM 0 HB THR A 47 13.641 8.471 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.529 7.210 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.502 8.844 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.934 7.882 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.506 7.084 3.343 1.00 0.00 H new ATOM 755 N SER A 48 12.240 5.888 7.846 1.00 0.00 N ATOM 756 CA SER A 48 11.816 5.904 9.244 1.00 0.00 C ATOM 757 C SER A 48 12.576 4.884 10.092 1.00 0.00 C ATOM 758 O SER A 48 13.282 5.250 11.032 1.00 0.00 O ATOM 759 CB SER A 48 10.313 5.643 9.350 1.00 0.00 C ATOM 760 OG SER A 48 9.571 6.635 8.663 1.00 0.00 O ATOM 0 H SER A 48 11.532 5.549 7.195 1.00 0.00 H new ATOM 0 HA SER A 48 12.045 6.896 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.082 4.661 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.017 5.625 10.399 1.00 0.00 H new ATOM 0 HG SER A 48 9.498 6.392 7.716 1.00 0.00 H new ATOM 766 N ILE A 49 12.431 3.607 9.765 1.00 0.00 N ATOM 767 CA ILE A 49 12.994 2.553 10.583 1.00 0.00 C ATOM 768 C ILE A 49 14.390 2.177 10.078 1.00 0.00 C ATOM 769 O ILE A 49 14.691 2.331 8.892 1.00 0.00 O ATOM 770 CB ILE A 49 12.060 1.319 10.590 1.00 0.00 C ATOM 771 CG1 ILE A 49 12.394 0.392 11.749 1.00 0.00 C ATOM 772 CG2 ILE A 49 12.135 0.566 9.274 1.00 0.00 C ATOM 773 CD1 ILE A 49 11.959 0.926 13.097 1.00 0.00 C ATOM 0 H ILE A 49 11.928 3.281 8.940 1.00 0.00 H new ATOM 0 HA ILE A 49 13.087 2.915 11.607 1.00 0.00 H new ATOM 0 HB ILE A 49 11.039 1.679 10.718 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.918 -0.574 11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 49 13.470 0.219 11.766 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.468 -0.295 9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.834 1.225 8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 13.157 0.227 9.107 1.00 0.00 H new ATOM 0 HD11 ILE A 49 12.230 0.213 13.875 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.455 1.878 13.289 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.879 1.073 13.099 1.00 0.00 H new ATOM 785 N ALA A 50 15.245 1.716 10.980 1.00 0.00 N ATOM 786 CA ALA A 50 16.613 1.358 10.623 1.00 0.00 C ATOM 787 C ALA A 50 16.656 0.054 9.828 1.00 0.00 C ATOM 788 O ALA A 50 15.826 -0.836 10.033 1.00 0.00 O ATOM 789 CB ALA A 50 17.468 1.244 11.875 1.00 0.00 C ATOM 0 H ALA A 50 15.017 1.581 11.965 1.00 0.00 H new ATOM 0 HA ALA A 50 17.015 2.148 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.487 0.976 11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.474 2.199 12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.056 0.474 12.528 1.00 0.00 H new ATOM 795 N PRO A 51 17.619 -0.060 8.894 1.00 0.00 N ATOM 796 CA PRO A 51 17.812 -1.272 8.088 1.00 0.00 C ATOM 797 C PRO A 51 18.172 -2.484 8.943 1.00 0.00 C ATOM 798 O PRO A 51 19.312 -2.626 9.387 1.00 0.00 O ATOM 799 CB PRO A 51 18.967 -0.911 7.146 1.00 0.00 C ATOM 800 CG PRO A 51 19.656 0.239 7.797 1.00 0.00 C ATOM 801 CD PRO A 51 18.590 0.991 8.542 1.00 0.00 C ATOM 0 HA PRO A 51 16.900 -1.556 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.646 -1.754 7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.599 -0.641 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 51 20.436 -0.106 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 51 20.137 0.876 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.990 1.483 9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 51 18.138 1.766 7.924 1.00 0.00 H new ATOM 809 N ALA A 52 17.181 -3.339 9.161 1.00 0.00 N ATOM 810 CA ALA A 52 17.319 -4.529 10.000 1.00 0.00 C ATOM 811 C ALA A 52 15.977 -5.241 10.085 1.00 0.00 C ATOM 812 O ALA A 52 15.796 -6.330 9.545 1.00 0.00 O ATOM 813 CB ALA A 52 17.807 -4.166 11.401 1.00 0.00 C ATOM 0 H ALA A 52 16.250 -3.228 8.759 1.00 0.00 H new ATOM 0 HA ALA A 52 18.061 -5.188 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.899 -5.072 12.000 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.778 -3.676 11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.092 -3.491 11.872 1.00 0.00 H new ATOM 819 N GLN A 53 15.032 -4.605 10.761 1.00 0.00 N ATOM 820 CA GLN A 53 13.666 -5.105 10.827 1.00 0.00 C ATOM 821 C GLN A 53 12.797 -4.350 9.831 1.00 0.00 C ATOM 822 O GLN A 53 11.574 -4.485 9.819 1.00 0.00 O ATOM 823 CB GLN A 53 13.086 -4.977 12.245 1.00 0.00 C ATOM 824 CG GLN A 53 13.012 -3.550 12.782 1.00 0.00 C ATOM 825 CD GLN A 53 14.364 -3.004 13.205 1.00 0.00 C ATOM 826 OE1 GLN A 53 15.241 -3.749 13.632 1.00 0.00 O ATOM 827 NE2 GLN A 53 14.539 -1.700 13.092 1.00 0.00 N ATOM 0 H GLN A 53 15.187 -3.737 11.274 1.00 0.00 H new ATOM 0 HA GLN A 53 13.678 -6.165 10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.084 -5.405 12.252 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.692 -5.575 12.925 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.588 -2.901 12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.333 -3.523 13.634 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.786 -1.114 12.733 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.427 -1.279 13.364 1.00 0.00 H new ATOM 836 N ARG A 54 13.453 -3.571 8.980 1.00 0.00 N ATOM 837 CA ARG A 54 12.775 -2.750 7.989 1.00 0.00 C ATOM 838 C ARG A 54 11.996 -3.621 7.007 1.00 0.00 C ATOM 839 O ARG A 54 10.817 -3.371 6.741 1.00 0.00 O ATOM 840 CB ARG A 54 13.801 -1.882 7.254 1.00 0.00 C ATOM 841 CG ARG A 54 13.189 -0.915 6.258 1.00 0.00 C ATOM 842 CD ARG A 54 14.195 0.132 5.818 1.00 0.00 C ATOM 843 NE ARG A 54 15.341 -0.458 5.137 1.00 0.00 N ATOM 844 CZ ARG A 54 16.439 0.209 4.806 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.591 1.481 5.163 1.00 0.00 N ATOM 846 NH2 ARG A 54 17.397 -0.411 4.129 1.00 0.00 N ATOM 0 H ARG A 54 14.470 -3.492 8.959 1.00 0.00 H new ATOM 0 HA ARG A 54 12.060 -2.100 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.376 -1.317 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.503 -2.531 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.829 -1.465 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.324 -0.426 6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.707 0.845 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.540 0.691 6.688 1.00 0.00 H new ATOM 0 HE ARG A 54 15.296 -1.449 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.860 1.952 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.439 1.986 4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.285 -1.391 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.245 0.092 3.869 1.00 0.00 H new ATOM 860 N GLN A 55 12.650 -4.654 6.489 1.00 0.00 N ATOM 861 CA GLN A 55 11.998 -5.586 5.580 1.00 0.00 C ATOM 862 C GLN A 55 10.861 -6.309 6.300 1.00 0.00 C ATOM 863 O GLN A 55 9.816 -6.582 5.714 1.00 0.00 O ATOM 864 CB GLN A 55 13.023 -6.585 5.017 1.00 0.00 C ATOM 865 CG GLN A 55 12.507 -7.436 3.857 1.00 0.00 C ATOM 866 CD GLN A 55 11.675 -8.630 4.299 1.00 0.00 C ATOM 867 OE1 GLN A 55 10.749 -9.048 3.607 1.00 0.00 O ATOM 868 NE2 GLN A 55 12.016 -9.205 5.441 1.00 0.00 N ATOM 0 H GLN A 55 13.629 -4.866 6.683 1.00 0.00 H new ATOM 0 HA GLN A 55 11.573 -5.032 4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.903 -6.035 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.346 -7.247 5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.906 -6.810 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.356 -7.792 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.790 -8.831 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.505 -10.023 5.773 1.00 0.00 H new ATOM 877 N ALA A 56 11.063 -6.588 7.586 1.00 0.00 N ATOM 878 CA ALA A 56 10.062 -7.287 8.387 1.00 0.00 C ATOM 879 C ALA A 56 8.771 -6.484 8.479 1.00 0.00 C ATOM 880 O ALA A 56 7.678 -7.048 8.420 1.00 0.00 O ATOM 881 CB ALA A 56 10.601 -7.579 9.778 1.00 0.00 C ATOM 0 H ALA A 56 11.911 -6.340 8.095 1.00 0.00 H new ATOM 0 HA ALA A 56 9.839 -8.232 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.841 -8.100 10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.490 -8.204 9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.858 -6.642 10.273 1.00 0.00 H new ATOM 887 N ILE A 57 8.896 -5.171 8.623 1.00 0.00 N ATOM 888 CA ILE A 57 7.729 -4.297 8.669 1.00 0.00 C ATOM 889 C ILE A 57 6.976 -4.346 7.341 1.00 0.00 C ATOM 890 O ILE A 57 5.748 -4.457 7.313 1.00 0.00 O ATOM 891 CB ILE A 57 8.120 -2.840 8.991 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.827 -2.774 10.348 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.890 -1.940 8.984 1.00 0.00 C ATOM 894 CD1 ILE A 57 9.292 -1.386 10.727 1.00 0.00 C ATOM 0 H ILE A 57 9.790 -4.688 8.710 1.00 0.00 H new ATOM 0 HA ILE A 57 7.082 -4.659 9.468 1.00 0.00 H new ATOM 0 HB ILE A 57 8.805 -2.484 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.150 -3.143 11.118 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.687 -3.443 10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.187 -0.917 9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.422 -1.970 8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.180 -2.289 9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.783 -1.420 11.700 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.995 -1.021 9.978 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.434 -0.716 10.777 1.00 0.00 H new ATOM 906 N ALA A 58 7.721 -4.287 6.244 1.00 0.00 N ATOM 907 CA ALA A 58 7.131 -4.372 4.915 1.00 0.00 C ATOM 908 C ALA A 58 6.467 -5.730 4.706 1.00 0.00 C ATOM 909 O ALA A 58 5.375 -5.822 4.146 1.00 0.00 O ATOM 910 CB ALA A 58 8.190 -4.128 3.851 1.00 0.00 C ATOM 0 H ALA A 58 8.735 -4.181 6.249 1.00 0.00 H new ATOM 0 HA ALA A 58 6.366 -3.601 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.735 -4.195 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.620 -3.136 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.975 -4.879 3.940 1.00 0.00 H new ATOM 916 N ASN A 59 7.130 -6.780 5.174 1.00 0.00 N ATOM 917 CA ASN A 59 6.599 -8.134 5.076 1.00 0.00 C ATOM 918 C ASN A 59 5.328 -8.278 5.908 1.00 0.00 C ATOM 919 O ASN A 59 4.377 -8.947 5.500 1.00 0.00 O ATOM 920 CB ASN A 59 7.642 -9.150 5.538 1.00 0.00 C ATOM 921 CG ASN A 59 7.150 -10.577 5.409 1.00 0.00 C ATOM 922 OD1 ASN A 59 6.552 -11.128 6.333 1.00 0.00 O ATOM 923 ND2 ASN A 59 7.405 -11.188 4.267 1.00 0.00 N ATOM 0 H ASN A 59 8.042 -6.719 5.628 1.00 0.00 H new ATOM 0 HA ASN A 59 6.355 -8.327 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.551 -9.027 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.905 -8.951 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.103 -12.152 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.904 -10.696 3.526 1.00 0.00 H new ATOM 930 N SER A 60 5.319 -7.645 7.078 1.00 0.00 N ATOM 931 CA SER A 60 4.141 -7.641 7.935 1.00 0.00 C ATOM 932 C SER A 60 2.971 -6.991 7.209 1.00 0.00 C ATOM 933 O SER A 60 1.850 -7.496 7.249 1.00 0.00 O ATOM 934 CB SER A 60 4.431 -6.905 9.246 1.00 0.00 C ATOM 935 OG SER A 60 5.491 -7.524 9.957 1.00 0.00 O ATOM 0 H SER A 60 6.115 -7.129 7.453 1.00 0.00 H new ATOM 0 HA SER A 60 3.879 -8.672 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.689 -5.867 9.034 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.534 -6.891 9.865 1.00 0.00 H new ATOM 0 HG SER A 60 6.348 -7.268 9.555 1.00 0.00 H new ATOM 941 N PHE A 61 3.250 -5.883 6.528 1.00 0.00 N ATOM 942 CA PHE A 61 2.239 -5.186 5.744 1.00 0.00 C ATOM 943 C PHE A 61 1.727 -6.083 4.619 1.00 0.00 C ATOM 944 O PHE A 61 0.530 -6.110 4.333 1.00 0.00 O ATOM 945 CB PHE A 61 2.816 -3.886 5.170 1.00 0.00 C ATOM 946 CG PHE A 61 1.813 -3.048 4.425 1.00 0.00 C ATOM 947 CD1 PHE A 61 0.942 -2.217 5.113 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.747 -3.082 3.039 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.024 -1.440 4.434 1.00 0.00 C ATOM 950 CE2 PHE A 61 0.829 -2.307 2.355 1.00 0.00 C ATOM 951 CZ PHE A 61 -0.032 -1.485 3.054 1.00 0.00 C ATOM 0 H PHE A 61 4.172 -5.448 6.504 1.00 0.00 H new ATOM 0 HA PHE A 61 1.402 -4.937 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.234 -3.295 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.639 -4.131 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.982 -2.177 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.421 -3.722 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.650 -0.798 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.786 -2.345 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.749 -0.877 2.522 1.00 0.00 H new ATOM 961 N ALA A 62 2.642 -6.817 3.993 1.00 0.00 N ATOM 962 CA ALA A 62 2.290 -7.748 2.925 1.00 0.00 C ATOM 963 C ALA A 62 1.307 -8.802 3.424 1.00 0.00 C ATOM 964 O ALA A 62 0.229 -8.981 2.852 1.00 0.00 O ATOM 965 CB ALA A 62 3.542 -8.408 2.367 1.00 0.00 C ATOM 0 H ALA A 62 3.638 -6.785 4.208 1.00 0.00 H new ATOM 0 HA ALA A 62 1.806 -7.186 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.265 -9.100 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.209 -7.644 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.050 -8.954 3.162 1.00 0.00 H new ATOM 971 N ARG A 63 1.679 -9.496 4.499 1.00 0.00 N ATOM 972 CA ARG A 63 0.813 -10.499 5.094 1.00 0.00 C ATOM 973 C ARG A 63 -0.497 -9.886 5.580 1.00 0.00 C ATOM 974 O ARG A 63 -1.556 -10.503 5.463 1.00 0.00 O ATOM 975 CB ARG A 63 1.535 -11.192 6.244 1.00 0.00 C ATOM 976 CG ARG A 63 2.759 -11.964 5.792 1.00 0.00 C ATOM 977 CD ARG A 63 3.464 -12.629 6.955 1.00 0.00 C ATOM 978 NE ARG A 63 4.271 -11.693 7.737 1.00 0.00 N ATOM 979 CZ ARG A 63 4.111 -11.472 9.043 1.00 0.00 C ATOM 980 NH1 ARG A 63 3.129 -12.071 9.709 1.00 0.00 N ATOM 981 NH2 ARG A 63 4.941 -10.656 9.685 1.00 0.00 N ATOM 0 H ARG A 63 2.575 -9.378 4.972 1.00 0.00 H new ATOM 0 HA ARG A 63 0.569 -11.235 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.834 -10.446 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.845 -11.874 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.464 -12.721 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.449 -11.288 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.723 -13.095 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.104 -13.427 6.578 1.00 0.00 H new ATOM 0 HE ARG A 63 5.004 -11.175 7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.494 -12.703 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.011 -11.899 10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.700 -10.199 9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.819 -10.487 10.683 1.00 0.00 H new ATOM 995 N ALA A 64 -0.421 -8.677 6.125 1.00 0.00 N ATOM 996 CA ALA A 64 -1.613 -7.967 6.577 1.00 0.00 C ATOM 997 C ALA A 64 -2.563 -7.718 5.412 1.00 0.00 C ATOM 998 O ALA A 64 -3.763 -7.962 5.520 1.00 0.00 O ATOM 999 CB ALA A 64 -1.235 -6.654 7.246 1.00 0.00 C ATOM 0 H ALA A 64 0.452 -8.168 6.265 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.124 -8.591 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.138 -6.140 7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.597 -6.855 8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.699 -6.025 6.536 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.011 -7.249 4.296 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.787 -7.012 3.085 1.00 0.00 C ATOM 1007 C LEU A 65 -3.496 -8.288 2.641 1.00 0.00 C ATOM 1008 O LEU A 65 -4.701 -8.287 2.392 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.874 -6.503 1.965 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.573 -6.197 0.636 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.583 -5.074 0.808 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.548 -5.840 -0.430 1.00 0.00 C ATOM 0 H LEU A 65 -1.020 -7.024 4.207 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.541 -6.255 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.374 -5.598 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.098 -7.247 1.785 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.110 -7.089 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.068 -4.872 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.334 -5.369 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.072 -4.175 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.059 -5.625 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.985 -4.962 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.864 -6.677 -0.572 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.744 -9.380 2.571 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.294 -10.666 2.160 1.00 0.00 C ATOM 1026 C GLN A 66 -4.383 -11.138 3.118 1.00 0.00 C ATOM 1027 O GLN A 66 -5.334 -11.802 2.710 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.190 -11.715 2.074 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.214 -11.493 0.932 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.163 -12.577 0.878 1.00 0.00 C ATOM 1031 OE1 GLN A 66 0.196 -13.144 1.903 1.00 0.00 O ATOM 1032 NE2 GLN A 66 0.328 -12.884 -0.312 1.00 0.00 N ATOM 0 H GLN A 66 -1.749 -9.400 2.794 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.741 -10.533 1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.638 -11.724 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.646 -12.699 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.758 -11.466 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.731 -10.523 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.002 -12.388 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.032 -13.617 -0.400 1.00 0.00 H new ATOM 1041 N SER A 67 -4.246 -10.783 4.390 1.00 0.00 N ATOM 1042 CA SER A 67 -5.226 -11.162 5.394 1.00 0.00 C ATOM 1043 C SER A 67 -6.476 -10.293 5.274 1.00 0.00 C ATOM 1044 O SER A 67 -7.584 -10.730 5.585 1.00 0.00 O ATOM 1045 CB SER A 67 -4.627 -11.026 6.793 1.00 0.00 C ATOM 1046 OG SER A 67 -3.415 -11.757 6.905 1.00 0.00 O ATOM 0 H SER A 67 -3.465 -10.233 4.748 1.00 0.00 H new ATOM 0 HA SER A 67 -5.507 -12.202 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.442 -9.974 7.012 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.341 -11.385 7.534 1.00 0.00 H new ATOM 0 HG SER A 67 -2.666 -11.194 6.620 1.00 0.00 H new ATOM 1052 N SER A 68 -6.287 -9.064 4.808 1.00 0.00 N ATOM 1053 CA SER A 68 -7.380 -8.116 4.665 1.00 0.00 C ATOM 1054 C SER A 68 -8.183 -8.409 3.398 1.00 0.00 C ATOM 1055 O SER A 68 -9.312 -7.944 3.240 1.00 0.00 O ATOM 1056 CB SER A 68 -6.830 -6.686 4.636 1.00 0.00 C ATOM 1057 OG SER A 68 -7.872 -5.725 4.660 1.00 0.00 O ATOM 0 H SER A 68 -5.378 -8.701 4.521 1.00 0.00 H new ATOM 0 HA SER A 68 -8.048 -8.218 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.172 -6.531 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.226 -6.546 3.740 1.00 0.00 H new ATOM 0 HG SER A 68 -7.487 -4.824 4.642 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.591 -9.176 2.492 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.280 -9.570 1.275 1.00 0.00 C ATOM 1065 C ILE A 69 -9.246 -10.719 1.559 1.00 0.00 C ATOM 1066 O ILE A 69 -8.831 -11.856 1.768 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.292 -9.988 0.159 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -6.346 -8.834 -0.190 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -8.045 -10.450 -1.082 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -7.054 -7.591 -0.688 1.00 0.00 C ATOM 0 H ILE A 69 -6.640 -9.535 2.578 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.836 -8.700 0.925 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.696 -10.821 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.760 -8.578 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.644 -9.171 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.332 -10.739 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.673 -11.305 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.670 -9.637 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.318 -6.819 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.618 -7.830 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.736 -7.228 0.081 1.00 0.00 H new ATOM 1442 N SER B 8 5.806 10.166 -17.075 1.00 0.00 N ATOM 1443 CA SER B 8 7.026 10.945 -16.961 1.00 0.00 C ATOM 1444 C SER B 8 7.421 11.128 -15.496 1.00 0.00 C ATOM 1445 O SER B 8 6.564 11.115 -14.605 1.00 0.00 O ATOM 1446 CB SER B 8 6.843 12.306 -17.643 1.00 0.00 C ATOM 1447 OG SER B 8 8.062 13.031 -17.688 1.00 0.00 O ATOM 0 HA SER B 8 7.830 10.405 -17.460 1.00 0.00 H new ATOM 0 HB2 SER B 8 6.468 12.160 -18.656 1.00 0.00 H new ATOM 0 HB3 SER B 8 6.093 12.886 -17.106 1.00 0.00 H new ATOM 0 HG SER B 8 7.914 13.893 -18.130 1.00 0.00 H new ATOM 1453 N ASP B 9 8.721 11.297 -15.259 1.00 0.00 N ATOM 1454 CA ASP B 9 9.257 11.468 -13.909 1.00 0.00 C ATOM 1455 C ASP B 9 8.559 12.618 -13.195 1.00 0.00 C ATOM 1456 O ASP B 9 8.162 12.488 -12.040 1.00 0.00 O ATOM 1457 CB ASP B 9 10.767 11.736 -13.957 1.00 0.00 C ATOM 1458 CG ASP B 9 11.550 10.625 -14.628 1.00 0.00 C ATOM 1459 OD1 ASP B 9 11.591 10.594 -15.878 1.00 0.00 O ATOM 1460 OD2 ASP B 9 12.143 9.786 -13.917 1.00 0.00 O ATOM 0 H ASP B 9 9.429 11.319 -15.993 1.00 0.00 H new ATOM 0 HA ASP B 9 9.076 10.545 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.947 12.671 -14.488 1.00 0.00 H new ATOM 0 HB3 ASP B 9 11.138 11.871 -12.941 1.00 0.00 H new ATOM 1465 N GLU B 10 8.396 13.732 -13.904 1.00 0.00 N ATOM 1466 CA GLU B 10 7.734 14.914 -13.355 1.00 0.00 C ATOM 1467 C GLU B 10 6.303 14.595 -12.926 1.00 0.00 C ATOM 1468 O GLU B 10 5.826 15.093 -11.904 1.00 0.00 O ATOM 1469 CB GLU B 10 7.731 16.039 -14.390 1.00 0.00 C ATOM 1470 CG GLU B 10 7.052 17.311 -13.912 1.00 0.00 C ATOM 1471 CD GLU B 10 7.034 18.392 -14.970 1.00 0.00 C ATOM 1472 OE1 GLU B 10 6.130 18.371 -15.834 1.00 0.00 O ATOM 1473 OE2 GLU B 10 7.926 19.268 -14.944 1.00 0.00 O ATOM 0 H GLU B 10 8.715 13.842 -14.866 1.00 0.00 H new ATOM 0 HA GLU B 10 8.289 15.235 -12.474 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.760 16.269 -14.665 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.230 15.688 -15.292 1.00 0.00 H new ATOM 0 HG2 GLU B 10 6.029 17.082 -13.614 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.567 17.683 -13.026 1.00 0.00 H new ATOM 1480 N GLN B 11 5.631 13.751 -13.700 1.00 0.00 N ATOM 1481 CA GLN B 11 4.251 13.380 -13.414 1.00 0.00 C ATOM 1482 C GLN B 11 4.174 12.645 -12.080 1.00 0.00 C ATOM 1483 O GLN B 11 3.329 12.951 -11.237 1.00 0.00 O ATOM 1484 CB GLN B 11 3.696 12.499 -14.536 1.00 0.00 C ATOM 1485 CG GLN B 11 2.193 12.271 -14.452 1.00 0.00 C ATOM 1486 CD GLN B 11 1.678 11.341 -15.536 1.00 0.00 C ATOM 1487 OE1 GLN B 11 2.252 11.253 -16.625 1.00 0.00 O ATOM 1488 NE2 GLN B 11 0.586 10.649 -15.251 1.00 0.00 N ATOM 0 H GLN B 11 6.021 13.310 -14.533 1.00 0.00 H new ATOM 0 HA GLN B 11 3.648 14.286 -13.352 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.931 12.958 -15.496 1.00 0.00 H new ATOM 0 HB3 GLN B 11 4.202 11.534 -14.512 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.947 11.854 -13.475 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.680 13.230 -14.528 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.142 10.750 -14.339 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.189 10.014 -15.944 1.00 0.00 H new ATOM 1497 N VAL B 12 5.079 11.692 -11.892 1.00 0.00 N ATOM 1498 CA VAL B 12 5.132 10.915 -10.659 1.00 0.00 C ATOM 1499 C VAL B 12 5.613 11.782 -9.498 1.00 0.00 C ATOM 1500 O VAL B 12 5.080 11.701 -8.391 1.00 0.00 O ATOM 1501 CB VAL B 12 6.060 9.690 -10.803 1.00 0.00 C ATOM 1502 CG1 VAL B 12 6.046 8.846 -9.535 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.656 8.852 -12.005 1.00 0.00 C ATOM 0 H VAL B 12 5.788 11.438 -12.580 1.00 0.00 H new ATOM 0 HA VAL B 12 4.121 10.562 -10.454 1.00 0.00 H new ATOM 0 HB VAL B 12 7.076 10.052 -10.959 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.707 7.989 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.389 9.448 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.032 8.496 -9.342 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.322 7.993 -12.090 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.630 8.505 -11.879 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.726 9.456 -12.910 1.00 0.00 H new ATOM 1513 N GLU B 13 6.615 12.615 -9.773 1.00 0.00 N ATOM 1514 CA GLU B 13 7.160 13.546 -8.786 1.00 0.00 C ATOM 1515 C GLU B 13 6.043 14.396 -8.190 1.00 0.00 C ATOM 1516 O GLU B 13 5.893 14.486 -6.971 1.00 0.00 O ATOM 1517 CB GLU B 13 8.196 14.457 -9.454 1.00 0.00 C ATOM 1518 CG GLU B 13 8.918 15.394 -8.496 1.00 0.00 C ATOM 1519 CD GLU B 13 9.955 14.687 -7.649 1.00 0.00 C ATOM 1520 OE1 GLU B 13 9.599 14.150 -6.580 1.00 0.00 O ATOM 1521 OE2 GLU B 13 11.139 14.677 -8.048 1.00 0.00 O ATOM 0 H GLU B 13 7.071 12.664 -10.684 1.00 0.00 H new ATOM 0 HA GLU B 13 7.636 12.975 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.934 13.836 -9.962 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.699 15.052 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.402 16.187 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.187 15.872 -7.843 1.00 0.00 H new ATOM 1528 N GLN B 14 5.259 15.001 -9.073 1.00 0.00 N ATOM 1529 CA GLN B 14 4.147 15.855 -8.680 1.00 0.00 C ATOM 1530 C GLN B 14 3.148 15.095 -7.810 1.00 0.00 C ATOM 1531 O GLN B 14 2.757 15.567 -6.744 1.00 0.00 O ATOM 1532 CB GLN B 14 3.454 16.393 -9.929 1.00 0.00 C ATOM 1533 CG GLN B 14 2.313 17.354 -9.644 1.00 0.00 C ATOM 1534 CD GLN B 14 1.655 17.856 -10.913 1.00 0.00 C ATOM 1535 OE1 GLN B 14 0.463 18.154 -10.931 1.00 0.00 O ATOM 1536 NE2 GLN B 14 2.424 17.957 -11.984 1.00 0.00 N ATOM 0 H GLN B 14 5.377 14.913 -10.082 1.00 0.00 H new ATOM 0 HA GLN B 14 4.538 16.685 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN B 14 4.193 16.898 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN B 14 3.070 15.553 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN B 14 1.568 16.856 -9.023 1.00 0.00 H new ATOM 0 HG3 GLN B 14 2.689 18.202 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN B 14 3.410 17.700 -11.930 1.00 0.00 H new ATOM 0 HE22 GLN B 14 2.032 18.292 -12.864 1.00 0.00 H new ATOM 1545 N LEU B 15 2.752 13.912 -8.266 1.00 0.00 N ATOM 1546 CA LEU B 15 1.774 13.101 -7.547 1.00 0.00 C ATOM 1547 C LEU B 15 2.291 12.712 -6.167 1.00 0.00 C ATOM 1548 O LEU B 15 1.589 12.873 -5.167 1.00 0.00 O ATOM 1549 CB LEU B 15 1.433 11.844 -8.350 1.00 0.00 C ATOM 1550 CG LEU B 15 0.722 12.099 -9.680 1.00 0.00 C ATOM 1551 CD1 LEU B 15 0.519 10.793 -10.433 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.610 12.790 -9.448 1.00 0.00 C ATOM 0 H LEU B 15 3.093 13.492 -9.131 1.00 0.00 H new ATOM 0 HA LEU B 15 0.872 13.699 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.354 11.296 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.804 11.199 -7.737 1.00 0.00 H new ATOM 0 HG LEU B 15 1.349 12.754 -10.285 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.012 10.992 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.487 10.333 -10.631 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.088 10.116 -9.831 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.102 12.963 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.243 12.159 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.443 13.744 -8.948 1.00 0.00 H new ATOM 1564 N LEU B 16 3.520 12.216 -6.118 1.00 0.00 N ATOM 1565 CA LEU B 16 4.124 11.778 -4.865 1.00 0.00 C ATOM 1566 C LEU B 16 4.243 12.937 -3.882 1.00 0.00 C ATOM 1567 O LEU B 16 3.886 12.809 -2.707 1.00 0.00 O ATOM 1568 CB LEU B 16 5.507 11.171 -5.129 1.00 0.00 C ATOM 1569 CG LEU B 16 6.246 10.662 -3.890 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.477 9.524 -3.234 1.00 0.00 C ATOM 1571 CD2 LEU B 16 7.652 10.214 -4.260 1.00 0.00 C ATOM 0 H LEU B 16 4.121 12.106 -6.935 1.00 0.00 H new ATOM 0 HA LEU B 16 3.478 11.019 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.395 10.344 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.127 11.922 -5.619 1.00 0.00 H new ATOM 0 HG LEU B 16 6.320 11.480 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.020 9.177 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU B 16 4.490 9.877 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.369 8.702 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU B 16 8.166 9.854 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.596 9.411 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU B 16 8.203 11.055 -4.682 1.00 0.00 H new ATOM 1583 N ALA B 17 4.731 14.067 -4.373 1.00 0.00 N ATOM 1584 CA ALA B 17 4.945 15.236 -3.535 1.00 0.00 C ATOM 1585 C ALA B 17 3.631 15.763 -2.968 1.00 0.00 C ATOM 1586 O ALA B 17 3.560 16.149 -1.801 1.00 0.00 O ATOM 1587 CB ALA B 17 5.653 16.326 -4.322 1.00 0.00 C ATOM 0 H ALA B 17 4.987 14.198 -5.352 1.00 0.00 H new ATOM 0 HA ALA B 17 5.574 14.936 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.807 17.195 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.618 15.956 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.043 16.610 -5.180 1.00 0.00 H new ATOM 1593 N GLU B 18 2.592 15.779 -3.792 1.00 0.00 N ATOM 1594 CA GLU B 18 1.303 16.316 -3.372 1.00 0.00 C ATOM 1595 C GLU B 18 0.606 15.397 -2.376 1.00 0.00 C ATOM 1596 O GLU B 18 -0.041 15.872 -1.444 1.00 0.00 O ATOM 1597 CB GLU B 18 0.407 16.586 -4.581 1.00 0.00 C ATOM 1598 CG GLU B 18 0.872 17.772 -5.408 1.00 0.00 C ATOM 1599 CD GLU B 18 0.957 19.043 -4.585 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.092 19.686 -4.375 1.00 0.00 O ATOM 1601 OE2 GLU B 18 2.071 19.394 -4.135 1.00 0.00 O ATOM 0 H GLU B 18 2.615 15.429 -4.750 1.00 0.00 H new ATOM 0 HA GLU B 18 1.493 17.262 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.380 15.698 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.612 16.765 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU B 18 1.849 17.553 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.185 17.925 -6.240 1.00 0.00 H new ATOM 1608 N LEU B 19 0.749 14.089 -2.560 1.00 0.00 N ATOM 1609 CA LEU B 19 0.163 13.129 -1.629 1.00 0.00 C ATOM 1610 C LEU B 19 0.864 13.199 -0.277 1.00 0.00 C ATOM 1611 O LEU B 19 0.217 13.184 0.772 1.00 0.00 O ATOM 1612 CB LEU B 19 0.236 11.706 -2.190 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.638 11.448 -3.420 1.00 0.00 C ATOM 1614 CD1 LEU B 19 -0.520 10.000 -3.864 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -2.089 11.800 -3.126 1.00 0.00 C ATOM 0 H LEU B 19 1.260 13.671 -3.337 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.887 13.390 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.272 11.486 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.053 11.007 -1.405 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.287 12.085 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -1.148 9.836 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.518 9.780 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.845 9.344 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.696 11.610 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.452 11.188 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.160 12.854 -2.856 1.00 0.00 H new ATOM 1627 N LEU B 20 2.189 13.299 -0.308 1.00 0.00 N ATOM 1628 CA LEU B 20 2.974 13.435 0.914 1.00 0.00 C ATOM 1629 C LEU B 20 2.650 14.759 1.602 1.00 0.00 C ATOM 1630 O LEU B 20 2.616 14.843 2.830 1.00 0.00 O ATOM 1631 CB LEU B 20 4.472 13.354 0.594 1.00 0.00 C ATOM 1632 CG LEU B 20 5.410 13.448 1.802 1.00 0.00 C ATOM 1633 CD1 LEU B 20 5.169 12.290 2.760 1.00 0.00 C ATOM 1634 CD2 LEU B 20 6.860 13.475 1.345 1.00 0.00 C ATOM 0 H LEU B 20 2.741 13.288 -1.165 1.00 0.00 H new ATOM 0 HA LEU B 20 2.718 12.618 1.589 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.665 12.413 0.078 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.721 14.156 -0.101 1.00 0.00 H new ATOM 0 HG LEU B 20 5.199 14.376 2.332 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.845 12.375 3.611 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.138 12.317 3.112 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.352 11.347 2.244 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.514 13.542 2.214 1.00 0.00 H new ATOM 0 HD22 LEU B 20 7.084 12.563 0.792 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.023 14.339 0.701 1.00 0.00 H new ATOM 1646 N ASN B 21 2.393 15.783 0.794 1.00 0.00 N ATOM 1647 CA ASN B 21 2.042 17.107 1.303 1.00 0.00 C ATOM 1648 C ASN B 21 0.770 17.043 2.142 1.00 0.00 C ATOM 1649 O ASN B 21 0.689 17.646 3.209 1.00 0.00 O ATOM 1650 CB ASN B 21 1.845 18.083 0.141 1.00 0.00 C ATOM 1651 CG ASN B 21 1.702 19.525 0.596 1.00 0.00 C ATOM 1652 OD1 ASN B 21 2.310 19.944 1.580 1.00 0.00 O ATOM 1653 ND2 ASN B 21 0.892 20.292 -0.118 1.00 0.00 N ATOM 0 H ASN B 21 2.421 15.721 -0.224 1.00 0.00 H new ATOM 0 HA ASN B 21 2.859 17.458 1.933 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.693 18.005 -0.540 1.00 0.00 H new ATOM 0 HB3 ASN B 21 0.957 17.795 -0.422 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.754 21.269 0.142 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.406 19.906 -0.927 1.00 0.00 H new ATOM 1660 N VAL B 22 -0.218 16.297 1.657 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.482 16.136 2.370 1.00 0.00 C ATOM 1662 C VAL B 22 -1.269 15.394 3.689 1.00 0.00 C ATOM 1663 O VAL B 22 -1.901 15.706 4.701 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.518 15.376 1.515 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.814 15.173 2.285 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.783 16.116 0.214 1.00 0.00 C ATOM 0 H VAL B 22 -0.168 15.793 0.771 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.866 17.135 2.576 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.106 14.395 1.278 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.528 14.635 1.661 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.614 14.596 3.188 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.230 16.142 2.559 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.516 15.565 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.169 17.112 0.434 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.855 16.203 -0.351 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.371 14.418 3.676 1.00 0.00 N ATOM 1677 CA LEU B 23 -0.049 13.668 4.881 1.00 0.00 C ATOM 1678 C LEU B 23 0.581 14.601 5.911 1.00 0.00 C ATOM 1679 O LEU B 23 0.133 14.663 7.053 1.00 0.00 O ATOM 1680 CB LEU B 23 0.886 12.493 4.550 1.00 0.00 C ATOM 1681 CG LEU B 23 1.090 11.459 5.670 1.00 0.00 C ATOM 1682 CD1 LEU B 23 1.539 10.130 5.082 1.00 0.00 C ATOM 1683 CD2 LEU B 23 2.116 11.945 6.689 1.00 0.00 C ATOM 0 H LEU B 23 0.146 14.128 2.846 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.964 13.253 5.302 1.00 0.00 H new ATOM 0 HB2 LEU B 23 0.493 11.977 3.674 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.860 12.896 4.273 1.00 0.00 H new ATOM 0 HG LEU B 23 0.136 11.325 6.180 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.680 9.406 5.885 1.00 0.00 H new ATOM 0 HD12 LEU B 23 0.780 9.763 4.391 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.479 10.267 4.548 1.00 0.00 H new ATOM 0 HD21 LEU B 23 2.239 11.193 7.469 1.00 0.00 H new ATOM 0 HD22 LEU B 23 3.072 12.112 6.192 1.00 0.00 H new ATOM 0 HD23 LEU B 23 1.772 12.878 7.136 1.00 0.00 H new ATOM 1695 N GLU B 24 1.595 15.349 5.485 1.00 0.00 N ATOM 1696 CA GLU B 24 2.291 16.289 6.366 1.00 0.00 C ATOM 1697 C GLU B 24 1.387 17.442 6.791 1.00 0.00 C ATOM 1698 O GLU B 24 1.637 18.093 7.806 1.00 0.00 O ATOM 1699 CB GLU B 24 3.548 16.824 5.680 1.00 0.00 C ATOM 1700 CG GLU B 24 4.791 16.013 6.000 1.00 0.00 C ATOM 1701 CD GLU B 24 5.278 16.251 7.415 1.00 0.00 C ATOM 1702 OE1 GLU B 24 4.612 15.801 8.372 1.00 0.00 O ATOM 1703 OE2 GLU B 24 6.320 16.920 7.580 1.00 0.00 O ATOM 0 H GLU B 24 1.956 15.324 4.531 1.00 0.00 H new ATOM 0 HA GLU B 24 2.578 15.747 7.267 1.00 0.00 H new ATOM 0 HB2 GLU B 24 3.392 16.829 4.601 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.708 17.859 5.983 1.00 0.00 H new ATOM 0 HG2 GLU B 24 4.577 14.953 5.864 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.583 16.271 5.296 1.00 0.00 H new ATOM 1710 N LYS B 25 0.338 17.684 6.013 1.00 0.00 N ATOM 1711 CA LYS B 25 -0.657 18.697 6.349 1.00 0.00 C ATOM 1712 C LYS B 25 -1.292 18.389 7.704 1.00 0.00 C ATOM 1713 O LYS B 25 -1.601 19.295 8.481 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.747 18.735 5.274 1.00 0.00 C ATOM 1715 CG LYS B 25 -2.747 19.864 5.447 1.00 0.00 C ATOM 1716 CD LYS B 25 -4.037 19.582 4.695 1.00 0.00 C ATOM 1717 CE LYS B 25 -4.970 20.778 4.736 1.00 0.00 C ATOM 1718 NZ LYS B 25 -6.357 20.423 4.349 1.00 0.00 N ATOM 0 H LYS B 25 0.154 17.189 5.140 1.00 0.00 H new ATOM 0 HA LYS B 25 -0.161 19.666 6.399 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -1.275 18.828 4.296 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -2.282 17.785 5.280 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -2.964 20.001 6.506 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -2.311 20.796 5.088 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.809 19.331 3.659 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.533 18.715 5.132 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -4.972 21.200 5.741 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.595 21.552 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -6.912 21.292 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -6.342 19.877 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -6.792 19.851 5.101 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.484 17.103 7.976 1.00 0.00 N ATOM 1733 CA HIS B 26 -2.072 16.662 9.236 1.00 0.00 C ATOM 1734 C HIS B 26 -0.990 16.138 10.169 1.00 0.00 C ATOM 1735 O HIS B 26 -1.118 16.220 11.391 1.00 0.00 O ATOM 1736 CB HIS B 26 -3.123 15.574 8.995 1.00 0.00 C ATOM 1737 CG HIS B 26 -4.323 16.038 8.222 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -5.515 16.384 8.818 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -4.515 16.193 6.888 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -6.388 16.729 7.889 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.806 16.622 6.712 1.00 0.00 N ATOM 0 H HIS B 26 -1.240 16.345 7.338 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.560 17.519 9.701 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.657 14.747 8.459 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.453 15.184 9.958 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.788 16.012 6.110 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -7.406 17.045 8.064 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -6.245 16.825 5.814 1.00 0.00 H new ATOM 1750 N LYS B 27 0.074 15.611 9.565 1.00 0.00 N ATOM 1751 CA LYS B 27 1.207 15.037 10.285 1.00 0.00 C ATOM 1752 C LYS B 27 0.760 13.838 11.116 1.00 0.00 C ATOM 1753 O LYS B 27 0.382 13.969 12.283 1.00 0.00 O ATOM 1754 CB LYS B 27 1.899 16.089 11.155 1.00 0.00 C ATOM 1755 CG LYS B 27 3.248 15.642 11.699 1.00 0.00 C ATOM 1756 CD LYS B 27 3.982 16.789 12.375 1.00 0.00 C ATOM 1757 CE LYS B 27 4.265 17.927 11.401 1.00 0.00 C ATOM 1758 NZ LYS B 27 5.196 17.521 10.312 1.00 0.00 N ATOM 0 H LYS B 27 0.174 15.571 8.551 1.00 0.00 H new ATOM 0 HA LYS B 27 1.936 14.689 9.553 1.00 0.00 H new ATOM 0 HB2 LYS B 27 2.036 16.998 10.570 1.00 0.00 H new ATOM 0 HB3 LYS B 27 1.246 16.343 11.990 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.103 14.830 12.412 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.857 15.247 10.886 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.386 17.162 13.208 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.921 16.425 12.793 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.327 18.270 10.965 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.691 18.770 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.452 18.355 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 6.055 17.107 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.732 16.817 9.703 1.00 0.00 H new ATOM 1772 N ALA B 28 0.795 12.674 10.493 1.00 0.00 N ATOM 1773 CA ALA B 28 0.312 11.452 11.115 1.00 0.00 C ATOM 1774 C ALA B 28 1.471 10.574 11.572 1.00 0.00 C ATOM 1775 O ALA B 28 2.523 10.546 10.935 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.577 10.692 10.142 1.00 0.00 C ATOM 0 H ALA B 28 1.156 12.548 9.548 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.271 11.722 11.996 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.935 9.778 10.615 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.428 11.314 9.864 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.006 10.439 9.249 1.00 0.00 H new ATOM 1782 N PRO B 29 1.302 9.865 12.701 1.00 0.00 N ATOM 1783 CA PRO B 29 2.292 8.896 13.182 1.00 0.00 C ATOM 1784 C PRO B 29 2.490 7.756 12.187 1.00 0.00 C ATOM 1785 O PRO B 29 1.621 7.499 11.349 1.00 0.00 O ATOM 1786 CB PRO B 29 1.681 8.363 14.485 1.00 0.00 C ATOM 1787 CG PRO B 29 0.670 9.382 14.886 1.00 0.00 C ATOM 1788 CD PRO B 29 0.146 9.965 13.607 1.00 0.00 C ATOM 0 HA PRO B 29 3.275 9.348 13.318 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.219 7.388 14.333 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.442 8.239 15.255 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.133 8.928 15.467 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.119 10.153 15.512 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.712 9.407 13.231 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.177 10.998 13.737 1.00 0.00 H new ATOM 1796 N THR B 30 3.625 7.072 12.285 1.00 0.00 N ATOM 1797 CA THR B 30 3.941 5.970 11.380 1.00 0.00 C ATOM 1798 C THR B 30 2.841 4.908 11.396 1.00 0.00 C ATOM 1799 O THR B 30 2.408 4.432 10.345 1.00 0.00 O ATOM 1800 CB THR B 30 5.289 5.325 11.754 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.292 6.342 11.866 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.719 4.301 10.713 1.00 0.00 C ATOM 0 H THR B 30 4.344 7.261 12.984 1.00 0.00 H new ATOM 0 HA THR B 30 4.011 6.383 10.374 1.00 0.00 H new ATOM 0 HB THR B 30 5.168 4.812 12.708 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.149 5.931 12.106 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.674 3.864 11.005 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.966 3.516 10.643 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.825 4.789 9.744 1.00 0.00 H new ATOM 1810 N ASP B 31 2.382 4.562 12.597 1.00 0.00 N ATOM 1811 CA ASP B 31 1.304 3.590 12.764 1.00 0.00 C ATOM 1812 C ASP B 31 0.049 4.024 12.012 1.00 0.00 C ATOM 1813 O ASP B 31 -0.503 3.264 11.216 1.00 0.00 O ATOM 1814 CB ASP B 31 0.986 3.406 14.248 1.00 0.00 C ATOM 1815 CG ASP B 31 -0.147 2.425 14.486 1.00 0.00 C ATOM 1816 OD1 ASP B 31 0.112 1.204 14.496 1.00 0.00 O ATOM 1817 OD2 ASP B 31 -1.295 2.876 14.682 1.00 0.00 O ATOM 0 H ASP B 31 2.742 4.942 13.472 1.00 0.00 H new ATOM 0 HA ASP B 31 1.639 2.640 12.347 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.879 3.056 14.766 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.723 4.371 14.682 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.379 5.259 12.251 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.573 5.796 11.607 1.00 0.00 C ATOM 1824 C LEU B 32 -1.394 5.867 10.094 1.00 0.00 C ATOM 1825 O LEU B 32 -2.328 5.596 9.339 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.903 7.187 12.159 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.127 7.868 11.536 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.378 7.029 11.751 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.316 9.255 12.125 1.00 0.00 C ATOM 0 H LEU B 32 0.084 5.908 12.887 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.401 5.122 11.826 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.062 7.104 13.234 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.036 7.832 12.014 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.957 7.962 10.463 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.235 7.531 11.301 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.245 6.052 11.287 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.552 6.902 12.820 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.189 9.726 11.673 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.463 9.176 13.202 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.432 9.860 11.923 1.00 0.00 H new ATOM 1841 N SER B 33 -0.192 6.225 9.657 1.00 0.00 N ATOM 1842 CA SER B 33 0.112 6.302 8.235 1.00 0.00 C ATOM 1843 C SER B 33 -0.102 4.947 7.564 1.00 0.00 C ATOM 1844 O SER B 33 -0.735 4.860 6.513 1.00 0.00 O ATOM 1845 CB SER B 33 1.549 6.781 8.025 1.00 0.00 C ATOM 1846 OG SER B 33 1.748 8.056 8.608 1.00 0.00 O ATOM 0 H SER B 33 0.588 6.467 10.269 1.00 0.00 H new ATOM 0 HA SER B 33 -0.566 7.022 7.776 1.00 0.00 H new ATOM 0 HB2 SER B 33 2.243 6.064 8.464 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.769 6.826 6.958 1.00 0.00 H new ATOM 0 HG SER B 33 1.720 7.977 9.584 1.00 0.00 H new ATOM 1852 N LEU B 34 0.402 3.890 8.195 1.00 0.00 N ATOM 1853 CA LEU B 34 0.237 2.537 7.676 1.00 0.00 C ATOM 1854 C LEU B 34 -1.237 2.149 7.652 1.00 0.00 C ATOM 1855 O LEU B 34 -1.707 1.520 6.705 1.00 0.00 O ATOM 1856 CB LEU B 34 1.030 1.536 8.523 1.00 0.00 C ATOM 1857 CG LEU B 34 2.543 1.759 8.554 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.212 0.739 9.462 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.128 1.685 7.151 1.00 0.00 C ATOM 0 H LEU B 34 0.928 3.945 9.067 1.00 0.00 H new ATOM 0 HA LEU B 34 0.621 2.514 6.656 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.653 1.572 9.545 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.835 0.532 8.146 1.00 0.00 H new ATOM 0 HG LEU B 34 2.733 2.756 8.952 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.288 0.912 9.473 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.818 0.839 10.474 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.010 -0.266 9.092 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.205 1.846 7.197 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.926 0.703 6.724 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.672 2.453 6.526 1.00 0.00 H new ATOM 1871 N MET B 35 -1.960 2.547 8.695 1.00 0.00 N ATOM 1872 CA MET B 35 -3.387 2.267 8.798 1.00 0.00 C ATOM 1873 C MET B 35 -4.159 2.909 7.649 1.00 0.00 C ATOM 1874 O MET B 35 -4.923 2.239 6.957 1.00 0.00 O ATOM 1875 CB MET B 35 -3.936 2.773 10.139 1.00 0.00 C ATOM 1876 CG MET B 35 -3.432 1.999 11.348 1.00 0.00 C ATOM 1877 SD MET B 35 -4.071 0.309 11.419 1.00 0.00 S ATOM 1878 CE MET B 35 -5.820 0.619 11.647 1.00 0.00 C ATOM 0 H MET B 35 -1.577 3.067 9.484 1.00 0.00 H new ATOM 0 HA MET B 35 -3.519 1.187 8.741 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.668 3.823 10.256 1.00 0.00 H new ATOM 0 HB3 MET B 35 -5.025 2.722 10.116 1.00 0.00 H new ATOM 0 HG2 MET B 35 -2.343 1.969 11.326 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.718 2.528 12.257 1.00 0.00 H new ATOM 0 HE1 MET B 35 -6.297 -0.271 12.057 1.00 0.00 H new ATOM 0 HE2 MET B 35 -5.955 1.453 12.336 1.00 0.00 H new ATOM 0 HE3 MET B 35 -6.274 0.864 10.687 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.945 4.206 7.443 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.670 4.947 6.415 1.00 0.00 C ATOM 1890 C VAL B 36 -4.252 4.512 5.010 1.00 0.00 C ATOM 1891 O VAL B 36 -5.103 4.228 4.164 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.469 6.472 6.563 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.227 7.227 5.480 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.910 6.939 7.943 1.00 0.00 C ATOM 0 H VAL B 36 -3.277 4.765 7.973 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.727 4.718 6.555 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.406 6.685 6.448 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -5.070 8.298 5.605 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.863 6.919 4.500 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.291 7.005 5.558 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.761 8.015 8.028 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.965 6.707 8.086 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.320 6.430 8.705 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.945 4.444 4.768 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.435 4.082 3.450 1.00 0.00 C ATOM 1906 C LEU B 37 -2.872 2.676 3.063 1.00 0.00 C ATOM 1907 O LEU B 37 -3.386 2.462 1.966 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.908 4.194 3.403 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.352 5.612 3.569 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.169 5.595 3.545 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.893 6.530 2.480 1.00 0.00 C ATOM 0 H LEU B 37 -2.224 4.634 5.464 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.855 4.784 2.729 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.489 3.563 4.187 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.560 3.794 2.451 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.677 5.997 4.536 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.546 6.611 3.664 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.539 4.973 4.360 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.513 5.189 2.594 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.487 7.533 2.614 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.599 6.148 1.503 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.981 6.568 2.543 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.691 1.725 3.976 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.084 0.354 3.709 1.00 0.00 C ATOM 1925 C GLY B 38 -4.572 0.232 3.457 1.00 0.00 C ATOM 1926 O GLY B 38 -5.005 -0.517 2.580 1.00 0.00 O ATOM 0 H GLY B 38 -2.279 1.881 4.896 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.537 -0.018 2.843 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.806 -0.275 4.555 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.349 0.986 4.223 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.798 1.005 4.071 1.00 0.00 C ATOM 1932 C ASN B 39 -7.187 1.514 2.687 1.00 0.00 C ATOM 1933 O ASN B 39 -7.974 0.882 1.980 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.426 1.896 5.149 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.942 1.907 5.098 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.550 2.715 4.399 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.564 1.014 5.855 1.00 0.00 N ATOM 0 H ASN B 39 -4.997 1.596 4.961 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.170 -0.013 4.184 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.103 1.551 6.131 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.056 2.915 5.032 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.583 0.981 5.871 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.023 0.360 6.421 1.00 0.00 H new ATOM 1944 N MET B 40 -6.608 2.643 2.298 1.00 0.00 N ATOM 1945 CA MET B 40 -6.949 3.280 1.035 1.00 0.00 C ATOM 1946 C MET B 40 -6.527 2.416 -0.150 1.00 0.00 C ATOM 1947 O MET B 40 -7.268 2.293 -1.121 1.00 0.00 O ATOM 1948 CB MET B 40 -6.306 4.664 0.938 1.00 0.00 C ATOM 1949 CG MET B 40 -6.895 5.520 -0.172 1.00 0.00 C ATOM 1950 SD MET B 40 -6.287 7.218 -0.156 1.00 0.00 S ATOM 1951 CE MET B 40 -4.623 6.996 -0.771 1.00 0.00 C ATOM 0 H MET B 40 -5.899 3.136 2.841 1.00 0.00 H new ATOM 0 HA MET B 40 -8.032 3.395 1.002 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.426 5.181 1.890 1.00 0.00 H new ATOM 0 HB3 MET B 40 -5.235 4.549 0.771 1.00 0.00 H new ATOM 0 HG2 MET B 40 -6.662 5.066 -1.135 1.00 0.00 H new ATOM 0 HG3 MET B 40 -7.981 5.529 -0.078 1.00 0.00 H new ATOM 0 HE1 MET B 40 -4.278 7.922 -1.231 1.00 0.00 H new ATOM 0 HE2 MET B 40 -3.962 6.733 0.055 1.00 0.00 H new ATOM 0 HE3 MET B 40 -4.613 6.197 -1.513 1.00 0.00 H new ATOM 1961 N VAL B 41 -5.342 1.815 -0.064 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.848 0.945 -1.132 1.00 0.00 C ATOM 1963 C VAL B 41 -5.784 -0.245 -1.341 1.00 0.00 C ATOM 1964 O VAL B 41 -6.175 -0.547 -2.469 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.417 0.430 -0.837 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.984 -0.604 -1.870 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.427 1.587 -0.807 1.00 0.00 C ATOM 0 H VAL B 41 -4.708 1.913 0.729 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.817 1.545 -2.042 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.429 -0.048 0.143 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.976 -0.949 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.671 -1.450 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.995 -0.154 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.428 1.205 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.428 2.092 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.716 2.293 -0.028 1.00 0.00 H new ATOM 1977 N THR B 42 -6.155 -0.896 -0.243 1.00 0.00 N ATOM 1978 CA THR B 42 -7.043 -2.050 -0.299 1.00 0.00 C ATOM 1979 C THR B 42 -8.385 -1.675 -0.931 1.00 0.00 C ATOM 1980 O THR B 42 -8.855 -2.342 -1.856 1.00 0.00 O ATOM 1981 CB THR B 42 -7.273 -2.636 1.110 1.00 0.00 C ATOM 1982 OG1 THR B 42 -6.011 -2.897 1.739 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.085 -3.923 1.043 1.00 0.00 C ATOM 0 H THR B 42 -5.853 -0.643 0.698 1.00 0.00 H new ATOM 0 HA THR B 42 -6.563 -2.807 -0.919 1.00 0.00 H new ATOM 0 HB THR B 42 -7.833 -1.906 1.695 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.636 -2.058 2.081 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.232 -4.314 2.050 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.054 -3.718 0.588 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.551 -4.659 0.443 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.980 -0.587 -0.448 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.268 -0.125 -0.963 1.00 0.00 C ATOM 1993 C ASN B 43 -10.160 0.275 -2.431 1.00 0.00 C ATOM 1994 O ASN B 43 -11.052 -0.021 -3.231 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.793 1.055 -0.139 1.00 0.00 C ATOM 1996 CG ASN B 43 -11.274 0.634 1.236 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -11.765 -0.479 1.422 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -11.136 1.519 2.211 1.00 0.00 N ATOM 0 H ASN B 43 -8.592 -0.009 0.298 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.972 -0.953 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.004 1.799 -0.032 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -11.612 1.533 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -11.442 1.288 3.156 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -10.724 2.432 2.017 1.00 0.00 H new ATOM 2005 N LEU B 44 -9.060 0.941 -2.776 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.811 1.374 -4.146 1.00 0.00 C ATOM 2007 C LEU B 44 -8.869 0.193 -5.107 1.00 0.00 C ATOM 2008 O LEU B 44 -9.659 0.188 -6.047 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.442 2.052 -4.247 1.00 0.00 C ATOM 2010 CG LEU B 44 -7.043 2.518 -5.651 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.959 3.636 -6.128 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.591 2.970 -5.666 1.00 0.00 C ATOM 0 H LEU B 44 -8.322 1.193 -2.118 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.588 2.087 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.432 2.914 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.684 1.358 -3.883 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.150 1.677 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.658 3.952 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.988 3.277 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.888 4.481 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.322 3.298 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.460 3.796 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.949 2.140 -5.371 1.00 0.00 H new ATOM 2024 N ILE B 45 -8.041 -0.812 -4.849 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.958 -1.983 -5.713 1.00 0.00 C ATOM 2026 C ILE B 45 -9.279 -2.752 -5.720 1.00 0.00 C ATOM 2027 O ILE B 45 -9.731 -3.228 -6.763 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.823 -2.929 -5.255 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.490 -2.177 -5.216 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.723 -4.140 -6.174 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.332 -3.015 -4.712 1.00 0.00 C ATOM 0 H ILE B 45 -7.415 -0.839 -4.044 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.744 -1.628 -6.721 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.056 -3.283 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.257 -1.816 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.597 -1.300 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.918 -4.791 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.665 -4.688 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.514 -3.809 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.422 -2.415 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.543 -3.354 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.198 -3.879 -5.363 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.902 -2.833 -4.551 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.107 -3.638 -4.358 1.00 0.00 C ATOM 2045 C ASN B 46 -12.248 -3.205 -5.280 1.00 0.00 C ATOM 2046 O ASN B 46 -12.941 -4.045 -5.858 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.565 -3.547 -2.899 1.00 0.00 C ATOM 2048 CG ASN B 46 -12.654 -4.549 -2.556 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -12.705 -5.648 -3.106 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -13.532 -4.177 -1.635 1.00 0.00 N ATOM 0 H ASN B 46 -9.590 -2.345 -3.711 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.853 -4.668 -4.609 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -10.709 -3.710 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -11.930 -2.539 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -14.282 -4.811 -1.360 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.457 -3.257 -1.201 1.00 0.00 H new ATOM 2057 N THR B 47 -12.435 -1.901 -5.431 1.00 0.00 N ATOM 2058 CA THR B 47 -13.589 -1.391 -6.156 1.00 0.00 C ATOM 2059 C THR B 47 -13.217 -0.882 -7.555 1.00 0.00 C ATOM 2060 O THR B 47 -14.003 -0.183 -8.193 1.00 0.00 O ATOM 2061 CB THR B 47 -14.277 -0.259 -5.353 1.00 0.00 C ATOM 2062 OG1 THR B 47 -15.539 0.089 -5.941 1.00 0.00 O ATOM 2063 CG2 THR B 47 -13.391 0.977 -5.282 1.00 0.00 C ATOM 0 H THR B 47 -11.809 -1.184 -5.065 1.00 0.00 H new ATOM 0 HA THR B 47 -14.281 -2.224 -6.279 1.00 0.00 H new ATOM 0 HB THR B 47 -14.445 -0.630 -4.342 1.00 0.00 H new ATOM 0 HG1 THR B 47 -15.453 0.102 -6.917 1.00 0.00 H new ATOM 0 HG21 THR B 47 -13.898 1.756 -4.713 1.00 0.00 H new ATOM 0 HG22 THR B 47 -12.451 0.723 -4.792 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.189 1.338 -6.290 1.00 0.00 H new ATOM 2071 N SER B 48 -12.038 -1.242 -8.050 1.00 0.00 N ATOM 2072 CA SER B 48 -11.616 -0.764 -9.362 1.00 0.00 C ATOM 2073 C SER B 48 -11.364 -1.913 -10.340 1.00 0.00 C ATOM 2074 O SER B 48 -11.790 -1.856 -11.496 1.00 0.00 O ATOM 2075 CB SER B 48 -10.369 0.114 -9.234 1.00 0.00 C ATOM 2076 OG SER B 48 -9.333 -0.559 -8.541 1.00 0.00 O ATOM 0 H SER B 48 -11.370 -1.850 -7.575 1.00 0.00 H new ATOM 0 HA SER B 48 -12.432 -0.167 -9.768 1.00 0.00 H new ATOM 0 HB2 SER B 48 -10.020 0.399 -10.226 1.00 0.00 H new ATOM 0 HB3 SER B 48 -10.622 1.035 -8.708 1.00 0.00 H new ATOM 0 HG SER B 48 -9.378 -0.335 -7.588 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.673 -2.949 -9.883 1.00 0.00 N ATOM 2083 CA ILE B 49 -10.297 -4.050 -10.744 1.00 0.00 C ATOM 2084 C ILE B 49 -11.206 -5.263 -10.495 1.00 0.00 C ATOM 2085 O ILE B 49 -11.980 -5.281 -9.533 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.814 -4.414 -10.509 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -8.259 -5.222 -11.671 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -8.646 -5.185 -9.211 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -8.186 -4.451 -12.972 1.00 0.00 C ATOM 0 H ILE B 49 -10.363 -3.045 -8.916 1.00 0.00 H new ATOM 0 HA ILE B 49 -10.421 -3.747 -11.784 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.253 -3.482 -10.437 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.261 -5.575 -11.412 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -8.881 -6.105 -11.817 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -7.594 -5.430 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.994 -4.575 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -9.230 -6.104 -9.256 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -7.780 -5.094 -13.753 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -9.185 -4.121 -13.256 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.540 -3.583 -12.845 1.00 0.00 H new ATOM 2101 N ALA B 50 -11.113 -6.270 -11.361 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.963 -7.453 -11.272 1.00 0.00 C ATOM 2103 C ALA B 50 -11.615 -8.306 -10.048 1.00 0.00 C ATOM 2104 O ALA B 50 -10.478 -8.284 -9.575 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.842 -8.273 -12.548 1.00 0.00 C ATOM 0 H ALA B 50 -10.452 -6.289 -12.138 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.995 -7.122 -11.155 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -12.479 -9.155 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -12.154 -7.669 -13.400 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.806 -8.584 -12.684 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.598 -9.078 -9.532 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.452 -9.892 -8.315 1.00 0.00 C ATOM 2113 C PRO B 51 -11.183 -10.743 -8.293 1.00 0.00 C ATOM 2114 O PRO B 51 -10.367 -10.624 -7.378 1.00 0.00 O ATOM 2115 CB PRO B 51 -13.698 -10.794 -8.317 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.359 -10.577 -9.640 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.949 -9.211 -10.094 1.00 0.00 C ATOM 0 HA PRO B 51 -12.367 -9.254 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -13.423 -11.840 -8.185 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.369 -10.535 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -14.049 -11.335 -10.359 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.443 -10.648 -9.550 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.946 -9.129 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -14.622 -8.440 -9.718 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.018 -11.596 -9.296 1.00 0.00 N ATOM 2126 CA ALA B 52 -9.861 -12.483 -9.366 1.00 0.00 C ATOM 2127 C ALA B 52 -8.564 -11.689 -9.458 1.00 0.00 C ATOM 2128 O ALA B 52 -7.556 -12.044 -8.844 1.00 0.00 O ATOM 2129 CB ALA B 52 -9.988 -13.419 -10.558 1.00 0.00 C ATOM 0 H ALA B 52 -11.671 -11.693 -10.074 1.00 0.00 H new ATOM 0 HA ALA B 52 -9.832 -13.074 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -9.119 -14.076 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -10.892 -14.019 -10.454 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.044 -12.834 -11.476 1.00 0.00 H new ATOM 2135 N GLN B 53 -8.607 -10.594 -10.204 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.425 -9.773 -10.427 1.00 0.00 C ATOM 2137 C GLN B 53 -7.022 -9.023 -9.161 1.00 0.00 C ATOM 2138 O GLN B 53 -5.874 -8.603 -9.023 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.675 -8.800 -11.575 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.869 -9.493 -12.915 1.00 0.00 C ATOM 2141 CD GLN B 53 -8.289 -8.542 -14.015 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -8.971 -7.549 -13.768 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -7.879 -8.834 -15.237 1.00 0.00 N ATOM 0 H GLN B 53 -9.450 -10.253 -10.666 1.00 0.00 H new ATOM 0 HA GLN B 53 -6.598 -10.431 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -8.559 -8.203 -11.351 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -6.834 -8.110 -11.648 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.939 -9.985 -13.202 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.623 -10.273 -12.809 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.314 -9.668 -15.400 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.127 -8.226 -16.017 1.00 0.00 H new ATOM 2152 N ARG B 54 -7.963 -8.863 -8.235 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.659 -8.259 -6.941 1.00 0.00 C ATOM 2154 C ARG B 54 -6.613 -9.081 -6.200 1.00 0.00 C ATOM 2155 O ARG B 54 -5.738 -8.531 -5.534 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.917 -8.128 -6.079 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.830 -6.989 -6.498 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.982 -6.810 -5.522 1.00 0.00 C ATOM 2159 NE ARG B 54 -12.069 -7.765 -5.752 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.417 -8.727 -4.900 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -11.746 -8.894 -3.771 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -13.450 -9.519 -5.171 1.00 0.00 N ATOM 0 H ARG B 54 -8.937 -9.141 -8.355 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.264 -7.261 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.475 -9.063 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.621 -7.981 -5.040 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.256 -6.064 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -10.224 -7.185 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.612 -6.925 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.371 -5.795 -5.607 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.594 -7.688 -6.623 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -10.959 -8.284 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.016 -9.632 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.979 -9.391 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.714 -10.255 -4.516 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.703 -10.399 -6.328 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.730 -11.290 -5.712 1.00 0.00 C ATOM 2178 C GLN B 55 -4.378 -11.152 -6.399 1.00 0.00 C ATOM 2179 O GLN B 55 -3.342 -11.055 -5.741 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.209 -12.744 -5.779 1.00 0.00 C ATOM 2181 CG GLN B 55 -7.363 -13.059 -4.836 1.00 0.00 C ATOM 2182 CD GLN B 55 -6.928 -13.238 -3.387 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -7.556 -13.979 -2.631 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -5.855 -12.573 -2.987 1.00 0.00 N ATOM 0 H GLN B 55 -7.439 -10.873 -6.852 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.624 -11.009 -4.664 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -6.516 -12.968 -6.801 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.372 -13.403 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -8.097 -12.255 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -7.860 -13.968 -5.173 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -5.358 -11.967 -3.640 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.526 -12.667 -2.026 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.408 -11.115 -7.724 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.195 -11.007 -8.524 1.00 0.00 C ATOM 2195 C ALA B 56 -2.449 -9.710 -8.224 1.00 0.00 C ATOM 2196 O ALA B 56 -1.234 -9.715 -8.012 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.535 -11.098 -10.005 1.00 0.00 C ATOM 0 H ALA B 56 -5.267 -11.159 -8.272 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.538 -11.836 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.621 -11.016 -10.594 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.014 -12.055 -10.210 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.213 -10.288 -10.273 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.184 -8.605 -8.195 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.596 -7.301 -7.918 1.00 0.00 C ATOM 2205 C ILE B 57 -2.064 -7.237 -6.488 1.00 0.00 C ATOM 2206 O ILE B 57 -0.979 -6.708 -6.251 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.607 -6.155 -8.154 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.023 -6.114 -9.628 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -3.016 -4.815 -7.731 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -5.011 -5.017 -9.953 1.00 0.00 C ATOM 0 H ILE B 57 -4.190 -8.586 -8.360 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.766 -7.170 -8.613 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.490 -6.344 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -3.133 -5.983 -10.243 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.459 -7.075 -9.900 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.745 -4.024 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.763 -4.847 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.116 -4.614 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -5.257 -5.052 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -5.918 -5.158 -9.365 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.571 -4.049 -9.714 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.819 -7.794 -5.546 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.404 -7.812 -4.146 1.00 0.00 C ATOM 2224 C ALA B 58 -1.070 -8.535 -3.988 1.00 0.00 C ATOM 2225 O ALA B 58 -0.152 -8.036 -3.333 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.472 -8.472 -3.283 1.00 0.00 C ATOM 0 H ALA B 58 -3.720 -8.238 -5.725 1.00 0.00 H new ATOM 0 HA ALA B 58 -2.276 -6.782 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -3.147 -8.477 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.405 -7.915 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.629 -9.497 -3.619 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.965 -9.704 -4.608 1.00 0.00 N ATOM 2233 CA ASN B 59 0.265 -10.486 -4.575 1.00 0.00 C ATOM 2234 C ASN B 59 1.396 -9.739 -5.264 1.00 0.00 C ATOM 2235 O ASN B 59 2.526 -9.712 -4.775 1.00 0.00 O ATOM 2236 CB ASN B 59 0.058 -11.847 -5.245 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.704 -12.820 -4.369 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -0.572 -12.809 -3.143 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.518 -13.661 -4.987 1.00 0.00 N ATOM 0 H ASN B 59 -1.721 -10.133 -5.142 1.00 0.00 H new ATOM 0 HA ASN B 59 0.534 -10.645 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.482 -11.708 -6.182 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.028 -12.275 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -2.064 -14.332 -4.447 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -1.599 -13.638 -6.004 1.00 0.00 H new ATOM 2246 N SER B 60 1.079 -9.123 -6.396 1.00 0.00 N ATOM 2247 CA SER B 60 2.059 -8.370 -7.165 1.00 0.00 C ATOM 2248 C SER B 60 2.597 -7.200 -6.342 1.00 0.00 C ATOM 2249 O SER B 60 3.807 -6.976 -6.281 1.00 0.00 O ATOM 2250 CB SER B 60 1.427 -7.864 -8.468 1.00 0.00 C ATOM 2251 OG SER B 60 2.398 -7.324 -9.350 1.00 0.00 O ATOM 0 H SER B 60 0.144 -9.131 -6.803 1.00 0.00 H new ATOM 0 HA SER B 60 2.893 -9.027 -7.412 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.904 -8.684 -8.961 1.00 0.00 H new ATOM 0 HB3 SER B 60 0.681 -7.103 -8.239 1.00 0.00 H new ATOM 0 HG SER B 60 1.959 -7.013 -10.169 1.00 0.00 H new ATOM 2257 N PHE B 61 1.690 -6.476 -5.694 1.00 0.00 N ATOM 2258 CA PHE B 61 2.055 -5.333 -4.865 1.00 0.00 C ATOM 2259 C PHE B 61 2.917 -5.779 -3.689 1.00 0.00 C ATOM 2260 O PHE B 61 3.943 -5.164 -3.394 1.00 0.00 O ATOM 2261 CB PHE B 61 0.792 -4.621 -4.365 1.00 0.00 C ATOM 2262 CG PHE B 61 1.063 -3.369 -3.576 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.274 -2.163 -4.223 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.102 -3.398 -2.189 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.519 -1.009 -3.503 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.347 -2.247 -1.465 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.556 -1.051 -2.124 1.00 0.00 C ATOM 0 H PHE B 61 0.688 -6.663 -5.728 1.00 0.00 H new ATOM 0 HA PHE B 61 2.635 -4.635 -5.468 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.167 -4.369 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.220 -5.311 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.247 -2.124 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.939 -4.331 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.681 -0.074 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.375 -2.282 -0.386 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.748 -0.150 -1.561 1.00 0.00 H new ATOM 2277 N ALA B 62 2.503 -6.858 -3.033 1.00 0.00 N ATOM 2278 CA ALA B 62 3.243 -7.398 -1.896 1.00 0.00 C ATOM 2279 C ALA B 62 4.661 -7.785 -2.303 1.00 0.00 C ATOM 2280 O ALA B 62 5.628 -7.462 -1.611 1.00 0.00 O ATOM 2281 CB ALA B 62 2.514 -8.600 -1.315 1.00 0.00 C ATOM 0 H ALA B 62 1.657 -7.377 -3.269 1.00 0.00 H new ATOM 0 HA ALA B 62 3.308 -6.623 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.077 -8.992 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.521 -8.297 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.421 -9.373 -2.078 1.00 0.00 H new ATOM 2287 N ARG B 63 4.775 -8.468 -3.439 1.00 0.00 N ATOM 2288 CA ARG B 63 6.074 -8.869 -3.963 1.00 0.00 C ATOM 2289 C ARG B 63 6.913 -7.652 -4.317 1.00 0.00 C ATOM 2290 O ARG B 63 8.088 -7.575 -3.959 1.00 0.00 O ATOM 2291 CB ARG B 63 5.917 -9.755 -5.199 1.00 0.00 C ATOM 2292 CG ARG B 63 5.336 -11.125 -4.903 1.00 0.00 C ATOM 2293 CD ARG B 63 5.301 -11.987 -6.154 1.00 0.00 C ATOM 2294 NE ARG B 63 6.636 -12.180 -6.719 1.00 0.00 N ATOM 2295 CZ ARG B 63 6.916 -13.039 -7.694 1.00 0.00 C ATOM 2296 NH1 ARG B 63 5.952 -13.765 -8.248 1.00 0.00 N ATOM 2297 NH2 ARG B 63 8.162 -13.169 -8.128 1.00 0.00 N ATOM 0 H ARG B 63 3.982 -8.755 -4.013 1.00 0.00 H new ATOM 0 HA ARG B 63 6.580 -9.437 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.276 -9.247 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG B 63 6.891 -9.879 -5.672 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.932 -11.618 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.328 -11.017 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.864 -12.957 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG B 63 4.655 -11.521 -6.898 1.00 0.00 H new ATOM 0 HE ARG B 63 7.400 -11.620 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG B 63 4.989 -13.665 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.174 -14.422 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG B 63 8.907 -12.609 -7.714 1.00 0.00 H new ATOM 0 HH22 ARG B 63 8.375 -13.829 -8.876 1.00 0.00 H new ATOM 2311 N ALA B 64 6.301 -6.701 -5.016 1.00 0.00 N ATOM 2312 CA ALA B 64 6.987 -5.480 -5.421 1.00 0.00 C ATOM 2313 C ALA B 64 7.539 -4.740 -4.210 1.00 0.00 C ATOM 2314 O ALA B 64 8.687 -4.303 -4.217 1.00 0.00 O ATOM 2315 CB ALA B 64 6.052 -4.579 -6.213 1.00 0.00 C ATOM 0 H ALA B 64 5.327 -6.754 -5.314 1.00 0.00 H new ATOM 0 HA ALA B 64 7.824 -5.759 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.582 -3.673 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.710 -5.104 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.193 -4.314 -5.596 1.00 0.00 H new ATOM 2321 N LEU B 65 6.720 -4.624 -3.170 1.00 0.00 N ATOM 2322 CA LEU B 65 7.120 -3.964 -1.932 1.00 0.00 C ATOM 2323 C LEU B 65 8.350 -4.642 -1.329 1.00 0.00 C ATOM 2324 O LEU B 65 9.379 -4.002 -1.101 1.00 0.00 O ATOM 2325 CB LEU B 65 5.956 -3.990 -0.934 1.00 0.00 C ATOM 2326 CG LEU B 65 6.225 -3.324 0.418 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.452 -1.831 0.245 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.071 -3.582 1.373 1.00 0.00 C ATOM 0 H LEU B 65 5.765 -4.983 -3.161 1.00 0.00 H new ATOM 0 HA LEU B 65 7.379 -2.929 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.097 -3.502 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU B 65 5.676 -5.029 -0.757 1.00 0.00 H new ATOM 0 HG LEU B 65 7.130 -3.759 0.843 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.641 -1.377 1.218 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.311 -1.667 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.567 -1.378 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.277 -3.102 2.330 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.152 -3.173 0.952 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.956 -4.656 1.523 1.00 0.00 H new ATOM 2340 N GLN B 66 8.242 -5.949 -1.112 1.00 0.00 N ATOM 2341 CA GLN B 66 9.314 -6.727 -0.498 1.00 0.00 C ATOM 2342 C GLN B 66 10.587 -6.675 -1.347 1.00 0.00 C ATOM 2343 O GLN B 66 11.696 -6.676 -0.818 1.00 0.00 O ATOM 2344 CB GLN B 66 8.862 -8.179 -0.313 1.00 0.00 C ATOM 2345 CG GLN B 66 9.814 -9.013 0.523 1.00 0.00 C ATOM 2346 CD GLN B 66 9.307 -10.422 0.760 1.00 0.00 C ATOM 2347 OE1 GLN B 66 8.615 -11.001 -0.078 1.00 0.00 O ATOM 2348 NE2 GLN B 66 9.636 -10.975 1.917 1.00 0.00 N ATOM 0 H GLN B 66 7.416 -6.496 -1.354 1.00 0.00 H new ATOM 0 HA GLN B 66 9.540 -6.293 0.476 1.00 0.00 H new ATOM 0 HB2 GLN B 66 7.878 -8.187 0.156 1.00 0.00 H new ATOM 0 HB3 GLN B 66 8.751 -8.643 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN B 66 10.783 -9.059 0.025 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.972 -8.522 1.483 1.00 0.00 H new ATOM 0 HE21 GLN B 66 10.212 -10.460 2.583 1.00 0.00 H new ATOM 0 HE22 GLN B 66 9.314 -11.916 2.142 1.00 0.00 H new ATOM 2357 N SER B 67 10.419 -6.601 -2.663 1.00 0.00 N ATOM 2358 CA SER B 67 11.553 -6.586 -3.581 1.00 0.00 C ATOM 2359 C SER B 67 12.130 -5.173 -3.729 1.00 0.00 C ATOM 2360 O SER B 67 13.200 -4.987 -4.318 1.00 0.00 O ATOM 2361 CB SER B 67 11.129 -7.130 -4.948 1.00 0.00 C ATOM 2362 OG SER B 67 10.498 -8.398 -4.816 1.00 0.00 O ATOM 0 H SER B 67 9.508 -6.550 -3.119 1.00 0.00 H new ATOM 0 HA SER B 67 12.333 -7.225 -3.167 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.447 -6.428 -5.428 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.002 -7.219 -5.595 1.00 0.00 H new ATOM 0 HG SER B 67 9.607 -8.281 -4.424 1.00 0.00 H new ATOM 2368 N SER B 68 11.419 -4.181 -3.200 1.00 0.00 N ATOM 2369 CA SER B 68 11.888 -2.802 -3.243 1.00 0.00 C ATOM 2370 C SER B 68 12.631 -2.447 -1.959 1.00 0.00 C ATOM 2371 O SER B 68 13.410 -1.490 -1.925 1.00 0.00 O ATOM 2372 CB SER B 68 10.718 -1.840 -3.466 1.00 0.00 C ATOM 2373 OG SER B 68 10.073 -2.103 -4.702 1.00 0.00 O ATOM 0 H SER B 68 10.518 -4.307 -2.738 1.00 0.00 H new ATOM 0 HA SER B 68 12.579 -2.704 -4.080 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.002 -1.937 -2.650 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.080 -0.812 -3.452 1.00 0.00 H new ATOM 0 HG SER B 68 9.376 -2.779 -4.570 1.00 0.00 H new ATOM 2379 N ILE B 69 12.384 -3.216 -0.905 1.00 0.00 N ATOM 2380 CA ILE B 69 13.097 -3.036 0.352 1.00 0.00 C ATOM 2381 C ILE B 69 14.523 -3.568 0.226 1.00 0.00 C ATOM 2382 O ILE B 69 14.756 -4.776 0.258 1.00 0.00 O ATOM 2383 CB ILE B 69 12.379 -3.744 1.523 1.00 0.00 C ATOM 2384 CG1 ILE B 69 10.939 -3.237 1.660 1.00 0.00 C ATOM 2385 CG2 ILE B 69 13.141 -3.530 2.821 1.00 0.00 C ATOM 2386 CD1 ILE B 69 10.833 -1.751 1.946 1.00 0.00 C ATOM 0 H ILE B 69 11.696 -3.969 -0.897 1.00 0.00 H new ATOM 0 HA ILE B 69 13.121 -1.968 0.568 1.00 0.00 H new ATOM 0 HB ILE B 69 12.349 -4.813 1.310 1.00 0.00 H new ATOM 0 HG12 ILE B 69 10.397 -3.459 0.741 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.446 -3.787 2.461 1.00 0.00 H new ATOM 0 HG21 ILE B 69 12.622 -4.035 3.635 1.00 0.00 H new ATOM 0 HG22 ILE B 69 14.147 -3.938 2.724 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.201 -2.463 3.036 1.00 0.00 H new ATOM 0 HD11 ILE B 69 9.783 -1.470 2.029 1.00 0.00 H new ATOM 0 HD12 ILE B 69 11.344 -1.523 2.881 1.00 0.00 H new ATOM 0 HD13 ILE B 69 11.295 -1.190 1.134 1.00 0.00 H new