USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 546 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 433 SER OG : rot 160:sc= -1.09 USER MOD Set 1.2: A 452 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 419 GLN : amide:sc= -0.706 K(o=-0.27,f=0.35) USER MOD Set 2.2: A 423 GLN : amide:sc= 0.432 X(o=-0.27,f=-0.085) USER MOD Single : A 398 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 399 LYS NZ :NH3+ -165:sc= -0.0322 (180deg=-0.28) USER MOD Single : A 406 ASN : amide:sc= -0.0501 X(o=-0.05,f=0.29) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 414 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.3) USER MOD Single : A 424 MET CE :methyl -165:sc=-0.00509 (180deg=-0.351) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 435 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00096) USER MOD Single : A 453 TYR OH : rot 26:sc= 0.752 USER MOD Single : A 455 ASN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 460 GLN : amide:sc= -0.223 K(o=-0.22,f=-2.2!) USER MOD Single : A 464 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.634 K(o=0.63,f=-0.13) USER MOD Single : A 470 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.012) USER MOD Single : A 473 MET CE :methyl 162:sc= -0.0636 (180deg=-0.457) USER MOD Single : A 474 LYS NZ :NH3+ 169:sc= -0.0464 (180deg=-0.231) USER MOD Single : A 477 LYS NZ :NH3+ -170:sc= 0.521 (180deg=0.469) USER MOD Single : A 479 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.893 7.034 7.835 1.00 30.31 N ATOM 57 CA GLN A 398 0.068 7.612 6.759 1.00 43.23 C ATOM 58 C GLN A 398 -0.450 9.016 7.199 1.00 32.44 C ATOM 59 O GLN A 398 -1.387 9.115 7.997 1.00 44.11 O ATOM 60 CB GLN A 398 -1.087 6.612 6.387 1.00 22.33 C ATOM 61 CG GLN A 398 -2.333 7.165 5.598 1.00 71.54 C ATOM 62 CD GLN A 398 -2.029 7.658 4.176 1.00 42.21 C ATOM 63 OE1 GLN A 398 -1.130 7.135 3.518 1.00 23.31 O ATOM 64 NE2 GLN A 398 -2.818 8.634 3.663 1.00 13.03 N ATOM 0 HA GLN A 398 0.659 7.761 5.855 1.00 43.23 H new ATOM 0 HB2 GLN A 398 -0.651 5.807 5.796 1.00 22.33 H new ATOM 0 HB3 GLN A 398 -1.451 6.167 7.313 1.00 22.33 H new ATOM 0 HG2 GLN A 398 -3.087 6.380 5.542 1.00 71.54 H new ATOM 0 HG3 GLN A 398 -2.770 7.986 6.166 1.00 71.54 H new ATOM 0 HE21 GLN A 398 -3.555 9.047 4.235 1.00 13.03 H new ATOM 0 HE22 GLN A 398 -2.675 8.955 2.705 1.00 13.03 H new ATOM 73 N LYS A 399 0.201 10.097 6.707 1.00 71.24 N ATOM 74 CA LYS A 399 -0.108 11.478 7.064 1.00 5.33 C ATOM 75 C LYS A 399 0.208 12.431 5.860 1.00 12.41 C ATOM 76 O LYS A 399 1.355 12.819 5.634 1.00 25.52 O ATOM 77 CB LYS A 399 0.556 11.971 8.414 1.00 64.04 C ATOM 78 CG LYS A 399 1.920 11.355 8.886 1.00 31.01 C ATOM 79 CD LYS A 399 3.056 11.530 7.887 1.00 22.50 C ATOM 80 CE LYS A 399 4.448 11.126 8.447 1.00 31.22 C ATOM 81 NZ LYS A 399 4.824 11.969 9.617 1.00 1.23 N ATOM 0 H LYS A 399 0.968 10.018 6.039 1.00 71.24 H new ATOM 0 HA LYS A 399 -1.178 11.513 7.269 1.00 5.33 H new ATOM 0 HB2 LYS A 399 0.698 13.049 8.331 1.00 64.04 H new ATOM 0 HB3 LYS A 399 -0.168 11.805 9.211 1.00 64.04 H new ATOM 0 HG2 LYS A 399 2.207 11.815 9.832 1.00 31.01 H new ATOM 0 HG3 LYS A 399 1.780 10.291 9.079 1.00 31.01 H new ATOM 0 HD2 LYS A 399 2.844 10.933 7.000 1.00 22.50 H new ATOM 0 HD3 LYS A 399 3.091 12.572 7.569 1.00 22.50 H new ATOM 0 HE2 LYS A 399 4.434 10.077 8.741 1.00 31.22 H new ATOM 0 HE3 LYS A 399 5.201 11.228 7.665 1.00 31.22 H new ATOM 0 HZ1 LYS A 399 5.840 11.860 9.811 1.00 1.23 H new ATOM 0 HZ2 LYS A 399 4.617 12.966 9.407 1.00 1.23 H new ATOM 0 HZ3 LYS A 399 4.278 11.670 10.450 1.00 1.23 H new ATOM 95 N GLU A 400 -0.821 12.750 5.054 1.00 13.24 N ATOM 96 CA GLU A 400 -0.688 13.744 3.919 1.00 43.22 C ATOM 97 C GLU A 400 -0.450 15.217 4.408 1.00 43.20 C ATOM 98 O GLU A 400 -0.653 15.530 5.587 1.00 51.42 O ATOM 99 CB GLU A 400 -1.830 13.694 2.830 1.00 53.22 C ATOM 100 CG GLU A 400 -3.269 13.565 3.333 1.00 61.41 C ATOM 101 CD GLU A 400 -3.936 14.875 3.708 1.00 72.31 C ATOM 102 OE1 GLU A 400 -4.430 15.565 2.793 1.00 23.53 O ATOM 103 OE2 GLU A 400 -3.996 15.194 4.912 1.00 65.42 O ATOM 0 H GLU A 400 -1.755 12.350 5.148 1.00 13.24 H new ATOM 0 HA GLU A 400 0.214 13.402 3.412 1.00 43.22 H new ATOM 0 HB2 GLU A 400 -1.762 14.600 2.228 1.00 53.22 H new ATOM 0 HB3 GLU A 400 -1.627 12.854 2.166 1.00 53.22 H new ATOM 0 HG2 GLU A 400 -3.866 13.078 2.561 1.00 61.41 H new ATOM 0 HG3 GLU A 400 -3.277 12.908 4.203 1.00 61.41 H new ATOM 110 N GLY A 401 0.003 16.104 3.482 1.00 64.41 N ATOM 111 CA GLY A 401 0.544 17.440 3.849 1.00 44.11 C ATOM 112 C GLY A 401 -0.355 18.585 3.365 1.00 63.43 C ATOM 113 O GLY A 401 -1.289 18.925 4.093 1.00 42.51 O ATOM 0 H GLY A 401 0.004 15.918 2.479 1.00 64.41 H new ATOM 0 HA2 GLY A 401 0.654 17.500 4.932 1.00 44.11 H new ATOM 0 HA3 GLY A 401 1.539 17.557 3.421 1.00 44.11 H new ATOM 117 N PRO A 402 -0.150 19.234 2.157 1.00 42.53 N ATOM 118 CA PRO A 402 -1.061 20.286 1.722 1.00 30.41 C ATOM 119 C PRO A 402 -2.216 19.714 0.884 1.00 52.21 C ATOM 120 O PRO A 402 -2.165 18.559 0.429 1.00 60.15 O ATOM 121 CB PRO A 402 -0.128 21.188 0.897 1.00 53.12 C ATOM 122 CG PRO A 402 0.767 20.245 0.201 1.00 60.20 C ATOM 123 CD PRO A 402 0.916 19.029 1.111 1.00 63.11 C ATOM 0 HA PRO A 402 -1.560 20.813 2.536 1.00 30.41 H new ATOM 0 HB2 PRO A 402 -0.689 21.800 0.190 1.00 53.12 H new ATOM 0 HB3 PRO A 402 0.432 21.871 1.536 1.00 53.12 H new ATOM 0 HG2 PRO A 402 0.351 19.957 -0.764 1.00 60.20 H new ATOM 0 HG3 PRO A 402 1.736 20.704 0.006 1.00 60.20 H new ATOM 0 HD2 PRO A 402 0.766 18.098 0.564 1.00 63.11 H new ATOM 0 HD3 PRO A 402 1.910 18.981 1.556 1.00 63.11 H new ATOM 131 N GLU A 403 -3.283 20.491 0.756 1.00 41.01 N ATOM 132 CA GLU A 403 -4.332 20.219 -0.197 1.00 61.14 C ATOM 133 C GLU A 403 -3.737 20.175 -1.636 1.00 5.45 C ATOM 134 O GLU A 403 -3.234 21.183 -2.159 1.00 13.42 O ATOM 135 CB GLU A 403 -5.401 21.330 -0.074 1.00 31.30 C ATOM 136 CG GLU A 403 -4.922 22.775 -0.268 1.00 43.31 C ATOM 137 CD GLU A 403 -6.074 23.725 -0.324 1.00 41.24 C ATOM 138 OE1 GLU A 403 -6.775 23.736 -1.351 1.00 3.14 O ATOM 139 OE2 GLU A 403 -6.292 24.437 0.667 1.00 52.01 O ATOM 0 H GLU A 403 -3.439 21.329 1.316 1.00 41.01 H new ATOM 0 HA GLU A 403 -4.792 19.252 0.005 1.00 61.14 H new ATOM 0 HB2 GLU A 403 -6.184 21.131 -0.805 1.00 31.30 H new ATOM 0 HB3 GLU A 403 -5.859 21.253 0.912 1.00 31.30 H new ATOM 0 HG2 GLU A 403 -4.258 23.053 0.550 1.00 43.31 H new ATOM 0 HG3 GLU A 403 -4.342 22.848 -1.188 1.00 43.31 H new ATOM 146 N GLY A 404 -3.696 18.999 -2.242 1.00 72.22 N ATOM 147 CA GLY A 404 -3.326 18.925 -3.612 1.00 45.44 C ATOM 148 C GLY A 404 -2.670 17.607 -4.001 1.00 72.35 C ATOM 149 O GLY A 404 -2.700 17.226 -5.173 1.00 40.12 O ATOM 0 H GLY A 404 -3.914 18.106 -1.800 1.00 72.22 H new ATOM 0 HA2 GLY A 404 -4.214 19.074 -4.227 1.00 45.44 H new ATOM 0 HA3 GLY A 404 -2.641 19.742 -3.838 1.00 45.44 H new ATOM 153 N ALA A 405 -2.071 16.900 -3.035 1.00 62.23 N ATOM 154 CA ALA A 405 -1.382 15.663 -3.357 1.00 51.44 C ATOM 155 C ALA A 405 -1.948 14.459 -2.516 1.00 1.22 C ATOM 156 O ALA A 405 -1.718 14.400 -1.306 1.00 11.24 O ATOM 157 CB ALA A 405 0.080 15.909 -2.981 1.00 51.51 C ATOM 0 H ALA A 405 -2.053 17.162 -2.049 1.00 62.23 H new ATOM 0 HA ALA A 405 -1.510 15.403 -4.408 1.00 51.44 H new ATOM 0 HB1 ALA A 405 0.666 15.016 -3.196 1.00 51.51 H new ATOM 0 HB2 ALA A 405 0.469 16.746 -3.560 1.00 51.51 H new ATOM 0 HB3 ALA A 405 0.148 16.140 -1.918 1.00 51.51 H new ATOM 163 N ASN A 406 -2.686 13.514 -3.169 1.00 75.34 N ATOM 164 CA ASN A 406 -2.992 12.102 -2.645 1.00 64.04 C ATOM 165 C ASN A 406 -3.375 11.103 -3.839 1.00 40.33 C ATOM 166 O ASN A 406 -4.290 11.420 -4.589 1.00 74.01 O ATOM 167 CB ASN A 406 -4.145 12.214 -1.557 1.00 51.13 C ATOM 168 CG ASN A 406 -5.221 13.251 -1.879 1.00 34.23 C ATOM 169 OD1 ASN A 406 -5.539 13.495 -3.043 1.00 64.35 O ATOM 170 ND2 ASN A 406 -5.802 13.887 -0.856 1.00 51.32 N ATOM 0 H ASN A 406 -3.100 13.690 -4.085 1.00 75.34 H new ATOM 0 HA ASN A 406 -2.103 11.677 -2.179 1.00 64.04 H new ATOM 0 HB2 ASN A 406 -4.619 11.239 -1.447 1.00 51.13 H new ATOM 0 HB3 ASN A 406 -3.697 12.461 -0.595 1.00 51.13 H new ATOM 0 HD21 ASN A 406 -6.522 14.588 -1.034 1.00 51.32 H new ATOM 0 HD22 ASN A 406 -5.525 13.671 0.102 1.00 51.32 H new ATOM 177 N LEU A 407 -2.690 9.929 -4.086 1.00 34.31 N ATOM 178 CA LEU A 407 -3.221 8.920 -5.069 1.00 73.33 C ATOM 179 C LEU A 407 -3.192 7.440 -4.463 1.00 14.22 C ATOM 180 O LEU A 407 -2.221 7.101 -3.789 1.00 15.21 O ATOM 181 CB LEU A 407 -2.473 9.037 -6.484 1.00 70.31 C ATOM 182 CG LEU A 407 -0.902 9.035 -6.618 1.00 51.14 C ATOM 183 CD1 LEU A 407 -0.261 10.210 -5.991 1.00 74.21 C ATOM 184 CD2 LEU A 407 -0.270 7.767 -6.125 1.00 22.14 C ATOM 0 H LEU A 407 -1.810 9.670 -3.639 1.00 34.31 H new ATOM 0 HA LEU A 407 -4.270 9.148 -5.257 1.00 73.33 H new ATOM 0 HB2 LEU A 407 -2.839 8.214 -7.098 1.00 70.31 H new ATOM 0 HB3 LEU A 407 -2.824 9.960 -6.946 1.00 70.31 H new ATOM 0 HG LEU A 407 -0.721 9.098 -7.691 1.00 51.14 H new ATOM 0 HD11 LEU A 407 0.820 10.147 -6.119 1.00 74.21 H new ATOM 0 HD12 LEU A 407 -0.630 11.121 -6.463 1.00 74.21 H new ATOM 0 HD13 LEU A 407 -0.500 10.230 -4.928 1.00 74.21 H new ATOM 0 HD21 LEU A 407 0.812 7.829 -6.245 1.00 22.14 H new ATOM 0 HD22 LEU A 407 -0.511 7.626 -5.071 1.00 22.14 H new ATOM 0 HD23 LEU A 407 -0.651 6.923 -6.700 1.00 22.14 H new ATOM 196 N PHE A 408 -4.254 6.564 -4.651 1.00 13.53 N ATOM 197 CA PHE A 408 -4.238 5.150 -4.153 1.00 11.02 C ATOM 198 C PHE A 408 -4.378 4.135 -5.319 1.00 2.20 C ATOM 199 O PHE A 408 -4.819 4.491 -6.416 1.00 73.04 O ATOM 200 CB PHE A 408 -5.291 4.846 -3.014 1.00 13.24 C ATOM 201 CG PHE A 408 -5.167 5.741 -1.786 1.00 15.01 C ATOM 202 CD1 PHE A 408 -3.920 6.077 -1.257 1.00 41.12 C ATOM 203 CD2 PHE A 408 -6.293 6.271 -1.180 1.00 52.24 C ATOM 204 CE1 PHE A 408 -3.794 6.924 -0.166 1.00 45.31 C ATOM 205 CE2 PHE A 408 -6.178 7.120 -0.092 1.00 73.23 C ATOM 206 CZ PHE A 408 -4.930 7.453 0.412 1.00 51.42 C ATOM 0 H PHE A 408 -5.113 6.820 -5.138 1.00 13.53 H new ATOM 0 HA PHE A 408 -3.259 5.026 -3.690 1.00 11.02 H new ATOM 0 HB2 PHE A 408 -6.294 4.952 -3.426 1.00 13.24 H new ATOM 0 HB3 PHE A 408 -5.182 3.807 -2.704 1.00 13.24 H new ATOM 0 HD1 PHE A 408 -3.029 5.666 -1.709 1.00 41.12 H new ATOM 0 HD2 PHE A 408 -7.272 6.020 -1.560 1.00 52.24 H new ATOM 0 HE1 PHE A 408 -2.818 7.167 0.227 1.00 45.31 H new ATOM 0 HE2 PHE A 408 -7.067 7.526 0.367 1.00 73.23 H new ATOM 0 HZ PHE A 408 -4.847 8.124 1.254 1.00 51.42 H new ATOM 216 N ILE A 409 -4.000 2.862 -5.068 1.00 33.34 N ATOM 217 CA ILE A 409 -3.750 1.850 -6.178 1.00 23.12 C ATOM 218 C ILE A 409 -4.923 0.778 -6.121 1.00 71.44 C ATOM 219 O ILE A 409 -5.047 0.112 -5.096 1.00 70.21 O ATOM 220 CB ILE A 409 -2.307 1.062 -6.163 1.00 41.12 C ATOM 221 CG1 ILE A 409 -1.013 1.961 -6.403 1.00 61.11 C ATOM 222 CG2 ILE A 409 -2.249 -0.043 -7.274 1.00 54.04 C ATOM 223 CD1 ILE A 409 -0.898 3.365 -5.803 1.00 20.24 C ATOM 0 H ILE A 409 -3.857 2.492 -4.128 1.00 33.34 H new ATOM 0 HA ILE A 409 -3.721 2.432 -7.099 1.00 23.12 H new ATOM 0 HB ILE A 409 -2.273 0.666 -5.148 1.00 41.12 H new ATOM 0 HG12 ILE A 409 -0.158 1.390 -6.042 1.00 61.11 H new ATOM 0 HG13 ILE A 409 -0.894 2.065 -7.481 1.00 61.11 H new ATOM 0 HG21 ILE A 409 -1.282 -0.545 -7.237 1.00 54.04 H new ATOM 0 HG22 ILE A 409 -3.043 -0.771 -7.105 1.00 54.04 H new ATOM 0 HG23 ILE A 409 -2.382 0.418 -8.253 1.00 54.04 H new ATOM 0 HD11 ILE A 409 0.059 3.804 -6.086 1.00 20.24 H new ATOM 0 HD12 ILE A 409 -1.709 3.989 -6.179 1.00 20.24 H new ATOM 0 HD13 ILE A 409 -0.961 3.303 -4.717 1.00 20.24 H new ATOM 235 N TYR A 410 -5.794 0.624 -7.179 1.00 1.12 N ATOM 236 CA TYR A 410 -6.732 -0.539 -7.294 1.00 25.42 C ATOM 237 C TYR A 410 -6.057 -1.603 -8.175 1.00 0.13 C ATOM 238 O TYR A 410 -5.346 -1.203 -9.105 1.00 72.21 O ATOM 239 CB TYR A 410 -8.072 -0.098 -7.994 1.00 34.44 C ATOM 240 CG TYR A 410 -9.238 0.445 -7.179 1.00 11.50 C ATOM 241 CD1 TYR A 410 -9.120 1.253 -6.043 1.00 71.53 C ATOM 242 CD2 TYR A 410 -10.525 0.134 -7.610 1.00 24.42 C ATOM 243 CE1 TYR A 410 -10.244 1.705 -5.393 1.00 43.12 C ATOM 244 CE2 TYR A 410 -11.633 0.594 -6.962 1.00 72.03 C ATOM 245 CZ TYR A 410 -11.497 1.377 -5.854 1.00 73.14 C ATOM 246 OH TYR A 410 -12.625 1.839 -5.213 1.00 41.12 O ATOM 0 H TYR A 410 -5.860 1.286 -7.952 1.00 1.12 H new ATOM 0 HA TYR A 410 -6.958 -0.924 -6.300 1.00 25.42 H new ATOM 0 HB2 TYR A 410 -7.813 0.664 -8.729 1.00 34.44 H new ATOM 0 HB3 TYR A 410 -8.443 -0.961 -8.547 1.00 34.44 H new ATOM 0 HD1 TYR A 410 -8.141 1.523 -5.675 1.00 71.53 H new ATOM 0 HD2 TYR A 410 -10.649 -0.490 -8.483 1.00 24.42 H new ATOM 0 HE1 TYR A 410 -10.142 2.323 -4.513 1.00 43.12 H new ATOM 0 HE2 TYR A 410 -12.617 0.338 -7.326 1.00 72.03 H new ATOM 0 HH TYR A 410 -13.423 1.509 -5.677 1.00 41.12 H new ATOM 256 N HIS A 411 -6.271 -2.950 -7.879 1.00 3.33 N ATOM 257 CA HIS A 411 -5.649 -4.074 -8.656 1.00 2.24 C ATOM 258 C HIS A 411 -4.118 -4.143 -8.460 1.00 11.05 C ATOM 259 O HIS A 411 -3.362 -3.820 -9.374 1.00 12.23 O ATOM 260 CB HIS A 411 -5.934 -4.030 -10.161 1.00 51.02 C ATOM 261 CG HIS A 411 -7.374 -4.124 -10.602 1.00 23.33 C ATOM 262 ND1 HIS A 411 -8.406 -4.599 -9.815 1.00 13.43 N ATOM 263 CD2 HIS A 411 -7.936 -3.782 -11.778 1.00 45.22 C ATOM 264 CE1 HIS A 411 -9.542 -4.521 -10.490 1.00 75.32 C ATOM 265 NE2 HIS A 411 -9.279 -4.033 -11.682 1.00 55.30 N ATOM 0 H HIS A 411 -6.866 -3.264 -7.112 1.00 3.33 H new ATOM 0 HA HIS A 411 -6.124 -4.965 -8.245 1.00 2.24 H new ATOM 0 HB2 HIS A 411 -5.522 -3.100 -10.554 1.00 51.02 H new ATOM 0 HB3 HIS A 411 -5.385 -4.846 -10.631 1.00 51.02 H new ATOM 0 HD2 HIS A 411 -7.421 -3.383 -12.639 1.00 45.22 H new ATOM 0 HE1 HIS A 411 -10.517 -4.809 -10.125 1.00 75.32 H new ATOM 0 HE2 HIS A 411 -9.966 -3.868 -12.418 1.00 55.30 H new ATOM 274 N LEU A 412 -3.650 -4.516 -7.269 1.00 50.10 N ATOM 275 CA LEU A 412 -2.222 -4.420 -6.961 1.00 43.21 C ATOM 276 C LEU A 412 -1.527 -5.694 -7.512 1.00 60.21 C ATOM 277 O LEU A 412 -1.937 -6.806 -7.142 1.00 35.15 O ATOM 278 CB LEU A 412 -1.989 -4.152 -5.412 1.00 22.54 C ATOM 279 CG LEU A 412 -0.584 -4.497 -4.813 1.00 44.13 C ATOM 280 CD1 LEU A 412 -0.021 -3.424 -3.877 1.00 61.12 C ATOM 281 CD2 LEU A 412 -0.536 -5.863 -4.081 1.00 21.31 C ATOM 0 H LEU A 412 -4.227 -4.882 -6.512 1.00 50.10 H new ATOM 0 HA LEU A 412 -1.765 -3.560 -7.451 1.00 43.21 H new ATOM 0 HB2 LEU A 412 -2.184 -3.096 -5.222 1.00 22.54 H new ATOM 0 HB3 LEU A 412 -2.737 -4.719 -4.858 1.00 22.54 H new ATOM 0 HG LEU A 412 0.047 -4.548 -5.700 1.00 44.13 H new ATOM 0 HD11 LEU A 412 0.954 -3.740 -3.506 1.00 61.12 H new ATOM 0 HD12 LEU A 412 0.085 -2.486 -4.421 1.00 61.12 H new ATOM 0 HD13 LEU A 412 -0.701 -3.281 -3.037 1.00 61.12 H new ATOM 0 HD21 LEU A 412 0.468 -6.033 -3.693 1.00 21.31 H new ATOM 0 HD22 LEU A 412 -1.248 -5.859 -3.256 1.00 21.31 H new ATOM 0 HD23 LEU A 412 -0.795 -6.659 -4.779 1.00 21.31 H new ATOM 293 N PRO A 413 -0.556 -5.594 -8.496 1.00 20.22 N ATOM 294 CA PRO A 413 0.133 -6.784 -9.040 1.00 22.03 C ATOM 295 C PRO A 413 1.053 -7.587 -8.092 1.00 31.24 C ATOM 296 O PRO A 413 1.202 -7.260 -6.917 1.00 52.13 O ATOM 297 CB PRO A 413 0.791 -6.330 -10.300 1.00 12.41 C ATOM 298 CG PRO A 413 1.015 -4.891 -10.154 1.00 61.11 C ATOM 299 CD PRO A 413 -0.100 -4.360 -9.278 1.00 11.23 C ATOM 0 HA PRO A 413 -0.614 -7.557 -9.219 1.00 22.03 H new ATOM 0 HB2 PRO A 413 1.733 -6.856 -10.457 1.00 12.41 H new ATOM 0 HB3 PRO A 413 0.161 -6.539 -11.164 1.00 12.41 H new ATOM 0 HG2 PRO A 413 1.988 -4.695 -9.702 1.00 61.11 H new ATOM 0 HG3 PRO A 413 1.010 -4.399 -11.126 1.00 61.11 H new ATOM 0 HD2 PRO A 413 0.252 -3.571 -8.614 1.00 11.23 H new ATOM 0 HD3 PRO A 413 -0.911 -3.938 -9.872 1.00 11.23 H new ATOM 307 N GLN A 414 1.670 -8.640 -8.679 1.00 11.54 N ATOM 308 CA GLN A 414 1.949 -9.971 -8.114 1.00 5.13 C ATOM 309 C GLN A 414 2.148 -10.175 -6.566 1.00 10.14 C ATOM 310 O GLN A 414 1.249 -10.773 -5.982 1.00 64.24 O ATOM 311 CB GLN A 414 3.273 -10.376 -8.846 1.00 70.32 C ATOM 312 CG GLN A 414 4.259 -9.212 -9.202 1.00 14.03 C ATOM 313 CD GLN A 414 5.408 -9.018 -8.210 1.00 41.01 C ATOM 314 OE1 GLN A 414 5.859 -9.965 -7.584 1.00 25.14 O ATOM 315 NE2 GLN A 414 5.876 -7.776 -8.060 1.00 0.50 N ATOM 0 H GLN A 414 2.011 -8.569 -9.638 1.00 11.54 H new ATOM 0 HA GLN A 414 1.048 -10.565 -8.267 1.00 5.13 H new ATOM 0 HB2 GLN A 414 3.804 -11.093 -8.219 1.00 70.32 H new ATOM 0 HB3 GLN A 414 3.008 -10.893 -9.768 1.00 70.32 H new ATOM 0 HG2 GLN A 414 4.679 -9.400 -10.190 1.00 14.03 H new ATOM 0 HG3 GLN A 414 3.693 -8.283 -9.267 1.00 14.03 H new ATOM 0 HE21 GLN A 414 5.473 -7.011 -8.601 1.00 0.50 H new ATOM 0 HE22 GLN A 414 6.636 -7.593 -7.405 1.00 0.50 H new ATOM 324 N GLU A 415 3.202 -9.720 -5.870 1.00 12.20 N ATOM 325 CA GLU A 415 3.151 -9.655 -4.380 1.00 60.32 C ATOM 326 C GLU A 415 3.315 -8.223 -3.810 1.00 61.40 C ATOM 327 O GLU A 415 3.506 -8.093 -2.603 1.00 44.03 O ATOM 328 CB GLU A 415 4.088 -10.733 -3.693 1.00 13.13 C ATOM 329 CG GLU A 415 5.473 -10.278 -3.212 1.00 22.45 C ATOM 330 CD GLU A 415 6.563 -10.310 -4.258 1.00 23.02 C ATOM 331 OE1 GLU A 415 7.116 -11.408 -4.492 1.00 0.53 O ATOM 332 OE2 GLU A 415 6.884 -9.237 -4.818 1.00 50.21 O ATOM 0 H GLU A 415 4.076 -9.399 -6.286 1.00 12.20 H new ATOM 0 HA GLU A 415 2.134 -9.934 -4.106 1.00 60.32 H new ATOM 0 HB2 GLU A 415 3.554 -11.142 -2.836 1.00 13.13 H new ATOM 0 HB3 GLU A 415 4.231 -11.551 -4.399 1.00 13.13 H new ATOM 0 HG2 GLU A 415 5.390 -9.261 -2.828 1.00 22.45 H new ATOM 0 HG3 GLU A 415 5.775 -10.910 -2.377 1.00 22.45 H new ATOM 339 N PHE A 416 3.050 -7.168 -4.627 1.00 2.04 N ATOM 340 CA PHE A 416 3.794 -5.840 -4.533 1.00 60.32 C ATOM 341 C PHE A 416 3.727 -5.241 -3.085 1.00 4.41 C ATOM 342 O PHE A 416 2.679 -4.760 -2.653 1.00 64.32 O ATOM 343 CB PHE A 416 3.203 -4.777 -5.542 1.00 42.04 C ATOM 344 CG PHE A 416 3.988 -4.213 -6.694 1.00 44.00 C ATOM 345 CD1 PHE A 416 5.041 -4.836 -7.357 1.00 32.42 C ATOM 346 CD2 PHE A 416 3.572 -2.962 -7.143 1.00 4.33 C ATOM 347 CE1 PHE A 416 5.647 -4.223 -8.440 1.00 33.42 C ATOM 348 CE2 PHE A 416 4.157 -2.358 -8.230 1.00 1.21 C ATOM 349 CZ PHE A 416 5.203 -2.986 -8.884 1.00 51.40 C ATOM 0 H PHE A 416 2.338 -7.190 -5.357 1.00 2.04 H new ATOM 0 HA PHE A 416 4.832 -6.051 -4.789 1.00 60.32 H new ATOM 0 HB2 PHE A 416 2.305 -5.223 -5.969 1.00 42.04 H new ATOM 0 HB3 PHE A 416 2.882 -3.926 -4.941 1.00 42.04 H new ATOM 0 HD1 PHE A 416 5.387 -5.803 -7.025 1.00 32.42 H new ATOM 0 HD2 PHE A 416 2.771 -2.455 -6.625 1.00 4.33 H new ATOM 0 HE1 PHE A 416 6.470 -4.710 -8.942 1.00 33.42 H new ATOM 0 HE2 PHE A 416 3.802 -1.397 -8.573 1.00 1.21 H new ATOM 0 HZ PHE A 416 5.671 -2.515 -9.736 1.00 51.40 H new ATOM 359 N GLY A 417 4.857 -5.333 -2.333 1.00 44.22 N ATOM 360 CA GLY A 417 4.912 -4.945 -0.929 1.00 11.23 C ATOM 361 C GLY A 417 5.663 -3.605 -0.658 1.00 63.11 C ATOM 362 O GLY A 417 5.915 -2.864 -1.602 1.00 24.14 O ATOM 0 H GLY A 417 5.744 -5.679 -2.698 1.00 44.22 H new ATOM 0 HA2 GLY A 417 3.894 -4.860 -0.548 1.00 11.23 H new ATOM 0 HA3 GLY A 417 5.398 -5.740 -0.364 1.00 11.23 H new ATOM 366 N ASP A 418 5.976 -3.282 0.640 1.00 45.12 N ATOM 367 CA ASP A 418 6.603 -1.965 1.048 1.00 22.03 C ATOM 368 C ASP A 418 7.887 -1.616 0.245 1.00 32.34 C ATOM 369 O ASP A 418 7.968 -0.518 -0.314 1.00 41.31 O ATOM 370 CB ASP A 418 6.838 -1.869 2.613 1.00 73.45 C ATOM 371 CG ASP A 418 8.240 -1.507 3.072 1.00 0.54 C ATOM 372 OD1 ASP A 418 8.556 -0.306 3.155 1.00 14.13 O ATOM 373 OD2 ASP A 418 9.015 -2.447 3.381 1.00 52.41 O ATOM 0 H ASP A 418 5.806 -3.912 1.424 1.00 45.12 H new ATOM 0 HA ASP A 418 5.871 -1.201 0.785 1.00 22.03 H new ATOM 0 HB2 ASP A 418 6.146 -1.129 3.016 1.00 73.45 H new ATOM 0 HB3 ASP A 418 6.572 -2.829 3.056 1.00 73.45 H new ATOM 378 N GLN A 419 8.859 -2.555 0.204 1.00 3.34 N ATOM 379 CA GLN A 419 10.136 -2.366 -0.520 1.00 51.31 C ATOM 380 C GLN A 419 9.982 -1.995 -2.006 1.00 52.23 C ATOM 381 O GLN A 419 10.751 -1.146 -2.484 1.00 52.14 O ATOM 382 CB GLN A 419 11.104 -3.569 -0.395 1.00 2.12 C ATOM 383 CG GLN A 419 10.642 -4.863 -1.108 1.00 41.21 C ATOM 384 CD GLN A 419 11.605 -5.353 -2.186 1.00 15.14 C ATOM 385 OE1 GLN A 419 11.724 -6.553 -2.416 1.00 62.24 O ATOM 386 NE2 GLN A 419 12.254 -4.437 -2.897 1.00 32.11 N ATOM 0 H GLN A 419 8.781 -3.460 0.669 1.00 3.34 H new ATOM 0 HA GLN A 419 10.573 -1.508 -0.009 1.00 51.31 H new ATOM 0 HB2 GLN A 419 12.074 -3.278 -0.798 1.00 2.12 H new ATOM 0 HB3 GLN A 419 11.251 -3.788 0.663 1.00 2.12 H new ATOM 0 HG2 GLN A 419 10.514 -5.650 -0.365 1.00 41.21 H new ATOM 0 HG3 GLN A 419 9.665 -4.689 -1.559 1.00 41.21 H new ATOM 0 HE21 GLN A 419 12.135 -3.447 -2.683 1.00 32.11 H new ATOM 0 HE22 GLN A 419 12.871 -4.724 -3.657 1.00 32.11 H new ATOM 395 N ASP A 420 9.035 -2.622 -2.745 1.00 25.35 N ATOM 396 CA ASP A 420 8.887 -2.262 -4.168 1.00 75.01 C ATOM 397 C ASP A 420 8.375 -0.811 -4.309 1.00 12.52 C ATOM 398 O ASP A 420 8.962 -0.036 -5.066 1.00 4.44 O ATOM 399 CB ASP A 420 8.021 -3.210 -5.030 1.00 12.05 C ATOM 400 CG ASP A 420 6.626 -2.728 -5.250 1.00 53.24 C ATOM 401 OD1 ASP A 420 6.421 -1.965 -6.219 1.00 31.22 O ATOM 402 OD2 ASP A 420 5.753 -3.047 -4.438 1.00 72.42 O ATOM 0 H ASP A 420 8.397 -3.339 -2.401 1.00 25.35 H new ATOM 0 HA ASP A 420 9.895 -2.367 -4.570 1.00 75.01 H new ATOM 0 HB2 ASP A 420 8.504 -3.347 -5.998 1.00 12.05 H new ATOM 0 HB3 ASP A 420 7.985 -4.188 -4.551 1.00 12.05 H new ATOM 407 N ILE A 421 7.282 -0.463 -3.562 1.00 21.43 N ATOM 408 CA ILE A 421 6.564 0.819 -3.701 1.00 3.13 C ATOM 409 C ILE A 421 7.462 2.039 -3.382 1.00 43.04 C ATOM 410 O ILE A 421 7.172 3.170 -3.815 1.00 31.31 O ATOM 411 CB ILE A 421 5.217 0.831 -2.808 1.00 71.03 C ATOM 412 CG1 ILE A 421 3.906 0.781 -3.679 1.00 32.21 C ATOM 413 CG2 ILE A 421 5.135 1.930 -1.731 1.00 32.44 C ATOM 414 CD1 ILE A 421 2.636 1.404 -3.085 1.00 72.44 C ATOM 0 H ILE A 421 6.884 -1.074 -2.849 1.00 21.43 H new ATOM 0 HA ILE A 421 6.278 0.909 -4.749 1.00 3.13 H new ATOM 0 HB ILE A 421 5.289 -0.100 -2.246 1.00 71.03 H new ATOM 0 HG12 ILE A 421 4.113 1.278 -4.627 1.00 32.21 H new ATOM 0 HG13 ILE A 421 3.693 -0.263 -3.907 1.00 32.21 H new ATOM 0 HG21 ILE A 421 4.191 1.843 -1.194 1.00 32.44 H new ATOM 0 HG22 ILE A 421 5.963 1.816 -1.031 1.00 32.44 H new ATOM 0 HG23 ILE A 421 5.194 2.910 -2.206 1.00 32.44 H new ATOM 0 HD11 ILE A 421 1.813 1.298 -3.792 1.00 72.44 H new ATOM 0 HD12 ILE A 421 2.383 0.896 -2.154 1.00 72.44 H new ATOM 0 HD13 ILE A 421 2.809 2.462 -2.886 1.00 72.44 H new ATOM 426 N LEU A 422 8.589 1.801 -2.701 1.00 45.40 N ATOM 427 CA LEU A 422 9.367 2.876 -2.195 1.00 72.43 C ATOM 428 C LEU A 422 10.336 3.280 -3.324 1.00 65.13 C ATOM 429 O LEU A 422 10.540 4.456 -3.588 1.00 64.05 O ATOM 430 CB LEU A 422 10.096 2.544 -0.823 1.00 52.11 C ATOM 431 CG LEU A 422 10.932 3.698 -0.170 1.00 21.42 C ATOM 432 CD1 LEU A 422 10.137 4.982 0.109 1.00 22.50 C ATOM 433 CD2 LEU A 422 11.593 3.291 1.148 1.00 55.21 C ATOM 0 H LEU A 422 8.959 0.871 -2.502 1.00 45.40 H new ATOM 0 HA LEU A 422 8.724 3.714 -1.927 1.00 72.43 H new ATOM 0 HB2 LEU A 422 9.340 2.224 -0.106 1.00 52.11 H new ATOM 0 HB3 LEU A 422 10.759 1.695 -0.987 1.00 52.11 H new ATOM 0 HG LEU A 422 11.685 3.900 -0.932 1.00 21.42 H new ATOM 0 HD11 LEU A 422 10.794 5.726 0.560 1.00 22.50 H new ATOM 0 HD12 LEU A 422 9.736 5.372 -0.826 1.00 22.50 H new ATOM 0 HD13 LEU A 422 9.316 4.761 0.791 1.00 22.50 H new ATOM 0 HD21 LEU A 422 12.156 4.134 1.548 1.00 55.21 H new ATOM 0 HD22 LEU A 422 10.826 2.995 1.863 1.00 55.21 H new ATOM 0 HD23 LEU A 422 12.269 2.454 0.973 1.00 55.21 H new ATOM 445 N GLN A 423 10.899 2.263 -4.007 1.00 43.20 N ATOM 446 CA GLN A 423 11.829 2.484 -5.139 1.00 60.52 C ATOM 447 C GLN A 423 11.159 2.584 -6.565 1.00 1.43 C ATOM 448 O GLN A 423 11.617 3.411 -7.364 1.00 55.44 O ATOM 449 CB GLN A 423 13.004 1.457 -5.098 1.00 3.34 C ATOM 450 CG GLN A 423 12.650 0.073 -5.646 1.00 42.34 C ATOM 451 CD GLN A 423 13.593 -1.037 -5.212 1.00 71.45 C ATOM 452 OE1 GLN A 423 14.593 -1.310 -5.872 1.00 4.51 O ATOM 453 NE2 GLN A 423 13.277 -1.706 -4.106 1.00 14.32 N ATOM 0 H GLN A 423 10.728 1.280 -3.796 1.00 43.20 H new ATOM 0 HA GLN A 423 12.232 3.485 -4.987 1.00 60.52 H new ATOM 0 HB2 GLN A 423 13.841 1.858 -5.669 1.00 3.34 H new ATOM 0 HB3 GLN A 423 13.343 1.351 -4.067 1.00 3.34 H new ATOM 0 HG2 GLN A 423 11.639 -0.182 -5.329 1.00 42.34 H new ATOM 0 HG3 GLN A 423 12.640 0.119 -6.735 1.00 42.34 H new ATOM 0 HE21 GLN A 423 12.440 -1.455 -3.580 1.00 14.32 H new ATOM 0 HE22 GLN A 423 13.872 -2.470 -3.784 1.00 14.32 H new ATOM 462 N MET A 424 10.098 1.779 -6.911 1.00 71.23 N ATOM 463 CA MET A 424 9.471 1.869 -8.281 1.00 40.32 C ATOM 464 C MET A 424 8.637 3.184 -8.428 1.00 21.12 C ATOM 465 O MET A 424 8.410 3.644 -9.550 1.00 43.50 O ATOM 466 CB MET A 424 8.614 0.553 -8.665 1.00 71.31 C ATOM 467 CG MET A 424 8.017 0.408 -10.132 1.00 74.32 C ATOM 468 SD MET A 424 9.284 0.283 -11.407 1.00 10.14 S ATOM 469 CE MET A 424 9.121 1.863 -12.233 1.00 41.30 C ATOM 0 H MET A 424 9.673 1.089 -6.291 1.00 71.23 H new ATOM 0 HA MET A 424 10.285 1.910 -9.005 1.00 40.32 H new ATOM 0 HB2 MET A 424 9.248 -0.314 -8.483 1.00 71.31 H new ATOM 0 HB3 MET A 424 7.780 0.490 -7.965 1.00 71.31 H new ATOM 0 HG2 MET A 424 7.382 -0.477 -10.173 1.00 74.32 H new ATOM 0 HG3 MET A 424 7.381 1.267 -10.345 1.00 74.32 H new ATOM 0 HE1 MET A 424 9.641 1.828 -13.191 1.00 41.30 H new ATOM 0 HE2 MET A 424 8.066 2.079 -12.400 1.00 41.30 H new ATOM 0 HE3 MET A 424 9.557 2.645 -11.612 1.00 41.30 H new ATOM 479 N PHE A 425 8.210 3.821 -7.302 1.00 73.10 N ATOM 480 CA PHE A 425 7.385 5.015 -7.359 1.00 44.30 C ATOM 481 C PHE A 425 8.229 6.269 -6.981 1.00 21.41 C ATOM 482 O PHE A 425 7.707 7.382 -6.939 1.00 1.42 O ATOM 483 CB PHE A 425 6.134 4.733 -6.504 1.00 14.31 C ATOM 484 CG PHE A 425 4.788 4.694 -7.209 1.00 0.34 C ATOM 485 CD1 PHE A 425 4.355 3.518 -7.806 1.00 2.31 C ATOM 486 CD2 PHE A 425 3.908 5.784 -7.201 1.00 60.23 C ATOM 487 CE1 PHE A 425 3.113 3.432 -8.391 1.00 1.31 C ATOM 488 CE2 PHE A 425 2.665 5.688 -7.768 1.00 5.13 C ATOM 489 CZ PHE A 425 2.260 4.518 -8.365 1.00 64.31 C ATOM 0 H PHE A 425 8.434 3.512 -6.356 1.00 73.10 H new ATOM 0 HA PHE A 425 7.028 5.255 -8.361 1.00 44.30 H new ATOM 0 HB2 PHE A 425 6.279 3.775 -6.005 1.00 14.31 H new ATOM 0 HB3 PHE A 425 6.082 5.494 -5.725 1.00 14.31 H new ATOM 0 HD1 PHE A 425 5.005 2.655 -7.811 1.00 2.31 H new ATOM 0 HD2 PHE A 425 4.214 6.712 -6.742 1.00 60.23 H new ATOM 0 HE1 PHE A 425 2.805 2.515 -8.871 1.00 1.31 H new ATOM 0 HE2 PHE A 425 1.998 6.537 -7.746 1.00 5.13 H new ATOM 0 HZ PHE A 425 1.279 4.448 -8.812 1.00 64.31 H new ATOM 499 N MET A 426 9.555 6.057 -6.705 1.00 4.04 N ATOM 500 CA MET A 426 10.530 7.125 -6.372 1.00 35.10 C ATOM 501 C MET A 426 10.911 8.128 -7.533 1.00 24.32 C ATOM 502 O MET A 426 11.157 9.290 -7.207 1.00 64.34 O ATOM 503 CB MET A 426 11.863 6.521 -5.857 1.00 64.21 C ATOM 504 CG MET A 426 12.271 7.055 -4.493 1.00 60.40 C ATOM 505 SD MET A 426 13.732 6.270 -3.796 1.00 75.24 S ATOM 506 CE MET A 426 13.724 7.021 -2.163 1.00 62.24 C ATOM 0 H MET A 426 9.972 5.126 -6.710 1.00 4.04 H new ATOM 0 HA MET A 426 9.995 7.698 -5.615 1.00 35.10 H new ATOM 0 HB2 MET A 426 11.767 5.437 -5.802 1.00 64.21 H new ATOM 0 HB3 MET A 426 12.654 6.735 -6.576 1.00 64.21 H new ATOM 0 HG2 MET A 426 12.453 8.127 -4.575 1.00 60.40 H new ATOM 0 HG3 MET A 426 11.439 6.925 -3.801 1.00 60.40 H new ATOM 0 HE1 MET A 426 14.569 6.646 -1.586 1.00 62.24 H new ATOM 0 HE2 MET A 426 13.803 8.104 -2.260 1.00 62.24 H new ATOM 0 HE3 MET A 426 12.795 6.769 -1.651 1.00 62.24 H new ATOM 516 N PRO A 427 11.002 7.735 -8.885 1.00 65.12 N ATOM 517 CA PRO A 427 11.786 8.508 -9.920 1.00 70.32 C ATOM 518 C PRO A 427 11.338 9.987 -10.279 1.00 23.41 C ATOM 519 O PRO A 427 12.010 10.626 -11.095 1.00 20.20 O ATOM 520 CB PRO A 427 11.698 7.555 -11.138 1.00 33.44 C ATOM 521 CG PRO A 427 10.364 6.927 -10.981 1.00 74.30 C ATOM 522 CD PRO A 427 10.396 6.529 -9.541 1.00 65.44 C ATOM 0 HA PRO A 427 12.782 8.734 -9.540 1.00 70.32 H new ATOM 0 HB2 PRO A 427 11.780 8.097 -12.080 1.00 33.44 H new ATOM 0 HB3 PRO A 427 12.496 6.813 -11.127 1.00 33.44 H new ATOM 0 HG2 PRO A 427 9.554 7.623 -11.197 1.00 74.30 H new ATOM 0 HG3 PRO A 427 10.233 6.070 -11.642 1.00 74.30 H new ATOM 0 HD2 PRO A 427 9.399 6.316 -9.156 1.00 65.44 H new ATOM 0 HD3 PRO A 427 10.997 5.634 -9.380 1.00 65.44 H new ATOM 530 N PHE A 428 10.224 10.529 -9.703 1.00 41.31 N ATOM 531 CA PHE A 428 9.890 11.991 -9.824 1.00 14.13 C ATOM 532 C PHE A 428 9.803 12.768 -8.446 1.00 40.52 C ATOM 533 O PHE A 428 9.238 13.869 -8.422 1.00 14.35 O ATOM 534 CB PHE A 428 8.570 12.278 -10.643 1.00 53.03 C ATOM 535 CG PHE A 428 8.216 11.363 -11.803 1.00 55.13 C ATOM 536 CD1 PHE A 428 8.745 11.558 -13.075 1.00 0.51 C ATOM 537 CD2 PHE A 428 7.280 10.353 -11.629 1.00 10.31 C ATOM 538 CE1 PHE A 428 8.350 10.755 -14.139 1.00 45.13 C ATOM 539 CE2 PHE A 428 6.876 9.555 -12.692 1.00 40.33 C ATOM 540 CZ PHE A 428 7.413 9.759 -13.946 1.00 3.15 C ATOM 0 H PHE A 428 9.550 9.991 -9.159 1.00 41.31 H new ATOM 0 HA PHE A 428 10.747 12.375 -10.377 1.00 14.13 H new ATOM 0 HB2 PHE A 428 7.736 12.260 -9.942 1.00 53.03 H new ATOM 0 HB3 PHE A 428 8.637 13.294 -11.032 1.00 53.03 H new ATOM 0 HD1 PHE A 428 9.470 12.342 -13.238 1.00 0.51 H new ATOM 0 HD2 PHE A 428 6.858 10.184 -10.649 1.00 10.31 H new ATOM 0 HE1 PHE A 428 8.777 10.910 -15.119 1.00 45.13 H new ATOM 0 HE2 PHE A 428 6.143 8.777 -12.537 1.00 40.33 H new ATOM 0 HZ PHE A 428 7.101 9.141 -14.775 1.00 3.15 H new ATOM 550 N GLY A 429 10.357 12.255 -7.305 1.00 62.24 N ATOM 551 CA GLY A 429 10.509 13.089 -6.090 1.00 74.34 C ATOM 552 C GLY A 429 10.000 12.425 -4.761 1.00 23.01 C ATOM 553 O GLY A 429 9.591 11.260 -4.798 1.00 44.54 O ATOM 0 H GLY A 429 10.694 11.297 -7.210 1.00 62.24 H new ATOM 0 HA2 GLY A 429 11.562 13.343 -5.971 1.00 74.34 H new ATOM 0 HA3 GLY A 429 9.971 14.025 -6.240 1.00 74.34 H new ATOM 557 N ASN A 430 10.005 13.153 -3.582 1.00 34.54 N ATOM 558 CA ASN A 430 9.996 12.483 -2.245 1.00 41.03 C ATOM 559 C ASN A 430 8.567 12.103 -1.728 1.00 35.33 C ATOM 560 O ASN A 430 7.593 12.835 -1.919 1.00 11.32 O ATOM 561 CB ASN A 430 10.803 13.295 -1.163 1.00 23.54 C ATOM 562 CG ASN A 430 10.202 14.620 -0.710 1.00 21.25 C ATOM 563 OD1 ASN A 430 9.476 15.288 -1.448 1.00 44.14 O ATOM 564 ND2 ASN A 430 10.548 15.024 0.522 1.00 45.44 N ATOM 0 H ASN A 430 10.015 14.172 -3.542 1.00 34.54 H new ATOM 0 HA ASN A 430 10.513 11.537 -2.406 1.00 41.03 H new ATOM 0 HB2 ASN A 430 10.928 12.661 -0.285 1.00 23.54 H new ATOM 0 HB3 ASN A 430 11.799 13.491 -1.559 1.00 23.54 H new ATOM 0 HD21 ASN A 430 10.207 15.916 0.881 1.00 45.44 H new ATOM 0 HD22 ASN A 430 11.152 14.439 1.100 1.00 45.44 H new ATOM 571 N VAL A 431 8.479 10.903 -1.114 1.00 61.42 N ATOM 572 CA VAL A 431 7.205 10.243 -0.742 1.00 52.21 C ATOM 573 C VAL A 431 7.027 10.082 0.821 1.00 24.34 C ATOM 574 O VAL A 431 7.979 9.648 1.487 1.00 11.21 O ATOM 575 CB VAL A 431 7.119 8.874 -1.541 1.00 4.11 C ATOM 576 CG1 VAL A 431 8.467 8.198 -1.680 1.00 41.12 C ATOM 577 CG2 VAL A 431 6.170 7.826 -0.978 1.00 60.20 C ATOM 0 H VAL A 431 9.302 10.357 -0.859 1.00 61.42 H new ATOM 0 HA VAL A 431 6.363 10.874 -1.027 1.00 52.21 H new ATOM 0 HB VAL A 431 6.725 9.209 -2.501 1.00 4.11 H new ATOM 0 HG11 VAL A 431 8.351 7.266 -2.234 1.00 41.12 H new ATOM 0 HG12 VAL A 431 9.151 8.856 -2.216 1.00 41.12 H new ATOM 0 HG13 VAL A 431 8.870 7.984 -0.690 1.00 41.12 H new ATOM 0 HG21 VAL A 431 6.196 6.936 -1.607 1.00 60.20 H new ATOM 0 HG22 VAL A 431 6.477 7.564 0.035 1.00 60.20 H new ATOM 0 HG23 VAL A 431 5.156 8.226 -0.958 1.00 60.20 H new ATOM 587 N ILE A 432 5.824 10.377 1.424 1.00 24.22 N ATOM 588 CA ILE A 432 5.724 10.410 2.915 1.00 3.45 C ATOM 589 C ILE A 432 4.941 9.207 3.568 1.00 42.13 C ATOM 590 O ILE A 432 4.987 9.047 4.789 1.00 44.43 O ATOM 591 CB ILE A 432 5.088 11.729 3.487 1.00 33.32 C ATOM 592 CG1 ILE A 432 5.094 12.880 2.489 1.00 23.42 C ATOM 593 CG2 ILE A 432 5.855 12.211 4.712 1.00 1.25 C ATOM 594 CD1 ILE A 432 4.562 14.207 3.040 1.00 2.34 C ATOM 0 H ILE A 432 4.958 10.584 0.926 1.00 24.22 H new ATOM 0 HA ILE A 432 6.776 10.342 3.192 1.00 3.45 H new ATOM 0 HB ILE A 432 4.058 11.466 3.730 1.00 33.32 H new ATOM 0 HG12 ILE A 432 6.114 13.032 2.136 1.00 23.42 H new ATOM 0 HG13 ILE A 432 4.496 12.596 1.623 1.00 23.42 H new ATOM 0 HG21 ILE A 432 5.398 13.125 5.091 1.00 1.25 H new ATOM 0 HG22 ILE A 432 5.826 11.443 5.485 1.00 1.25 H new ATOM 0 HG23 ILE A 432 6.891 12.411 4.437 1.00 1.25 H new ATOM 0 HD11 ILE A 432 4.604 14.968 2.260 1.00 2.34 H new ATOM 0 HD12 ILE A 432 3.530 14.078 3.366 1.00 2.34 H new ATOM 0 HD13 ILE A 432 5.173 14.521 3.886 1.00 2.34 H new ATOM 606 N SER A 433 4.164 8.426 2.805 1.00 31.45 N ATOM 607 CA SER A 433 3.461 7.221 3.321 1.00 75.40 C ATOM 608 C SER A 433 3.618 5.992 2.376 1.00 45.12 C ATOM 609 O SER A 433 3.353 6.088 1.173 1.00 10.41 O ATOM 610 CB SER A 433 1.961 7.612 3.468 1.00 30.11 C ATOM 611 OG SER A 433 1.811 8.779 4.272 1.00 15.44 O ATOM 0 H SER A 433 3.999 8.603 1.814 1.00 31.45 H new ATOM 0 HA SER A 433 3.894 6.918 4.275 1.00 75.40 H new ATOM 0 HB2 SER A 433 1.530 7.788 2.483 1.00 30.11 H new ATOM 0 HB3 SER A 433 1.409 6.785 3.915 1.00 30.11 H new ATOM 0 HG SER A 433 0.938 9.188 4.096 1.00 15.44 H new ATOM 617 N ALA A 434 4.061 4.839 2.956 1.00 1.53 N ATOM 618 CA ALA A 434 4.036 3.495 2.271 1.00 72.25 C ATOM 619 C ALA A 434 3.455 2.363 3.240 1.00 33.10 C ATOM 620 O ALA A 434 4.090 2.075 4.259 1.00 11.11 O ATOM 621 CB ALA A 434 5.460 3.105 1.775 1.00 0.15 C ATOM 0 H ALA A 434 4.443 4.806 3.901 1.00 1.53 H new ATOM 0 HA ALA A 434 3.375 3.573 1.408 1.00 72.25 H new ATOM 0 HB1 ALA A 434 5.421 2.133 1.284 1.00 0.15 H new ATOM 0 HB2 ALA A 434 5.817 3.854 1.068 1.00 0.15 H new ATOM 0 HB3 ALA A 434 6.140 3.055 2.625 1.00 0.15 H new ATOM 627 N LYS A 435 2.247 1.733 2.960 1.00 11.31 N ATOM 628 CA LYS A 435 1.694 0.585 3.769 1.00 53.42 C ATOM 629 C LYS A 435 0.735 -0.303 2.887 1.00 44.15 C ATOM 630 O LYS A 435 -0.153 0.251 2.231 1.00 53.33 O ATOM 631 CB LYS A 435 1.024 1.017 5.136 1.00 33.04 C ATOM 632 CG LYS A 435 -0.251 1.874 5.183 1.00 40.42 C ATOM 633 CD LYS A 435 -1.510 1.003 5.149 1.00 25.12 C ATOM 634 CE LYS A 435 -2.834 1.778 5.056 1.00 5.54 C ATOM 635 NZ LYS A 435 -2.950 2.883 6.054 1.00 65.25 N ATOM 0 H LYS A 435 1.647 2.007 2.182 1.00 11.31 H new ATOM 0 HA LYS A 435 2.550 -0.020 4.067 1.00 53.42 H new ATOM 0 HB2 LYS A 435 0.807 0.100 5.683 1.00 33.04 H new ATOM 0 HB3 LYS A 435 1.785 1.554 5.703 1.00 33.04 H new ATOM 0 HG2 LYS A 435 -0.251 2.481 6.089 1.00 40.42 H new ATOM 0 HG3 LYS A 435 -0.260 2.563 4.338 1.00 40.42 H new ATOM 0 HD2 LYS A 435 -1.442 0.326 4.297 1.00 25.12 H new ATOM 0 HD3 LYS A 435 -1.530 0.385 6.047 1.00 25.12 H new ATOM 0 HE2 LYS A 435 -2.933 2.193 4.053 1.00 5.54 H new ATOM 0 HE3 LYS A 435 -3.663 1.084 5.197 1.00 5.54 H new ATOM 0 HZ1 LYS A 435 -3.872 3.352 5.947 1.00 65.25 H new ATOM 0 HZ2 LYS A 435 -2.869 2.493 7.015 1.00 65.25 H new ATOM 0 HZ3 LYS A 435 -2.189 3.575 5.896 1.00 65.25 H new ATOM 649 N VAL A 436 0.920 -1.669 2.814 1.00 60.40 N ATOM 650 CA VAL A 436 -0.140 -2.546 2.200 1.00 43.11 C ATOM 651 C VAL A 436 -0.962 -3.201 3.358 1.00 32.45 C ATOM 652 O VAL A 436 -0.674 -4.295 3.847 1.00 3.21 O ATOM 653 CB VAL A 436 0.466 -3.598 1.120 1.00 63.54 C ATOM 654 CG1 VAL A 436 -0.478 -4.734 0.692 1.00 10.51 C ATOM 655 CG2 VAL A 436 0.919 -2.946 -0.203 1.00 53.12 C ATOM 0 H VAL A 436 1.746 -2.162 3.153 1.00 60.40 H new ATOM 0 HA VAL A 436 -0.824 -1.945 1.600 1.00 43.11 H new ATOM 0 HB VAL A 436 1.304 -3.999 1.690 1.00 63.54 H new ATOM 0 HG11 VAL A 436 0.028 -5.375 -0.030 1.00 10.51 H new ATOM 0 HG12 VAL A 436 -0.759 -5.322 1.566 1.00 10.51 H new ATOM 0 HG13 VAL A 436 -1.373 -4.311 0.236 1.00 10.51 H new ATOM 0 HG21 VAL A 436 1.311 -3.713 -0.871 1.00 53.12 H new ATOM 0 HG22 VAL A 436 0.069 -2.453 -0.675 1.00 53.12 H new ATOM 0 HG23 VAL A 436 1.697 -2.211 0.002 1.00 53.12 H new ATOM 665 N PHE A 437 -1.915 -2.375 3.871 1.00 71.40 N ATOM 666 CA PHE A 437 -3.093 -2.750 4.714 1.00 3.43 C ATOM 667 C PHE A 437 -4.438 -2.197 4.149 1.00 53.45 C ATOM 668 O PHE A 437 -4.433 -1.187 3.449 1.00 15.14 O ATOM 669 CB PHE A 437 -2.953 -2.356 6.211 1.00 34.20 C ATOM 670 CG PHE A 437 -2.453 -3.469 7.141 1.00 13.13 C ATOM 671 CD1 PHE A 437 -3.310 -4.470 7.615 1.00 35.22 C ATOM 672 CD2 PHE A 437 -1.129 -3.501 7.566 1.00 34.41 C ATOM 673 CE1 PHE A 437 -2.847 -5.461 8.471 1.00 14.02 C ATOM 674 CE2 PHE A 437 -0.670 -4.489 8.419 1.00 31.43 C ATOM 675 CZ PHE A 437 -1.528 -5.467 8.866 1.00 25.42 C ATOM 0 H PHE A 437 -1.883 -1.370 3.699 1.00 71.40 H new ATOM 0 HA PHE A 437 -3.112 -3.839 4.666 1.00 3.43 H new ATOM 0 HB2 PHE A 437 -2.269 -1.510 6.284 1.00 34.20 H new ATOM 0 HB3 PHE A 437 -3.923 -2.013 6.571 1.00 34.20 H new ATOM 0 HD1 PHE A 437 -4.346 -4.471 7.310 1.00 35.22 H new ATOM 0 HD2 PHE A 437 -0.445 -2.739 7.223 1.00 34.41 H new ATOM 0 HE1 PHE A 437 -3.521 -6.226 8.826 1.00 14.02 H new ATOM 0 HE2 PHE A 437 0.363 -4.492 8.734 1.00 31.43 H new ATOM 0 HZ PHE A 437 -1.167 -6.240 9.528 1.00 25.42 H new ATOM 866 N GLY A 449 -3.428 -0.703 -2.165 1.00 0.44 N ATOM 867 CA GLY A 449 -2.155 0.031 -1.772 1.00 64.11 C ATOM 868 C GLY A 449 -2.247 1.562 -1.636 1.00 3.41 C ATOM 869 O GLY A 449 -3.041 2.190 -2.323 1.00 25.40 O ATOM 0 HA2 GLY A 449 -1.810 -0.374 -0.821 1.00 64.11 H new ATOM 0 HA3 GLY A 449 -1.389 -0.198 -2.513 1.00 64.11 H new ATOM 873 N PHE A 450 -1.430 2.152 -0.695 1.00 62.23 N ATOM 874 CA PHE A 450 -1.493 3.609 -0.356 1.00 71.00 C ATOM 875 C PHE A 450 -0.125 4.382 -0.649 1.00 71.41 C ATOM 876 O PHE A 450 0.869 4.029 -0.017 1.00 32.21 O ATOM 877 CB PHE A 450 -1.895 3.658 1.154 1.00 45.00 C ATOM 878 CG PHE A 450 -3.307 3.166 1.442 1.00 51.15 C ATOM 879 CD1 PHE A 450 -3.638 1.834 1.338 1.00 43.34 C ATOM 880 CD2 PHE A 450 -4.291 4.042 1.840 1.00 42.40 C ATOM 881 CE1 PHE A 450 -4.885 1.373 1.597 1.00 12.12 C ATOM 882 CE2 PHE A 450 -5.563 3.590 2.103 1.00 41.33 C ATOM 883 CZ PHE A 450 -5.855 2.242 1.977 1.00 44.33 C ATOM 0 H PHE A 450 -0.727 1.638 -0.165 1.00 62.23 H new ATOM 0 HA PHE A 450 -2.217 4.127 -0.985 1.00 71.00 H new ATOM 0 HB2 PHE A 450 -1.189 3.056 1.726 1.00 45.00 H new ATOM 0 HB3 PHE A 450 -1.800 4.684 1.510 1.00 45.00 H new ATOM 0 HD1 PHE A 450 -2.875 1.130 1.039 1.00 43.34 H new ATOM 0 HD2 PHE A 450 -4.063 5.092 1.947 1.00 42.40 H new ATOM 0 HE1 PHE A 450 -5.106 0.320 1.502 1.00 12.12 H new ATOM 0 HE2 PHE A 450 -6.332 4.284 2.407 1.00 41.33 H new ATOM 0 HZ PHE A 450 -6.853 1.883 2.181 1.00 44.33 H new ATOM 893 N VAL A 451 -0.023 5.433 -1.603 1.00 32.10 N ATOM 894 CA VAL A 451 1.240 6.275 -1.714 1.00 71.42 C ATOM 895 C VAL A 451 0.833 7.793 -1.528 1.00 71.43 C ATOM 896 O VAL A 451 -0.341 8.127 -1.710 1.00 50.41 O ATOM 897 CB VAL A 451 2.021 6.188 -3.109 1.00 32.33 C ATOM 898 CG1 VAL A 451 3.542 6.011 -3.007 1.00 12.15 C ATOM 899 CG2 VAL A 451 1.457 5.188 -4.085 1.00 43.13 C ATOM 0 H VAL A 451 -0.763 5.688 -2.257 1.00 32.10 H new ATOM 0 HA VAL A 451 1.911 5.881 -0.951 1.00 71.42 H new ATOM 0 HB VAL A 451 1.843 7.186 -3.509 1.00 32.33 H new ATOM 0 HG11 VAL A 451 3.971 5.964 -4.008 1.00 12.15 H new ATOM 0 HG12 VAL A 451 3.971 6.855 -2.468 1.00 12.15 H new ATOM 0 HG13 VAL A 451 3.766 5.088 -2.473 1.00 12.15 H new ATOM 0 HG21 VAL A 451 2.049 5.199 -5.000 1.00 43.13 H new ATOM 0 HG22 VAL A 451 1.488 4.192 -3.644 1.00 43.13 H new ATOM 0 HG23 VAL A 451 0.425 5.449 -4.318 1.00 43.13 H new ATOM 909 N SER A 452 1.771 8.704 -1.140 1.00 65.42 N ATOM 910 CA SER A 452 1.491 10.169 -1.027 1.00 13.11 C ATOM 911 C SER A 452 2.813 10.988 -1.465 1.00 72.44 C ATOM 912 O SER A 452 3.904 10.517 -1.145 1.00 41.43 O ATOM 913 CB SER A 452 1.085 10.440 0.458 1.00 62.25 C ATOM 914 OG SER A 452 2.195 10.821 1.265 1.00 52.20 O ATOM 0 H SER A 452 2.729 8.450 -0.900 1.00 65.42 H new ATOM 0 HA SER A 452 0.682 10.493 -1.682 1.00 13.11 H new ATOM 0 HB2 SER A 452 0.331 11.227 0.488 1.00 62.25 H new ATOM 0 HB3 SER A 452 0.627 9.544 0.876 1.00 62.25 H new ATOM 0 HG SER A 452 1.892 10.981 2.183 1.00 52.20 H new ATOM 920 N TYR A 453 2.750 12.168 -2.210 1.00 43.04 N ATOM 921 CA TYR A 453 3.974 13.049 -2.510 1.00 32.52 C ATOM 922 C TYR A 453 3.875 14.471 -1.825 1.00 34.43 C ATOM 923 O TYR A 453 2.853 14.749 -1.199 1.00 2.23 O ATOM 924 CB TYR A 453 4.087 13.291 -4.030 1.00 3.42 C ATOM 925 CG TYR A 453 4.510 12.133 -4.945 1.00 35.52 C ATOM 926 CD1 TYR A 453 5.816 11.605 -5.013 1.00 35.01 C ATOM 927 CD2 TYR A 453 3.573 11.599 -5.810 1.00 30.41 C ATOM 928 CE1 TYR A 453 6.127 10.587 -5.908 1.00 33.51 C ATOM 929 CE2 TYR A 453 3.882 10.589 -6.688 1.00 4.43 C ATOM 930 CZ TYR A 453 5.155 10.083 -6.735 1.00 75.31 C ATOM 931 OH TYR A 453 5.460 9.072 -7.620 1.00 75.33 O ATOM 0 H TYR A 453 1.882 12.528 -2.608 1.00 43.04 H new ATOM 0 HA TYR A 453 4.840 12.516 -2.117 1.00 32.52 H new ATOM 0 HB2 TYR A 453 3.117 13.646 -4.378 1.00 3.42 H new ATOM 0 HB3 TYR A 453 4.797 14.104 -4.181 1.00 3.42 H new ATOM 0 HD1 TYR A 453 6.584 11.996 -4.362 1.00 35.01 H new ATOM 0 HD2 TYR A 453 2.566 11.989 -5.795 1.00 30.41 H new ATOM 0 HE1 TYR A 453 7.132 10.194 -5.952 1.00 33.51 H new ATOM 0 HE2 TYR A 453 3.120 10.193 -7.343 1.00 4.43 H new ATOM 0 HH TYR A 453 6.223 8.560 -7.281 1.00 75.33 H new ATOM 941 N ASP A 454 4.928 15.387 -1.927 1.00 33.34 N ATOM 942 CA ASP A 454 4.845 16.714 -1.210 1.00 20.32 C ATOM 943 C ASP A 454 4.167 17.908 -2.001 1.00 23.12 C ATOM 944 O ASP A 454 3.695 18.826 -1.330 1.00 25.44 O ATOM 945 CB ASP A 454 6.203 17.205 -0.535 1.00 5.13 C ATOM 946 CG ASP A 454 5.967 17.872 0.813 1.00 32.03 C ATOM 947 OD1 ASP A 454 5.967 17.166 1.843 1.00 75.31 O ATOM 948 OD2 ASP A 454 5.807 19.109 0.841 1.00 31.21 O ATOM 0 H ASP A 454 5.782 15.235 -2.463 1.00 33.34 H new ATOM 0 HA ASP A 454 4.151 16.449 -0.413 1.00 20.32 H new ATOM 0 HB2 ASP A 454 6.871 16.353 -0.405 1.00 5.13 H new ATOM 0 HB3 ASP A 454 6.706 17.905 -1.202 1.00 5.13 H new ATOM 953 N ASN A 455 4.047 17.941 -3.386 1.00 64.24 N ATOM 954 CA ASN A 455 3.437 19.152 -4.044 1.00 61.23 C ATOM 955 C ASN A 455 2.621 18.875 -5.343 1.00 11.21 C ATOM 956 O ASN A 455 3.035 18.002 -6.087 1.00 52.41 O ATOM 957 CB ASN A 455 4.420 20.352 -4.165 1.00 75.11 C ATOM 958 CG ASN A 455 5.748 20.167 -4.924 1.00 62.31 C ATOM 959 OD1 ASN A 455 6.213 21.105 -5.563 1.00 11.10 O ATOM 960 ND2 ASN A 455 6.397 19.013 -4.845 1.00 13.34 N ATOM 0 H ASN A 455 4.343 17.198 -4.019 1.00 64.24 H new ATOM 0 HA ASN A 455 2.671 19.466 -3.335 1.00 61.23 H new ATOM 0 HB2 ASN A 455 3.881 21.170 -4.643 1.00 75.11 H new ATOM 0 HB3 ASN A 455 4.664 20.679 -3.154 1.00 75.11 H new ATOM 0 HD21 ASN A 455 7.293 18.898 -5.319 1.00 13.34 H new ATOM 0 HD22 ASN A 455 6.000 18.240 -4.311 1.00 13.34 H new ATOM 967 N PRO A 456 1.382 19.564 -5.608 1.00 32.31 N ATOM 968 CA PRO A 456 0.473 19.246 -6.763 1.00 52.43 C ATOM 969 C PRO A 456 1.085 19.092 -8.222 1.00 25.50 C ATOM 970 O PRO A 456 0.394 18.563 -9.097 1.00 10.40 O ATOM 971 CB PRO A 456 -0.629 20.345 -6.715 1.00 41.01 C ATOM 972 CG PRO A 456 -0.281 21.273 -5.621 1.00 32.23 C ATOM 973 CD PRO A 456 0.616 20.501 -4.715 1.00 32.22 C ATOM 0 HA PRO A 456 0.122 18.225 -6.615 1.00 52.43 H new ATOM 0 HB2 PRO A 456 -0.683 20.876 -7.666 1.00 41.01 H new ATOM 0 HB3 PRO A 456 -1.608 19.899 -6.543 1.00 41.01 H new ATOM 0 HG2 PRO A 456 0.219 22.162 -6.005 1.00 32.23 H new ATOM 0 HG3 PRO A 456 -1.173 21.612 -5.095 1.00 32.23 H new ATOM 0 HD2 PRO A 456 1.290 21.164 -4.172 1.00 32.22 H new ATOM 0 HD3 PRO A 456 0.041 19.951 -3.970 1.00 32.22 H new ATOM 981 N VAL A 457 2.367 19.501 -8.480 1.00 32.12 N ATOM 982 CA VAL A 457 3.024 19.295 -9.820 1.00 31.42 C ATOM 983 C VAL A 457 3.490 17.790 -9.994 1.00 74.00 C ATOM 984 O VAL A 457 3.371 17.239 -11.096 1.00 14.35 O ATOM 985 CB VAL A 457 4.222 20.328 -10.106 1.00 40.24 C ATOM 986 CG1 VAL A 457 4.916 20.103 -11.463 1.00 14.42 C ATOM 987 CG2 VAL A 457 3.775 21.811 -10.097 1.00 3.11 C ATOM 0 H VAL A 457 2.960 19.967 -7.793 1.00 32.12 H new ATOM 0 HA VAL A 457 2.267 19.508 -10.575 1.00 31.42 H new ATOM 0 HB VAL A 457 4.910 20.129 -9.284 1.00 40.24 H new ATOM 0 HG11 VAL A 457 5.714 20.835 -11.590 1.00 14.42 H new ATOM 0 HG12 VAL A 457 5.337 19.098 -11.494 1.00 14.42 H new ATOM 0 HG13 VAL A 457 4.189 20.216 -12.267 1.00 14.42 H new ATOM 0 HG21 VAL A 457 4.634 22.451 -10.297 1.00 3.11 H new ATOM 0 HG22 VAL A 457 3.019 21.968 -10.866 1.00 3.11 H new ATOM 0 HG23 VAL A 457 3.357 22.059 -9.121 1.00 3.11 H new ATOM 997 N SER A 458 3.945 17.089 -8.909 1.00 63.52 N ATOM 998 CA SER A 458 4.420 15.674 -9.032 1.00 32.23 C ATOM 999 C SER A 458 3.279 14.607 -9.211 1.00 21.50 C ATOM 1000 O SER A 458 3.567 13.491 -9.655 1.00 72.21 O ATOM 1001 CB SER A 458 5.396 15.290 -7.877 1.00 24.05 C ATOM 1002 OG SER A 458 5.070 15.938 -6.661 1.00 43.40 O ATOM 0 H SER A 458 3.992 17.469 -7.964 1.00 63.52 H new ATOM 0 HA SER A 458 4.973 15.647 -9.971 1.00 32.23 H new ATOM 0 HB2 SER A 458 5.373 14.210 -7.728 1.00 24.05 H new ATOM 0 HB3 SER A 458 6.415 15.551 -8.163 1.00 24.05 H new ATOM 0 HG SER A 458 5.705 15.668 -5.966 1.00 43.40 H new ATOM 1008 N ALA A 459 1.997 14.936 -8.871 1.00 32.02 N ATOM 1009 CA ALA A 459 0.836 14.047 -9.156 1.00 30.52 C ATOM 1010 C ALA A 459 0.493 13.926 -10.663 1.00 3.14 C ATOM 1011 O ALA A 459 0.127 12.843 -11.097 1.00 43.33 O ATOM 1012 CB ALA A 459 -0.412 14.400 -8.348 1.00 43.41 C ATOM 0 H ALA A 459 1.746 15.806 -8.402 1.00 32.02 H new ATOM 0 HA ALA A 459 1.175 13.065 -8.826 1.00 30.52 H new ATOM 0 HB1 ALA A 459 -1.218 13.713 -8.605 1.00 43.41 H new ATOM 0 HB2 ALA A 459 -0.191 14.318 -7.284 1.00 43.41 H new ATOM 0 HB3 ALA A 459 -0.718 15.421 -8.578 1.00 43.41 H new ATOM 1018 N GLN A 460 0.652 14.998 -11.474 1.00 54.15 N ATOM 1019 CA GLN A 460 0.202 14.985 -12.883 1.00 11.24 C ATOM 1020 C GLN A 460 1.101 14.083 -13.765 1.00 5.55 C ATOM 1021 O GLN A 460 0.612 13.486 -14.729 1.00 3.31 O ATOM 1022 CB GLN A 460 0.134 16.435 -13.475 1.00 3.14 C ATOM 1023 CG GLN A 460 -0.768 17.447 -12.707 1.00 43.04 C ATOM 1024 CD GLN A 460 -0.184 18.835 -12.663 1.00 23.42 C ATOM 1025 OE1 GLN A 460 1.029 19.023 -12.728 1.00 23.23 O ATOM 1026 NE2 GLN A 460 -1.043 19.818 -12.504 1.00 45.42 N ATOM 0 H GLN A 460 1.084 15.874 -11.179 1.00 54.15 H new ATOM 0 HA GLN A 460 -0.804 14.565 -12.890 1.00 11.24 H new ATOM 0 HB2 GLN A 460 1.146 16.838 -13.513 1.00 3.14 H new ATOM 0 HB3 GLN A 460 -0.222 16.370 -14.503 1.00 3.14 H new ATOM 0 HG2 GLN A 460 -1.748 17.485 -13.182 1.00 43.04 H new ATOM 0 HG3 GLN A 460 -0.921 17.090 -11.689 1.00 43.04 H new ATOM 0 HE21 GLN A 460 -2.042 19.619 -12.455 1.00 45.42 H new ATOM 0 HE22 GLN A 460 -0.710 20.779 -12.430 1.00 45.42 H new ATOM 1035 N ALA A 461 2.405 13.979 -13.436 1.00 63.40 N ATOM 1036 CA ALA A 461 3.330 13.102 -14.184 1.00 44.22 C ATOM 1037 C ALA A 461 3.130 11.593 -13.846 1.00 45.25 C ATOM 1038 O ALA A 461 3.216 10.758 -14.756 1.00 64.14 O ATOM 1039 CB ALA A 461 4.806 13.549 -14.051 1.00 62.31 C ATOM 0 H ALA A 461 2.839 14.486 -12.665 1.00 63.40 H new ATOM 0 HA ALA A 461 3.070 13.213 -15.237 1.00 44.22 H new ATOM 0 HB1 ALA A 461 5.444 12.872 -14.619 1.00 62.31 H new ATOM 0 HB2 ALA A 461 4.916 14.562 -14.439 1.00 62.31 H new ATOM 0 HB3 ALA A 461 5.099 13.529 -13.001 1.00 62.31 H new ATOM 1045 N ALA A 462 2.837 11.231 -12.563 1.00 52.21 N ATOM 1046 CA ALA A 462 2.570 9.823 -12.210 1.00 14.22 C ATOM 1047 C ALA A 462 1.206 9.257 -12.703 1.00 71.14 C ATOM 1048 O ALA A 462 1.139 8.061 -12.904 1.00 20.01 O ATOM 1049 CB ALA A 462 2.787 9.537 -10.716 1.00 61.11 C ATOM 0 H ALA A 462 2.783 11.884 -11.781 1.00 52.21 H new ATOM 0 HA ALA A 462 3.323 9.274 -12.776 1.00 14.22 H new ATOM 0 HB1 ALA A 462 2.577 8.487 -10.512 1.00 61.11 H new ATOM 0 HB2 ALA A 462 3.821 9.758 -10.450 1.00 61.11 H new ATOM 0 HB3 ALA A 462 2.118 10.162 -10.125 1.00 61.11 H new ATOM 1055 N ILE A 463 0.118 10.070 -12.907 1.00 54.40 N ATOM 1056 CA ILE A 463 -1.120 9.558 -13.494 1.00 20.10 C ATOM 1057 C ILE A 463 -0.831 9.099 -14.975 1.00 24.01 C ATOM 1058 O ILE A 463 -1.265 8.019 -15.322 1.00 33.35 O ATOM 1059 CB ILE A 463 -2.353 10.595 -13.348 1.00 23.23 C ATOM 1060 CG1 ILE A 463 -2.985 10.718 -11.906 1.00 12.10 C ATOM 1061 CG2 ILE A 463 -3.577 10.246 -14.217 1.00 75.04 C ATOM 1062 CD1 ILE A 463 -2.126 10.753 -10.655 1.00 31.43 C ATOM 0 H ILE A 463 0.095 11.062 -12.671 1.00 54.40 H new ATOM 0 HA ILE A 463 -1.454 8.684 -12.935 1.00 20.10 H new ATOM 0 HB ILE A 463 -1.850 11.514 -13.649 1.00 23.23 H new ATOM 0 HG12 ILE A 463 -3.585 11.628 -11.902 1.00 12.10 H new ATOM 0 HG13 ILE A 463 -3.674 9.881 -11.792 1.00 12.10 H new ATOM 0 HG21 ILE A 463 -4.358 10.990 -14.061 1.00 75.04 H new ATOM 0 HG22 ILE A 463 -3.287 10.239 -15.268 1.00 75.04 H new ATOM 0 HG23 ILE A 463 -3.952 9.261 -13.938 1.00 75.04 H new ATOM 0 HD11 ILE A 463 -2.766 10.841 -9.777 1.00 31.43 H new ATOM 0 HD12 ILE A 463 -1.542 9.835 -10.588 1.00 31.43 H new ATOM 0 HD13 ILE A 463 -1.452 11.609 -10.700 1.00 31.43 H new ATOM 1074 N GLN A 464 -0.019 9.854 -15.817 1.00 25.22 N ATOM 1075 CA GLN A 464 0.336 9.377 -17.208 1.00 11.14 C ATOM 1076 C GLN A 464 1.216 8.048 -17.255 1.00 42.32 C ATOM 1077 O GLN A 464 0.821 7.107 -17.949 1.00 54.42 O ATOM 1078 CB GLN A 464 0.974 10.542 -18.085 1.00 32.13 C ATOM 1079 CG GLN A 464 0.849 10.397 -19.629 1.00 72.34 C ATOM 1080 CD GLN A 464 -0.377 11.107 -20.225 1.00 43.44 C ATOM 1081 OE1 GLN A 464 -0.329 11.593 -21.349 1.00 14.34 O ATOM 1082 NE2 GLN A 464 -1.475 11.170 -19.486 1.00 2.20 N ATOM 0 H GLN A 464 0.383 10.757 -15.564 1.00 25.22 H new ATOM 0 HA GLN A 464 -0.616 9.094 -17.657 1.00 11.14 H new ATOM 0 HB2 GLN A 464 0.509 11.483 -17.792 1.00 32.13 H new ATOM 0 HB3 GLN A 464 2.032 10.618 -17.834 1.00 32.13 H new ATOM 0 HG2 GLN A 464 1.750 10.796 -20.095 1.00 72.34 H new ATOM 0 HG3 GLN A 464 0.801 9.338 -19.882 1.00 72.34 H new ATOM 0 HE21 GLN A 464 -1.487 10.757 -18.554 1.00 2.20 H new ATOM 0 HE22 GLN A 464 -2.309 11.632 -19.850 1.00 2.20 H new ATOM 1091 N ALA A 465 2.378 7.952 -16.533 1.00 34.12 N ATOM 1092 CA ALA A 465 3.283 6.715 -16.570 1.00 12.40 C ATOM 1093 C ALA A 465 2.785 5.493 -15.685 1.00 12.52 C ATOM 1094 O ALA A 465 3.398 4.420 -15.696 1.00 64.00 O ATOM 1095 CB ALA A 465 4.783 7.079 -16.264 1.00 24.24 C ATOM 0 H ALA A 465 2.721 8.694 -15.923 1.00 34.12 H new ATOM 0 HA ALA A 465 3.217 6.358 -17.598 1.00 12.40 H new ATOM 0 HB1 ALA A 465 5.391 6.175 -16.300 1.00 24.24 H new ATOM 0 HB2 ALA A 465 5.144 7.789 -17.008 1.00 24.24 H new ATOM 0 HB3 ALA A 465 4.854 7.525 -15.272 1.00 24.24 H new ATOM 1101 N MET A 466 1.665 5.666 -14.953 1.00 32.20 N ATOM 1102 CA MET A 466 1.070 4.638 -14.024 1.00 61.31 C ATOM 1103 C MET A 466 -0.375 4.241 -14.424 1.00 12.21 C ATOM 1104 O MET A 466 -0.853 3.208 -13.949 1.00 12.44 O ATOM 1105 CB MET A 466 1.103 5.044 -12.494 1.00 11.35 C ATOM 1106 CG MET A 466 2.461 4.930 -11.760 1.00 24.01 C ATOM 1107 SD MET A 466 3.791 5.941 -12.436 1.00 51.31 S ATOM 1108 CE MET A 466 5.054 5.678 -11.195 1.00 31.03 C ATOM 0 H MET A 466 1.127 6.532 -14.979 1.00 32.20 H new ATOM 0 HA MET A 466 1.724 3.774 -14.141 1.00 61.31 H new ATOM 0 HB2 MET A 466 0.760 6.075 -12.411 1.00 11.35 H new ATOM 0 HB3 MET A 466 0.380 4.424 -11.964 1.00 11.35 H new ATOM 0 HG2 MET A 466 2.314 5.204 -10.715 1.00 24.01 H new ATOM 0 HG3 MET A 466 2.777 3.887 -11.775 1.00 24.01 H new ATOM 0 HE1 MET A 466 5.950 6.238 -11.463 1.00 31.03 H new ATOM 0 HE2 MET A 466 4.689 6.020 -10.226 1.00 31.03 H new ATOM 0 HE3 MET A 466 5.293 4.616 -11.138 1.00 31.03 H new ATOM 1118 N ASN A 467 -1.106 5.005 -15.290 1.00 62.02 N ATOM 1119 CA ASN A 467 -2.328 4.442 -15.856 1.00 74.40 C ATOM 1120 C ASN A 467 -1.893 3.457 -17.012 1.00 13.14 C ATOM 1121 O ASN A 467 -1.123 3.866 -17.879 1.00 5.22 O ATOM 1122 CB ASN A 467 -3.428 5.497 -16.287 1.00 31.23 C ATOM 1123 CG ASN A 467 -3.089 6.649 -17.260 1.00 41.43 C ATOM 1124 OD1 ASN A 467 -3.646 7.740 -17.109 1.00 10.14 O ATOM 1125 ND2 ASN A 467 -2.258 6.460 -18.263 1.00 45.10 N ATOM 0 H ASN A 467 -0.874 5.953 -15.586 1.00 62.02 H new ATOM 0 HA ASN A 467 -2.859 3.898 -15.074 1.00 74.40 H new ATOM 0 HB2 ASN A 467 -4.251 4.937 -16.730 1.00 31.23 H new ATOM 0 HB3 ASN A 467 -3.808 5.953 -15.373 1.00 31.23 H new ATOM 0 HD21 ASN A 467 -2.071 7.217 -18.920 1.00 45.10 H new ATOM 0 HD22 ASN A 467 -1.800 5.556 -18.383 1.00 45.10 H new ATOM 1132 N GLY A 468 -2.318 2.163 -17.037 1.00 75.43 N ATOM 1133 CA GLY A 468 -1.781 1.239 -18.078 1.00 64.34 C ATOM 1134 C GLY A 468 -0.577 0.298 -17.762 1.00 74.21 C ATOM 1135 O GLY A 468 -0.028 -0.212 -18.731 1.00 33.41 O ATOM 0 H GLY A 468 -2.991 1.753 -16.390 1.00 75.43 H new ATOM 0 HA2 GLY A 468 -2.607 0.606 -18.402 1.00 64.34 H new ATOM 0 HA3 GLY A 468 -1.494 1.851 -18.933 1.00 64.34 H new ATOM 1139 N PHE A 469 -0.122 0.025 -16.504 1.00 32.43 N ATOM 1140 CA PHE A 469 1.152 -0.763 -16.347 1.00 11.53 C ATOM 1141 C PHE A 469 0.828 -2.308 -16.421 1.00 21.13 C ATOM 1142 O PHE A 469 0.138 -2.829 -15.539 1.00 62.21 O ATOM 1143 CB PHE A 469 1.934 -0.403 -15.010 1.00 71.32 C ATOM 1144 CG PHE A 469 3.477 -0.457 -15.058 1.00 73.30 C ATOM 1145 CD1 PHE A 469 4.176 -1.591 -15.476 1.00 13.21 C ATOM 1146 CD2 PHE A 469 4.233 0.638 -14.641 1.00 44.13 C ATOM 1147 CE1 PHE A 469 5.573 -1.619 -15.481 1.00 21.04 C ATOM 1148 CE2 PHE A 469 5.621 0.601 -14.641 1.00 42.02 C ATOM 1149 CZ PHE A 469 6.280 -0.523 -15.062 1.00 63.50 C ATOM 0 H PHE A 469 -0.575 0.312 -15.636 1.00 32.43 H new ATOM 0 HA PHE A 469 1.817 -0.492 -17.167 1.00 11.53 H new ATOM 0 HB2 PHE A 469 1.640 0.602 -14.707 1.00 71.32 H new ATOM 0 HB3 PHE A 469 1.596 -1.083 -14.228 1.00 71.32 H new ATOM 0 HD1 PHE A 469 3.627 -2.462 -15.801 1.00 13.21 H new ATOM 0 HD2 PHE A 469 3.728 1.534 -14.311 1.00 44.13 H new ATOM 0 HE1 PHE A 469 6.095 -2.504 -15.815 1.00 21.04 H new ATOM 0 HE2 PHE A 469 6.183 1.461 -14.308 1.00 42.02 H new ATOM 0 HZ PHE A 469 7.360 -0.546 -15.064 1.00 63.50 H new ATOM 1159 N GLN A 470 1.278 -3.022 -17.505 1.00 33.23 N ATOM 1160 CA GLN A 470 0.962 -4.470 -17.722 1.00 25.43 C ATOM 1161 C GLN A 470 2.131 -5.447 -17.250 1.00 35.41 C ATOM 1162 O GLN A 470 3.248 -5.338 -17.753 1.00 21.45 O ATOM 1163 CB GLN A 470 0.646 -4.569 -19.241 1.00 25.43 C ATOM 1164 CG GLN A 470 0.255 -5.938 -19.853 1.00 3.51 C ATOM 1165 CD GLN A 470 -0.184 -5.859 -21.310 1.00 33.55 C ATOM 1166 OE1 GLN A 470 -0.086 -6.837 -22.032 1.00 44.44 O ATOM 1167 NE2 GLN A 470 -0.614 -4.699 -21.766 1.00 61.43 N ATOM 0 H GLN A 470 1.859 -2.616 -18.238 1.00 33.23 H new ATOM 0 HA GLN A 470 0.121 -4.800 -17.113 1.00 25.43 H new ATOM 0 HB2 GLN A 470 -0.167 -3.874 -19.451 1.00 25.43 H new ATOM 0 HB3 GLN A 470 1.522 -4.208 -19.781 1.00 25.43 H new ATOM 0 HG2 GLN A 470 1.105 -6.616 -19.776 1.00 3.51 H new ATOM 0 HG3 GLN A 470 -0.553 -6.371 -19.263 1.00 3.51 H new ATOM 0 HE21 GLN A 470 -0.685 -3.899 -21.138 1.00 61.43 H new ATOM 0 HE22 GLN A 470 -0.875 -4.602 -22.747 1.00 61.43 H new ATOM 1176 N ILE A 471 1.868 -6.396 -16.259 1.00 10.33 N ATOM 1177 CA ILE A 471 2.934 -7.290 -15.618 1.00 52.22 C ATOM 1178 C ILE A 471 2.262 -8.668 -15.258 1.00 21.55 C ATOM 1179 O ILE A 471 1.665 -8.754 -14.174 1.00 70.21 O ATOM 1180 CB ILE A 471 3.530 -6.705 -14.243 1.00 21.31 C ATOM 1181 CG1 ILE A 471 3.459 -5.151 -14.225 1.00 22.34 C ATOM 1182 CG2 ILE A 471 4.980 -7.158 -13.981 1.00 45.41 C ATOM 1183 CD1 ILE A 471 4.038 -4.425 -12.999 1.00 22.12 C ATOM 0 H ILE A 471 0.932 -6.560 -15.889 1.00 10.33 H new ATOM 0 HA ILE A 471 3.749 -7.368 -16.338 1.00 52.22 H new ATOM 0 HB ILE A 471 2.908 -7.110 -13.445 1.00 21.31 H new ATOM 0 HG12 ILE A 471 3.977 -4.781 -15.110 1.00 22.34 H new ATOM 0 HG13 ILE A 471 2.413 -4.862 -14.324 1.00 22.34 H new ATOM 0 HG21 ILE A 471 5.330 -6.733 -13.040 1.00 45.41 H new ATOM 0 HG22 ILE A 471 5.017 -8.246 -13.924 1.00 45.41 H new ATOM 0 HG23 ILE A 471 5.621 -6.816 -14.794 1.00 45.41 H new ATOM 0 HD11 ILE A 471 3.920 -3.349 -13.124 1.00 22.12 H new ATOM 0 HD12 ILE A 471 3.508 -4.746 -12.102 1.00 22.12 H new ATOM 0 HD13 ILE A 471 5.097 -4.665 -12.901 1.00 22.12 H new ATOM 1195 N GLY A 472 2.291 -9.732 -16.137 1.00 35.34 N ATOM 1196 CA GLY A 472 1.592 -10.986 -15.802 1.00 22.23 C ATOM 1197 C GLY A 472 0.041 -10.856 -15.914 1.00 64.21 C ATOM 1198 O GLY A 472 -0.459 -10.115 -16.766 1.00 15.40 O ATOM 0 H GLY A 472 2.772 -9.731 -17.036 1.00 35.34 H new ATOM 0 HA2 GLY A 472 1.936 -11.778 -16.467 1.00 22.23 H new ATOM 0 HA3 GLY A 472 1.856 -11.285 -14.787 1.00 22.23 H new ATOM 1202 N MET A 473 -0.710 -11.570 -15.054 1.00 24.00 N ATOM 1203 CA MET A 473 -2.228 -11.574 -15.081 1.00 34.11 C ATOM 1204 C MET A 473 -2.895 -10.495 -14.151 1.00 5.53 C ATOM 1205 O MET A 473 -3.968 -10.731 -13.587 1.00 73.23 O ATOM 1206 CB MET A 473 -2.777 -13.039 -14.877 1.00 0.23 C ATOM 1207 CG MET A 473 -2.674 -13.694 -13.482 1.00 35.01 C ATOM 1208 SD MET A 473 -3.268 -15.405 -13.472 1.00 45.40 S ATOM 1209 CE MET A 473 -2.018 -16.224 -14.473 1.00 30.43 C ATOM 0 H MET A 473 -0.312 -12.159 -14.323 1.00 24.00 H new ATOM 0 HA MET A 473 -2.535 -11.251 -16.076 1.00 34.11 H new ATOM 0 HB2 MET A 473 -3.829 -13.038 -15.162 1.00 0.23 H new ATOM 0 HB3 MET A 473 -2.256 -13.686 -15.583 1.00 0.23 H new ATOM 0 HG2 MET A 473 -1.636 -13.671 -13.150 1.00 35.01 H new ATOM 0 HG3 MET A 473 -3.251 -13.109 -12.766 1.00 35.01 H new ATOM 0 HE1 MET A 473 -2.059 -17.299 -14.298 1.00 30.43 H new ATOM 0 HE2 MET A 473 -2.205 -16.020 -15.527 1.00 30.43 H new ATOM 0 HE3 MET A 473 -1.031 -15.850 -14.201 1.00 30.43 H new ATOM 1219 N LYS A 474 -2.261 -9.293 -14.015 1.00 25.23 N ATOM 1220 CA LYS A 474 -2.888 -8.122 -13.373 1.00 73.31 C ATOM 1221 C LYS A 474 -2.551 -6.847 -14.197 1.00 23.40 C ATOM 1222 O LYS A 474 -1.460 -6.772 -14.777 1.00 30.35 O ATOM 1223 CB LYS A 474 -2.383 -7.832 -11.929 1.00 73.30 C ATOM 1224 CG LYS A 474 -2.914 -8.706 -10.755 1.00 5.35 C ATOM 1225 CD LYS A 474 -4.223 -8.130 -10.199 1.00 14.33 C ATOM 1226 CE LYS A 474 -4.735 -8.883 -8.959 1.00 63.41 C ATOM 1227 NZ LYS A 474 -3.616 -9.369 -8.101 1.00 43.52 N ATOM 0 H LYS A 474 -1.312 -9.121 -14.347 1.00 25.23 H new ATOM 0 HA LYS A 474 -3.952 -8.356 -13.332 1.00 73.31 H new ATOM 0 HB2 LYS A 474 -1.296 -7.917 -11.937 1.00 73.30 H new ATOM 0 HB3 LYS A 474 -2.620 -6.793 -11.700 1.00 73.30 H new ATOM 0 HG2 LYS A 474 -3.078 -9.727 -11.100 1.00 5.35 H new ATOM 0 HG3 LYS A 474 -2.166 -8.753 -9.963 1.00 5.35 H new ATOM 0 HD2 LYS A 474 -4.072 -7.081 -9.943 1.00 14.33 H new ATOM 0 HD3 LYS A 474 -4.986 -8.162 -10.977 1.00 14.33 H new ATOM 0 HE2 LYS A 474 -5.380 -8.226 -8.376 1.00 63.41 H new ATOM 0 HE3 LYS A 474 -5.344 -9.730 -9.275 1.00 63.41 H new ATOM 0 HZ1 LYS A 474 -3.995 -9.703 -7.192 1.00 43.52 H new ATOM 0 HZ2 LYS A 474 -3.126 -10.151 -8.580 1.00 43.52 H new ATOM 0 HZ3 LYS A 474 -2.946 -8.592 -7.932 1.00 43.52 H new ATOM 1241 N ARG A 475 -3.467 -5.856 -14.272 1.00 60.53 N ATOM 1242 CA ARG A 475 -3.070 -4.475 -14.650 1.00 31.22 C ATOM 1243 C ARG A 475 -3.023 -3.523 -13.395 1.00 14.12 C ATOM 1244 O ARG A 475 -3.874 -3.653 -12.525 1.00 14.30 O ATOM 1245 CB ARG A 475 -4.049 -3.840 -15.709 1.00 13.30 C ATOM 1246 CG ARG A 475 -3.566 -2.530 -16.346 1.00 32.24 C ATOM 1247 CD ARG A 475 -3.199 -2.733 -17.830 1.00 2.25 C ATOM 1248 NE ARG A 475 -2.689 -4.098 -18.091 1.00 42.13 N ATOM 1249 CZ ARG A 475 -3.358 -5.068 -18.772 1.00 0.41 C ATOM 1250 NH1 ARG A 475 -4.570 -4.847 -19.296 1.00 73.34 N ATOM 1251 NH2 ARG A 475 -2.868 -6.297 -18.818 1.00 61.45 N ATOM 0 H ARG A 475 -4.462 -5.977 -14.082 1.00 60.53 H new ATOM 0 HA ARG A 475 -2.076 -4.565 -15.088 1.00 31.22 H new ATOM 0 HB2 ARG A 475 -4.222 -4.568 -16.502 1.00 13.30 H new ATOM 0 HB3 ARG A 475 -5.010 -3.658 -15.228 1.00 13.30 H new ATOM 0 HG2 ARG A 475 -4.345 -1.773 -16.262 1.00 32.24 H new ATOM 0 HG3 ARG A 475 -2.698 -2.156 -15.802 1.00 32.24 H new ATOM 0 HD2 ARG A 475 -4.077 -2.549 -18.449 1.00 2.25 H new ATOM 0 HD3 ARG A 475 -2.445 -2.002 -18.121 1.00 2.25 H new ATOM 0 HE ARG A 475 -1.763 -4.330 -17.732 1.00 42.13 H new ATOM 0 HH11 ARG A 475 -5.013 -3.935 -19.189 1.00 73.34 H new ATOM 0 HH12 ARG A 475 -5.050 -5.591 -19.802 1.00 73.34 H new ATOM 0 HH21 ARG A 475 -1.992 -6.515 -18.344 1.00 61.45 H new ATOM 0 HH22 ARG A 475 -3.367 -7.026 -19.328 1.00 61.45 H new ATOM 1265 N LEU A 476 -2.029 -2.584 -13.292 1.00 51.23 N ATOM 1266 CA LEU A 476 -2.113 -1.409 -12.351 1.00 11.44 C ATOM 1267 C LEU A 476 -3.286 -0.414 -12.790 1.00 54.43 C ATOM 1268 O LEU A 476 -3.343 -0.051 -13.972 1.00 44.21 O ATOM 1269 CB LEU A 476 -0.761 -0.593 -12.382 1.00 63.24 C ATOM 1270 CG LEU A 476 -0.350 0.263 -11.155 1.00 53.44 C ATOM 1271 CD1 LEU A 476 0.426 -0.519 -10.079 1.00 54.54 C ATOM 1272 CD2 LEU A 476 0.534 1.406 -11.594 1.00 22.11 C ATOM 0 H LEU A 476 -1.169 -2.614 -13.840 1.00 51.23 H new ATOM 0 HA LEU A 476 -2.307 -1.800 -11.352 1.00 11.44 H new ATOM 0 HB2 LEU A 476 0.044 -1.304 -12.567 1.00 63.24 H new ATOM 0 HB3 LEU A 476 -0.802 0.073 -13.244 1.00 63.24 H new ATOM 0 HG LEU A 476 -1.288 0.607 -10.719 1.00 53.44 H new ATOM 0 HD11 LEU A 476 0.677 0.148 -9.255 1.00 54.54 H new ATOM 0 HD12 LEU A 476 -0.191 -1.338 -9.708 1.00 54.54 H new ATOM 0 HD13 LEU A 476 1.342 -0.922 -10.512 1.00 54.54 H new ATOM 0 HD21 LEU A 476 0.817 2.001 -10.726 1.00 22.11 H new ATOM 0 HD22 LEU A 476 1.431 1.010 -12.071 1.00 22.11 H new ATOM 0 HD23 LEU A 476 -0.007 2.033 -12.303 1.00 22.11 H new ATOM 1284 N LYS A 477 -4.223 0.020 -11.872 1.00 41.31 N ATOM 1285 CA LYS A 477 -5.210 1.149 -12.201 1.00 73.44 C ATOM 1286 C LYS A 477 -5.216 2.228 -11.019 1.00 24.20 C ATOM 1287 O LYS A 477 -5.673 1.919 -9.924 1.00 2.32 O ATOM 1288 CB LYS A 477 -6.662 0.629 -12.643 1.00 13.05 C ATOM 1289 CG LYS A 477 -7.904 1.650 -12.783 1.00 50.24 C ATOM 1290 CD LYS A 477 -7.587 3.006 -13.454 1.00 50.51 C ATOM 1291 CE LYS A 477 -8.788 3.988 -13.407 1.00 33.54 C ATOM 1292 NZ LYS A 477 -8.334 5.402 -13.252 1.00 3.40 N ATOM 0 H LYS A 477 -4.324 -0.368 -10.934 1.00 41.31 H new ATOM 0 HA LYS A 477 -4.858 1.659 -13.098 1.00 73.44 H new ATOM 0 HB2 LYS A 477 -6.544 0.136 -13.608 1.00 13.05 H new ATOM 0 HB3 LYS A 477 -6.958 -0.138 -11.927 1.00 13.05 H new ATOM 0 HG2 LYS A 477 -8.691 1.159 -13.354 1.00 50.24 H new ATOM 0 HG3 LYS A 477 -8.305 1.843 -11.788 1.00 50.24 H new ATOM 0 HD2 LYS A 477 -6.730 3.461 -12.958 1.00 50.51 H new ATOM 0 HD3 LYS A 477 -7.301 2.836 -14.492 1.00 50.51 H new ATOM 0 HE2 LYS A 477 -9.374 3.891 -14.321 1.00 33.54 H new ATOM 0 HE3 LYS A 477 -9.444 3.723 -12.578 1.00 33.54 H new ATOM 0 HZ1 LYS A 477 -9.154 6.010 -13.055 1.00 3.40 H new ATOM 0 HZ2 LYS A 477 -7.658 5.465 -12.464 1.00 3.40 H new ATOM 0 HZ3 LYS A 477 -7.873 5.717 -14.129 1.00 3.40 H new ATOM 1306 N VAL A 478 -4.692 3.492 -11.254 1.00 44.50 N ATOM 1307 CA VAL A 478 -4.458 4.541 -10.201 1.00 13.21 C ATOM 1308 C VAL A 478 -5.706 5.501 -10.010 1.00 52.43 C ATOM 1309 O VAL A 478 -6.339 5.855 -11.009 1.00 63.14 O ATOM 1310 CB VAL A 478 -3.124 5.342 -10.619 1.00 51.31 C ATOM 1311 CG1 VAL A 478 -3.132 6.862 -10.442 1.00 4.23 C ATOM 1312 CG2 VAL A 478 -1.886 4.805 -9.906 1.00 44.34 C ATOM 0 H VAL A 478 -4.422 3.803 -12.187 1.00 44.50 H new ATOM 0 HA VAL A 478 -4.325 4.070 -9.227 1.00 13.21 H new ATOM 0 HB VAL A 478 -3.096 5.158 -11.693 1.00 51.31 H new ATOM 0 HG11 VAL A 478 -2.173 7.271 -10.761 1.00 4.23 H new ATOM 0 HG12 VAL A 478 -3.930 7.294 -11.046 1.00 4.23 H new ATOM 0 HG13 VAL A 478 -3.298 7.105 -9.393 1.00 4.23 H new ATOM 0 HG21 VAL A 478 -1.011 5.375 -10.218 1.00 44.34 H new ATOM 0 HG22 VAL A 478 -2.016 4.902 -8.828 1.00 44.34 H new ATOM 0 HG23 VAL A 478 -1.746 3.755 -10.162 1.00 44.34 H new ATOM 1322 N GLN A 479 -6.096 5.891 -8.732 1.00 5.11 N ATOM 1323 CA GLN A 479 -7.202 6.830 -8.501 1.00 15.02 C ATOM 1324 C GLN A 479 -6.756 7.947 -7.502 1.00 5.34 C ATOM 1325 O GLN A 479 -6.101 7.622 -6.522 1.00 63.12 O ATOM 1326 CB GLN A 479 -8.489 6.025 -7.984 1.00 72.34 C ATOM 1327 CG GLN A 479 -8.177 4.942 -6.912 1.00 14.31 C ATOM 1328 CD GLN A 479 -8.667 5.291 -5.509 1.00 21.32 C ATOM 1329 OE1 GLN A 479 -8.002 6.026 -4.782 1.00 25.05 O ATOM 1330 NE2 GLN A 479 -9.777 4.689 -5.070 1.00 62.51 N ATOM 0 H GLN A 479 -5.648 5.557 -7.879 1.00 5.11 H new ATOM 0 HA GLN A 479 -7.475 7.325 -9.433 1.00 15.02 H new ATOM 0 HB2 GLN A 479 -9.205 6.735 -7.569 1.00 72.34 H new ATOM 0 HB3 GLN A 479 -8.971 5.547 -8.837 1.00 72.34 H new ATOM 0 HG2 GLN A 479 -8.632 4.000 -7.220 1.00 14.31 H new ATOM 0 HG3 GLN A 479 -7.100 4.780 -6.879 1.00 14.31 H new ATOM 0 HE21 GLN A 479 -10.310 4.084 -5.695 1.00 62.51 H new ATOM 0 HE22 GLN A 479 -10.091 4.835 -4.110 1.00 62.51 H new