USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 597 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 464 GLN : amide:sc= -0.12 K(o=-0.17,f=-2) USER MOD Set 1.2: A 467 ASN : amide:sc= -0.0464 K(o=-0.17,f=-2!) USER MOD Set 2.1: A 453 TYR OH : rot -158:sc= -0.189 USER MOD Set 2.2: A 458 SER OG : rot -106:sc= 0.483 USER MOD Single : A 398 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.71) USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.88) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 423 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.24) USER MOD Single : A 424 MET CE :methyl -156:sc=-0.00102 (180deg=-0.149) USER MOD Single : A 426 MET CE :methyl -159:sc= -0.0188 (180deg=-1.02) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 433 SER OG : rot 11:sc= -0.391 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 SER OG : rot -40:sc= -1.35 USER MOD Single : A 455 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.1!) USER MOD Single : A 460 GLN : amide:sc= -0.335 K(o=-0.33,f=-5.8!) USER MOD Single : A 466 MET CE :methyl 165:sc= 0 (180deg=-0.234) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.0525 X(o=-0.052,f=-0.29) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -1.945 -7.127 6.754 1.00 52.03 N ATOM 57 CA GLN A 398 -1.100 -6.971 5.568 1.00 4.44 C ATOM 58 C GLN A 398 -0.114 -8.155 5.453 1.00 12.21 C ATOM 59 O GLN A 398 0.635 -8.427 6.395 1.00 64.41 O ATOM 60 CB GLN A 398 -0.314 -5.602 5.610 1.00 21.02 C ATOM 61 CG GLN A 398 0.473 -5.253 6.934 1.00 72.20 C ATOM 62 CD GLN A 398 -0.398 -4.881 8.153 1.00 22.11 C ATOM 63 OE1 GLN A 398 -1.497 -4.344 8.010 1.00 74.33 O ATOM 64 NE2 GLN A 398 0.093 -5.187 9.364 1.00 74.31 N ATOM 0 HA GLN A 398 -1.745 -6.964 4.689 1.00 4.44 H new ATOM 0 HB2 GLN A 398 0.398 -5.597 4.785 1.00 21.02 H new ATOM 0 HB3 GLN A 398 -1.027 -4.799 5.421 1.00 21.02 H new ATOM 0 HG2 GLN A 398 1.094 -6.108 7.202 1.00 72.20 H new ATOM 0 HG3 GLN A 398 1.147 -4.422 6.726 1.00 72.20 H new ATOM 0 HE21 GLN A 398 1.007 -5.632 9.446 1.00 74.31 H new ATOM 0 HE22 GLN A 398 -0.448 -4.975 10.202 1.00 74.31 H new ATOM 73 N LYS A 399 -0.131 -8.882 4.318 1.00 11.42 N ATOM 74 CA LYS A 399 0.769 -10.044 4.200 1.00 24.44 C ATOM 75 C LYS A 399 2.009 -9.597 3.426 1.00 31.44 C ATOM 76 O LYS A 399 1.933 -9.329 2.225 1.00 22.12 O ATOM 77 CB LYS A 399 0.133 -11.315 3.451 1.00 2.43 C ATOM 78 CG LYS A 399 -1.353 -11.751 3.760 1.00 14.23 C ATOM 79 CD LYS A 399 -1.637 -13.288 3.526 1.00 51.25 C ATOM 80 CE LYS A 399 -0.958 -14.165 4.596 1.00 61.03 C ATOM 81 NZ LYS A 399 -1.025 -15.616 4.249 1.00 34.20 N ATOM 0 H LYS A 399 -0.725 -8.699 3.509 1.00 11.42 H new ATOM 0 HA LYS A 399 0.991 -10.373 5.215 1.00 24.44 H new ATOM 0 HB2 LYS A 399 0.199 -11.127 2.379 1.00 2.43 H new ATOM 0 HB3 LYS A 399 0.773 -12.171 3.665 1.00 2.43 H new ATOM 0 HG2 LYS A 399 -1.585 -11.503 4.796 1.00 14.23 H new ATOM 0 HG3 LYS A 399 -2.029 -11.168 3.134 1.00 14.23 H new ATOM 0 HD2 LYS A 399 -2.712 -13.465 3.540 1.00 51.25 H new ATOM 0 HD3 LYS A 399 -1.279 -13.577 2.538 1.00 51.25 H new ATOM 0 HE2 LYS A 399 0.084 -13.865 4.704 1.00 61.03 H new ATOM 0 HE3 LYS A 399 -1.439 -13.999 5.560 1.00 61.03 H new ATOM 0 HZ1 LYS A 399 -0.558 -16.173 4.993 1.00 34.20 H new ATOM 0 HZ2 LYS A 399 -2.020 -15.909 4.171 1.00 34.20 H new ATOM 0 HZ3 LYS A 399 -0.544 -15.778 3.341 1.00 34.20 H new ATOM 95 N GLU A 400 3.149 -9.519 4.129 1.00 32.05 N ATOM 96 CA GLU A 400 4.456 -9.303 3.473 1.00 23.11 C ATOM 97 C GLU A 400 5.027 -10.680 3.112 1.00 21.25 C ATOM 98 O GLU A 400 4.818 -11.626 3.885 1.00 20.22 O ATOM 99 CB GLU A 400 5.438 -8.463 4.375 1.00 65.30 C ATOM 100 CG GLU A 400 5.559 -8.885 5.855 1.00 71.03 C ATOM 101 CD GLU A 400 6.667 -8.142 6.584 1.00 12.41 C ATOM 102 OE1 GLU A 400 7.455 -7.418 5.932 1.00 63.12 O ATOM 103 OE2 GLU A 400 6.768 -8.306 7.817 1.00 45.14 O ATOM 0 H GLU A 400 3.197 -9.601 5.145 1.00 32.05 H new ATOM 0 HA GLU A 400 4.327 -8.710 2.567 1.00 23.11 H new ATOM 0 HB2 GLU A 400 6.431 -8.506 3.927 1.00 65.30 H new ATOM 0 HB3 GLU A 400 5.120 -7.421 4.344 1.00 65.30 H new ATOM 0 HG2 GLU A 400 4.610 -8.703 6.360 1.00 71.03 H new ATOM 0 HG3 GLU A 400 5.748 -9.957 5.909 1.00 71.03 H new ATOM 110 N GLY A 401 5.666 -10.833 1.915 1.00 64.05 N ATOM 111 CA GLY A 401 6.183 -12.125 1.509 1.00 63.21 C ATOM 112 C GLY A 401 7.232 -12.684 2.474 1.00 61.15 C ATOM 113 O GLY A 401 7.895 -11.887 3.151 1.00 31.21 O ATOM 0 H GLY A 401 5.821 -10.080 1.244 1.00 64.05 H new ATOM 0 HA2 GLY A 401 5.357 -12.832 1.431 1.00 63.21 H new ATOM 0 HA3 GLY A 401 6.622 -12.038 0.515 1.00 63.21 H new ATOM 117 N PRO A 402 7.388 -14.049 2.597 1.00 62.30 N ATOM 118 CA PRO A 402 8.252 -14.686 3.608 1.00 22.24 C ATOM 119 C PRO A 402 9.729 -14.330 3.528 1.00 54.44 C ATOM 120 O PRO A 402 10.154 -13.527 2.684 1.00 50.41 O ATOM 121 CB PRO A 402 8.078 -16.201 3.363 1.00 65.44 C ATOM 122 CG PRO A 402 7.574 -16.315 1.974 1.00 34.51 C ATOM 123 CD PRO A 402 6.713 -15.108 1.799 1.00 14.52 C ATOM 0 HA PRO A 402 7.952 -14.339 4.597 1.00 22.24 H new ATOM 0 HB2 PRO A 402 9.023 -16.730 3.484 1.00 65.44 H new ATOM 0 HB3 PRO A 402 7.376 -16.637 4.074 1.00 65.44 H new ATOM 0 HG2 PRO A 402 8.392 -16.329 1.253 1.00 34.51 H new ATOM 0 HG3 PRO A 402 7.006 -17.234 1.830 1.00 34.51 H new ATOM 0 HD2 PRO A 402 6.635 -14.825 0.749 1.00 14.52 H new ATOM 0 HD3 PRO A 402 5.699 -15.289 2.156 1.00 14.52 H new ATOM 131 N GLU A 403 10.450 -14.931 4.485 1.00 62.40 N ATOM 132 CA GLU A 403 11.908 -15.026 4.519 1.00 43.12 C ATOM 133 C GLU A 403 12.597 -14.841 3.129 1.00 22.10 C ATOM 134 O GLU A 403 12.559 -15.743 2.277 1.00 51.53 O ATOM 135 CB GLU A 403 12.097 -16.496 4.956 1.00 21.53 C ATOM 136 CG GLU A 403 11.970 -16.622 6.447 1.00 1.11 C ATOM 137 CD GLU A 403 11.567 -18.010 6.914 1.00 10.15 C ATOM 138 OE1 GLU A 403 10.369 -18.356 6.768 1.00 60.20 O ATOM 139 OE2 GLU A 403 12.429 -18.738 7.444 1.00 24.42 O ATOM 0 H GLU A 403 10.011 -15.381 5.288 1.00 62.40 H new ATOM 0 HA GLU A 403 12.345 -14.254 5.153 1.00 43.12 H new ATOM 0 HB2 GLU A 403 11.353 -17.125 4.467 1.00 21.53 H new ATOM 0 HB3 GLU A 403 13.076 -16.853 4.637 1.00 21.53 H new ATOM 0 HG2 GLU A 403 12.922 -16.357 6.907 1.00 1.11 H new ATOM 0 HG3 GLU A 403 11.233 -15.902 6.801 1.00 1.11 H new ATOM 146 N GLY A 404 13.210 -13.646 2.898 1.00 63.34 N ATOM 147 CA GLY A 404 14.003 -13.437 1.717 1.00 33.01 C ATOM 148 C GLY A 404 13.457 -12.400 0.740 1.00 32.11 C ATOM 149 O GLY A 404 14.270 -11.804 0.025 1.00 40.11 O ATOM 0 H GLY A 404 13.154 -12.841 3.522 1.00 63.34 H new ATOM 0 HA2 GLY A 404 15.005 -13.133 2.021 1.00 33.01 H new ATOM 0 HA3 GLY A 404 14.103 -14.388 1.194 1.00 33.01 H new ATOM 153 N ALA A 405 12.126 -12.144 0.643 1.00 13.00 N ATOM 154 CA ALA A 405 11.716 -10.988 -0.125 1.00 23.14 C ATOM 155 C ALA A 405 10.836 -10.080 0.683 1.00 1.34 C ATOM 156 O ALA A 405 9.801 -10.501 1.201 1.00 73.01 O ATOM 157 CB ALA A 405 11.023 -11.376 -1.419 1.00 50.33 C ATOM 0 H ALA A 405 11.378 -12.695 1.064 1.00 13.00 H new ATOM 0 HA ALA A 405 12.627 -10.449 -0.385 1.00 23.14 H new ATOM 0 HB1 ALA A 405 10.734 -10.476 -1.961 1.00 50.33 H new ATOM 0 HB2 ALA A 405 11.703 -11.966 -2.033 1.00 50.33 H new ATOM 0 HB3 ALA A 405 10.134 -11.965 -1.193 1.00 50.33 H new ATOM 163 N ASN A 406 11.230 -8.824 0.760 1.00 74.11 N ATOM 164 CA ASN A 406 10.352 -7.783 1.273 1.00 62.05 C ATOM 165 C ASN A 406 10.423 -6.593 0.276 1.00 71.55 C ATOM 166 O ASN A 406 11.447 -5.900 0.271 1.00 51.24 O ATOM 167 CB ASN A 406 10.828 -7.385 2.718 1.00 24.14 C ATOM 168 CG ASN A 406 10.938 -8.540 3.719 1.00 44.20 C ATOM 169 OD1 ASN A 406 12.006 -9.146 3.875 1.00 3.00 O ATOM 170 ND2 ASN A 406 9.857 -8.839 4.426 1.00 54.32 N ATOM 0 H ASN A 406 12.153 -8.496 0.474 1.00 74.11 H new ATOM 0 HA ASN A 406 9.316 -8.113 1.355 1.00 62.05 H new ATOM 0 HB2 ASN A 406 11.802 -6.901 2.640 1.00 24.14 H new ATOM 0 HB3 ASN A 406 10.135 -6.645 3.119 1.00 24.14 H new ATOM 0 HD21 ASN A 406 9.892 -9.586 5.120 1.00 54.32 H new ATOM 0 HD22 ASN A 406 8.990 -8.322 4.276 1.00 54.32 H new ATOM 177 N LEU A 407 9.391 -6.317 -0.587 1.00 4.22 N ATOM 178 CA LEU A 407 9.616 -5.342 -1.674 1.00 52.01 C ATOM 179 C LEU A 407 8.867 -4.046 -1.304 1.00 35.43 C ATOM 180 O LEU A 407 7.649 -4.066 -1.360 1.00 44.45 O ATOM 181 CB LEU A 407 9.091 -5.984 -3.035 1.00 51.11 C ATOM 182 CG LEU A 407 9.914 -7.128 -3.727 1.00 13.53 C ATOM 183 CD1 LEU A 407 9.774 -8.493 -3.063 1.00 43.43 C ATOM 184 CD2 LEU A 407 9.506 -7.244 -5.166 1.00 71.43 C ATOM 0 H LEU A 407 8.460 -6.732 -0.548 1.00 4.22 H new ATOM 0 HA LEU A 407 10.670 -5.100 -1.807 1.00 52.01 H new ATOM 0 HB2 LEU A 407 8.090 -6.372 -2.846 1.00 51.11 H new ATOM 0 HB3 LEU A 407 8.988 -5.175 -3.758 1.00 51.11 H new ATOM 0 HG LEU A 407 10.961 -6.840 -3.629 1.00 13.53 H new ATOM 0 HD11 LEU A 407 10.374 -9.224 -3.604 1.00 43.43 H new ATOM 0 HD12 LEU A 407 10.119 -8.433 -2.031 1.00 43.43 H new ATOM 0 HD13 LEU A 407 8.728 -8.800 -3.079 1.00 43.43 H new ATOM 0 HD21 LEU A 407 10.079 -8.039 -5.644 1.00 71.43 H new ATOM 0 HD22 LEU A 407 8.443 -7.477 -5.225 1.00 71.43 H new ATOM 0 HD23 LEU A 407 9.699 -6.300 -5.676 1.00 71.43 H new ATOM 196 N PHE A 408 9.524 -2.892 -0.899 1.00 52.44 N ATOM 197 CA PHE A 408 8.646 -1.792 -0.423 1.00 63.34 C ATOM 198 C PHE A 408 8.479 -0.626 -1.449 1.00 73.12 C ATOM 199 O PHE A 408 9.395 0.184 -1.570 1.00 40.52 O ATOM 200 CB PHE A 408 9.190 -1.211 0.905 1.00 32.51 C ATOM 201 CG PHE A 408 9.358 -2.180 2.069 1.00 22.25 C ATOM 202 CD1 PHE A 408 10.498 -2.959 2.178 1.00 21.54 C ATOM 203 CD2 PHE A 408 8.393 -2.294 3.059 1.00 23.00 C ATOM 204 CE1 PHE A 408 10.669 -3.815 3.236 1.00 41.44 C ATOM 205 CE2 PHE A 408 8.560 -3.152 4.121 1.00 70.03 C ATOM 206 CZ PHE A 408 9.698 -3.922 4.214 1.00 1.15 C ATOM 0 H PHE A 408 10.530 -2.725 -0.895 1.00 52.44 H new ATOM 0 HA PHE A 408 7.663 -2.241 -0.282 1.00 63.34 H new ATOM 0 HB2 PHE A 408 10.159 -0.754 0.703 1.00 32.51 H new ATOM 0 HB3 PHE A 408 8.521 -0.412 1.224 1.00 32.51 H new ATOM 0 HD1 PHE A 408 11.263 -2.891 1.419 1.00 21.54 H new ATOM 0 HD2 PHE A 408 7.494 -1.698 2.995 1.00 23.00 H new ATOM 0 HE1 PHE A 408 11.568 -4.409 3.305 1.00 41.44 H new ATOM 0 HE2 PHE A 408 7.798 -3.222 4.883 1.00 70.03 H new ATOM 0 HZ PHE A 408 9.830 -4.602 5.042 1.00 1.15 H new ATOM 216 N ILE A 409 7.281 -0.457 -2.114 1.00 63.32 N ATOM 217 CA ILE A 409 7.165 0.537 -3.249 1.00 70.43 C ATOM 218 C ILE A 409 6.494 1.874 -2.891 1.00 42.12 C ATOM 219 O ILE A 409 5.347 1.944 -2.437 1.00 14.14 O ATOM 220 CB ILE A 409 6.534 -0.105 -4.553 1.00 52.35 C ATOM 221 CG1 ILE A 409 5.916 -1.533 -4.314 1.00 13.34 C ATOM 222 CG2 ILE A 409 7.608 -0.177 -5.651 1.00 22.44 C ATOM 223 CD1 ILE A 409 4.444 -1.582 -3.867 1.00 21.21 C ATOM 0 H ILE A 409 6.424 -0.967 -1.899 1.00 63.32 H new ATOM 0 HA ILE A 409 8.200 0.800 -3.467 1.00 70.43 H new ATOM 0 HB ILE A 409 5.709 0.538 -4.859 1.00 52.35 H new ATOM 0 HG12 ILE A 409 6.010 -2.104 -5.238 1.00 13.34 H new ATOM 0 HG13 ILE A 409 6.518 -2.043 -3.561 1.00 13.34 H new ATOM 0 HG21 ILE A 409 7.179 -0.618 -6.551 1.00 22.44 H new ATOM 0 HG22 ILE A 409 7.967 0.827 -5.875 1.00 22.44 H new ATOM 0 HG23 ILE A 409 8.440 -0.791 -5.307 1.00 22.44 H new ATOM 0 HD11 ILE A 409 4.138 -2.620 -3.737 1.00 21.21 H new ATOM 0 HD12 ILE A 409 4.333 -1.049 -2.923 1.00 21.21 H new ATOM 0 HD13 ILE A 409 3.818 -1.111 -4.625 1.00 21.21 H new ATOM 235 N TYR A 410 7.269 2.956 -3.158 1.00 32.20 N ATOM 236 CA TYR A 410 6.942 4.317 -2.692 1.00 74.12 C ATOM 237 C TYR A 410 7.356 5.351 -3.752 1.00 71.10 C ATOM 238 O TYR A 410 8.044 4.960 -4.708 1.00 71.41 O ATOM 239 CB TYR A 410 7.626 4.609 -1.314 1.00 61.53 C ATOM 240 CG TYR A 410 9.147 4.931 -1.300 1.00 60.45 C ATOM 241 CD1 TYR A 410 9.605 6.248 -1.420 1.00 33.35 C ATOM 242 CD2 TYR A 410 10.124 3.937 -1.140 1.00 10.22 C ATOM 243 CE1 TYR A 410 10.952 6.554 -1.390 1.00 34.41 C ATOM 244 CE2 TYR A 410 11.478 4.257 -1.110 1.00 71.22 C ATOM 245 CZ TYR A 410 11.878 5.557 -1.244 1.00 22.21 C ATOM 246 OH TYR A 410 13.219 5.863 -1.219 1.00 62.20 O ATOM 0 H TYR A 410 8.132 2.904 -3.699 1.00 32.20 H new ATOM 0 HA TYR A 410 5.864 4.391 -2.546 1.00 74.12 H new ATOM 0 HB2 TYR A 410 7.104 5.449 -0.855 1.00 61.53 H new ATOM 0 HB3 TYR A 410 7.463 3.743 -0.672 1.00 61.53 H new ATOM 0 HD1 TYR A 410 8.887 7.046 -1.539 1.00 33.35 H new ATOM 0 HD2 TYR A 410 9.820 2.906 -1.038 1.00 10.22 H new ATOM 0 HE1 TYR A 410 11.274 7.581 -1.482 1.00 34.41 H new ATOM 0 HE2 TYR A 410 12.214 3.477 -0.981 1.00 71.22 H new ATOM 0 HH TYR A 410 13.740 5.041 -1.108 1.00 62.20 H new ATOM 256 N HIS A 411 6.956 6.665 -3.580 1.00 62.42 N ATOM 257 CA HIS A 411 7.298 7.733 -4.539 1.00 71.31 C ATOM 258 C HIS A 411 6.619 7.475 -5.910 1.00 15.45 C ATOM 259 O HIS A 411 7.174 7.818 -6.957 1.00 40.52 O ATOM 260 CB HIS A 411 8.845 7.932 -4.659 1.00 61.34 C ATOM 261 CG HIS A 411 9.405 9.059 -3.818 1.00 23.21 C ATOM 262 ND1 HIS A 411 8.612 9.929 -3.087 1.00 14.51 N ATOM 263 CD2 HIS A 411 10.699 9.444 -3.563 1.00 1.23 C ATOM 264 CE1 HIS A 411 9.379 10.786 -2.439 1.00 61.15 C ATOM 265 NE2 HIS A 411 10.638 10.514 -2.707 1.00 61.10 N ATOM 0 H HIS A 411 6.402 6.984 -2.785 1.00 62.42 H new ATOM 0 HA HIS A 411 6.904 8.674 -4.156 1.00 71.31 H new ATOM 0 HB2 HIS A 411 9.340 7.004 -4.374 1.00 61.34 H new ATOM 0 HB3 HIS A 411 9.094 8.118 -5.704 1.00 61.34 H new ATOM 0 HD2 HIS A 411 11.594 8.990 -3.961 1.00 1.23 H new ATOM 0 HE1 HIS A 411 9.030 11.580 -1.795 1.00 61.15 H new ATOM 0 HE2 HIS A 411 11.443 11.020 -2.336 1.00 61.10 H new ATOM 274 N LEU A 412 5.412 6.839 -5.868 1.00 21.13 N ATOM 275 CA LEU A 412 4.508 6.694 -7.042 1.00 54.31 C ATOM 276 C LEU A 412 4.146 8.065 -7.670 1.00 3.44 C ATOM 277 O LEU A 412 3.854 9.030 -6.954 1.00 20.55 O ATOM 278 CB LEU A 412 3.179 5.950 -6.642 1.00 43.34 C ATOM 279 CG LEU A 412 2.381 6.575 -5.466 1.00 33.42 C ATOM 280 CD1 LEU A 412 1.121 7.352 -5.865 1.00 52.31 C ATOM 281 CD2 LEU A 412 1.991 5.549 -4.409 1.00 50.24 C ATOM 0 H LEU A 412 5.041 6.414 -5.018 1.00 21.13 H new ATOM 0 HA LEU A 412 5.052 6.105 -7.780 1.00 54.31 H new ATOM 0 HB2 LEU A 412 2.530 5.911 -7.517 1.00 43.34 H new ATOM 0 HB3 LEU A 412 3.426 4.921 -6.382 1.00 43.34 H new ATOM 0 HG LEU A 412 3.092 7.293 -5.057 1.00 33.42 H new ATOM 0 HD11 LEU A 412 0.639 7.747 -4.971 1.00 52.31 H new ATOM 0 HD12 LEU A 412 1.395 8.176 -6.523 1.00 52.31 H new ATOM 0 HD13 LEU A 412 0.432 6.686 -6.385 1.00 52.31 H new ATOM 0 HD21 LEU A 412 1.435 6.042 -3.611 1.00 50.24 H new ATOM 0 HD22 LEU A 412 1.368 4.778 -4.863 1.00 50.24 H new ATOM 0 HD23 LEU A 412 2.890 5.092 -3.996 1.00 50.24 H new ATOM 293 N PRO A 413 4.266 8.180 -9.020 1.00 61.12 N ATOM 294 CA PRO A 413 3.702 9.296 -9.831 1.00 62.44 C ATOM 295 C PRO A 413 2.163 9.341 -9.858 1.00 73.21 C ATOM 296 O PRO A 413 1.523 8.401 -9.437 1.00 32.14 O ATOM 297 CB PRO A 413 4.275 9.006 -11.219 1.00 30.35 C ATOM 298 CG PRO A 413 4.457 7.548 -11.217 1.00 62.23 C ATOM 299 CD PRO A 413 5.048 7.274 -9.888 1.00 22.53 C ATOM 0 HA PRO A 413 3.966 10.271 -9.422 1.00 62.44 H new ATOM 0 HB2 PRO A 413 3.595 9.324 -12.009 1.00 30.35 H new ATOM 0 HB3 PRO A 413 5.218 9.528 -11.381 1.00 30.35 H new ATOM 0 HG2 PRO A 413 3.510 7.025 -11.350 1.00 62.23 H new ATOM 0 HG3 PRO A 413 5.116 7.225 -12.023 1.00 62.23 H new ATOM 0 HD2 PRO A 413 4.935 6.230 -9.597 1.00 22.53 H new ATOM 0 HD3 PRO A 413 6.114 7.499 -9.860 1.00 22.53 H new ATOM 307 N GLN A 414 1.609 10.477 -10.328 1.00 2.32 N ATOM 308 CA GLN A 414 0.139 10.766 -10.371 1.00 1.30 C ATOM 309 C GLN A 414 -0.748 9.626 -11.015 1.00 13.32 C ATOM 310 O GLN A 414 -1.873 9.425 -10.555 1.00 64.54 O ATOM 311 CB GLN A 414 -0.060 12.159 -11.074 1.00 51.21 C ATOM 312 CG GLN A 414 -1.240 12.298 -12.072 1.00 61.01 C ATOM 313 CD GLN A 414 -1.133 13.577 -12.870 1.00 34.20 C ATOM 314 OE1 GLN A 414 -1.693 14.607 -12.498 1.00 42.31 O ATOM 315 NE2 GLN A 414 -0.376 13.532 -13.959 1.00 12.23 N ATOM 0 H GLN A 414 2.172 11.242 -10.699 1.00 2.32 H new ATOM 0 HA GLN A 414 -0.226 10.801 -9.344 1.00 1.30 H new ATOM 0 HB2 GLN A 414 -0.187 12.912 -10.297 1.00 51.21 H new ATOM 0 HB3 GLN A 414 0.860 12.401 -11.606 1.00 51.21 H new ATOM 0 HG2 GLN A 414 -1.250 11.444 -12.749 1.00 61.01 H new ATOM 0 HG3 GLN A 414 -2.184 12.284 -11.527 1.00 61.01 H new ATOM 0 HE21 GLN A 414 0.071 12.657 -14.233 1.00 12.23 H new ATOM 0 HE22 GLN A 414 -0.241 14.372 -14.522 1.00 12.23 H new ATOM 324 N GLU A 415 -0.251 8.872 -12.039 1.00 24.43 N ATOM 325 CA GLU A 415 -1.080 7.787 -12.656 1.00 44.53 C ATOM 326 C GLU A 415 -0.796 6.406 -11.983 1.00 52.14 C ATOM 327 O GLU A 415 -1.640 5.512 -12.053 1.00 42.02 O ATOM 328 CB GLU A 415 -0.910 7.753 -14.206 1.00 53.15 C ATOM 329 CG GLU A 415 -2.212 7.487 -15.022 1.00 63.20 C ATOM 330 CD GLU A 415 -1.967 7.517 -16.521 1.00 63.52 C ATOM 331 OE1 GLU A 415 -1.610 6.467 -17.093 1.00 12.45 O ATOM 332 OE2 GLU A 415 -2.153 8.593 -17.129 1.00 12.15 O ATOM 0 H GLU A 415 0.679 8.985 -12.442 1.00 24.43 H new ATOM 0 HA GLU A 415 -2.130 8.013 -12.468 1.00 44.53 H new ATOM 0 HB2 GLU A 415 -0.489 8.705 -14.528 1.00 53.15 H new ATOM 0 HB3 GLU A 415 -0.182 6.982 -14.457 1.00 53.15 H new ATOM 0 HG2 GLU A 415 -2.622 6.517 -14.742 1.00 63.20 H new ATOM 0 HG3 GLU A 415 -2.960 8.236 -14.763 1.00 63.20 H new ATOM 339 N PHE A 416 0.391 6.231 -11.337 1.00 4.41 N ATOM 340 CA PHE A 416 0.571 5.152 -10.287 1.00 51.43 C ATOM 341 C PHE A 416 -0.161 5.523 -8.951 1.00 22.32 C ATOM 342 O PHE A 416 -0.535 6.679 -8.745 1.00 1.30 O ATOM 343 CB PHE A 416 2.057 4.687 -10.043 1.00 3.15 C ATOM 344 CG PHE A 416 2.714 3.795 -11.095 1.00 54.35 C ATOM 345 CD1 PHE A 416 2.186 3.564 -12.369 1.00 52.40 C ATOM 346 CD2 PHE A 416 3.894 3.147 -10.754 1.00 62.02 C ATOM 347 CE1 PHE A 416 2.835 2.724 -13.268 1.00 5.44 C ATOM 348 CE2 PHE A 416 4.539 2.310 -11.645 1.00 13.10 C ATOM 349 CZ PHE A 416 4.007 2.101 -12.899 1.00 1.31 C ATOM 0 H PHE A 416 1.222 6.797 -11.508 1.00 4.41 H new ATOM 0 HA PHE A 416 0.089 4.271 -10.711 1.00 51.43 H new ATOM 0 HB2 PHE A 416 2.672 5.580 -9.932 1.00 3.15 H new ATOM 0 HB3 PHE A 416 2.089 4.158 -9.090 1.00 3.15 H new ATOM 0 HD1 PHE A 416 1.263 4.044 -12.659 1.00 52.40 H new ATOM 0 HD2 PHE A 416 4.317 3.300 -9.772 1.00 62.02 H new ATOM 0 HE1 PHE A 416 2.421 2.561 -14.252 1.00 5.44 H new ATOM 0 HE2 PHE A 416 5.458 1.821 -11.359 1.00 13.10 H new ATOM 0 HZ PHE A 416 4.511 1.446 -13.595 1.00 1.31 H new ATOM 359 N GLY A 417 -0.409 4.528 -8.056 1.00 74.43 N ATOM 360 CA GLY A 417 -1.551 4.604 -7.102 1.00 43.23 C ATOM 361 C GLY A 417 -2.004 3.195 -6.631 1.00 23.04 C ATOM 362 O GLY A 417 -1.327 2.224 -6.960 1.00 61.44 O ATOM 0 H GLY A 417 0.153 3.681 -7.975 1.00 74.43 H new ATOM 0 HA2 GLY A 417 -1.263 5.201 -6.237 1.00 43.23 H new ATOM 0 HA3 GLY A 417 -2.388 5.115 -7.577 1.00 43.23 H new ATOM 366 N ASP A 418 -3.141 3.056 -5.868 1.00 41.14 N ATOM 367 CA ASP A 418 -3.443 1.771 -5.156 1.00 71.22 C ATOM 368 C ASP A 418 -4.093 0.626 -5.995 1.00 3.32 C ATOM 369 O ASP A 418 -3.601 -0.495 -5.865 1.00 52.33 O ATOM 370 CB ASP A 418 -4.212 1.940 -3.809 1.00 61.31 C ATOM 371 CG ASP A 418 -5.320 2.983 -3.858 1.00 23.43 C ATOM 372 OD1 ASP A 418 -6.352 2.727 -4.511 1.00 72.24 O ATOM 373 OD2 ASP A 418 -5.164 4.059 -3.234 1.00 62.44 O ATOM 0 H ASP A 418 -3.837 3.790 -5.735 1.00 41.14 H new ATOM 0 HA ASP A 418 -2.427 1.438 -4.942 1.00 71.22 H new ATOM 0 HB2 ASP A 418 -4.643 0.980 -3.525 1.00 61.31 H new ATOM 0 HB3 ASP A 418 -3.502 2.215 -3.029 1.00 61.31 H new ATOM 378 N GLN A 419 -5.183 0.809 -6.819 1.00 15.14 N ATOM 379 CA GLN A 419 -5.655 -0.343 -7.620 1.00 52.22 C ATOM 380 C GLN A 419 -4.710 -0.553 -8.849 1.00 31.11 C ATOM 381 O GLN A 419 -4.771 -1.618 -9.481 1.00 44.20 O ATOM 382 CB GLN A 419 -7.180 -0.278 -8.029 1.00 14.21 C ATOM 383 CG GLN A 419 -7.561 0.877 -8.966 1.00 71.22 C ATOM 384 CD GLN A 419 -7.793 0.426 -10.405 1.00 20.40 C ATOM 385 OE1 GLN A 419 -8.901 0.054 -10.772 1.00 10.03 O ATOM 386 NE2 GLN A 419 -6.772 0.481 -11.239 1.00 41.41 N ATOM 0 H GLN A 419 -5.705 1.678 -6.932 1.00 15.14 H new ATOM 0 HA GLN A 419 -5.601 -1.220 -6.975 1.00 52.22 H new ATOM 0 HB2 GLN A 419 -7.450 -1.218 -8.510 1.00 14.21 H new ATOM 0 HB3 GLN A 419 -7.779 -0.200 -7.122 1.00 14.21 H new ATOM 0 HG2 GLN A 419 -8.465 1.358 -8.592 1.00 71.22 H new ATOM 0 HG3 GLN A 419 -6.770 1.627 -8.949 1.00 71.22 H new ATOM 0 HE21 GLN A 419 -5.859 0.794 -10.908 1.00 41.41 H new ATOM 0 HE22 GLN A 419 -6.895 0.210 -12.215 1.00 41.41 H new ATOM 395 N ASP A 420 -3.809 0.447 -9.186 1.00 2.51 N ATOM 396 CA ASP A 420 -2.847 0.281 -10.277 1.00 63.01 C ATOM 397 C ASP A 420 -1.564 -0.452 -9.797 1.00 52.43 C ATOM 398 O ASP A 420 -0.746 -0.889 -10.604 1.00 14.22 O ATOM 399 CB ASP A 420 -2.578 1.653 -10.982 1.00 65.12 C ATOM 400 CG ASP A 420 -1.121 1.929 -11.331 1.00 22.23 C ATOM 401 OD1 ASP A 420 -0.348 2.280 -10.417 1.00 72.44 O ATOM 402 OD2 ASP A 420 -0.747 1.742 -12.507 1.00 24.33 O ATOM 0 H ASP A 420 -3.754 1.347 -8.710 1.00 2.51 H new ATOM 0 HA ASP A 420 -3.276 -0.371 -11.038 1.00 63.01 H new ATOM 0 HB2 ASP A 420 -3.168 1.695 -11.897 1.00 65.12 H new ATOM 0 HB3 ASP A 420 -2.937 2.453 -10.334 1.00 65.12 H new ATOM 407 N ILE A 421 -1.412 -0.606 -8.475 1.00 24.30 N ATOM 408 CA ILE A 421 -0.174 -1.148 -7.862 1.00 42.11 C ATOM 409 C ILE A 421 0.105 -2.635 -8.272 1.00 20.12 C ATOM 410 O ILE A 421 1.229 -3.128 -8.142 1.00 15.13 O ATOM 411 CB ILE A 421 -0.214 -0.894 -6.302 1.00 64.01 C ATOM 412 CG1 ILE A 421 1.142 -0.344 -5.778 1.00 24.21 C ATOM 413 CG2 ILE A 421 -0.666 -2.131 -5.481 1.00 30.03 C ATOM 414 CD1 ILE A 421 1.000 0.678 -4.641 1.00 2.10 C ATOM 0 H ILE A 421 -2.134 -0.363 -7.797 1.00 24.30 H new ATOM 0 HA ILE A 421 0.689 -0.613 -8.257 1.00 42.11 H new ATOM 0 HB ILE A 421 -0.979 -0.132 -6.150 1.00 64.01 H new ATOM 0 HG12 ILE A 421 1.751 -1.178 -5.430 1.00 24.21 H new ATOM 0 HG13 ILE A 421 1.679 0.120 -6.605 1.00 24.21 H new ATOM 0 HG21 ILE A 421 -0.669 -1.882 -4.420 1.00 30.03 H new ATOM 0 HG22 ILE A 421 -1.670 -2.424 -5.788 1.00 30.03 H new ATOM 0 HG23 ILE A 421 0.023 -2.957 -5.658 1.00 30.03 H new ATOM 0 HD11 ILE A 421 1.989 1.015 -4.329 1.00 2.10 H new ATOM 0 HD12 ILE A 421 0.419 1.532 -4.990 1.00 2.10 H new ATOM 0 HD13 ILE A 421 0.492 0.214 -3.796 1.00 2.10 H new ATOM 426 N LEU A 422 -0.934 -3.323 -8.767 1.00 23.04 N ATOM 427 CA LEU A 422 -0.830 -4.664 -9.272 1.00 63.42 C ATOM 428 C LEU A 422 -0.539 -4.682 -10.817 1.00 34.32 C ATOM 429 O LEU A 422 -0.095 -5.706 -11.334 1.00 23.21 O ATOM 430 CB LEU A 422 -2.018 -5.610 -8.819 1.00 51.24 C ATOM 431 CG LEU A 422 -3.484 -5.072 -8.628 1.00 31.24 C ATOM 432 CD1 LEU A 422 -4.487 -6.212 -8.859 1.00 23.01 C ATOM 433 CD2 LEU A 422 -3.691 -4.564 -7.190 1.00 41.12 C ATOM 0 H LEU A 422 -1.878 -2.940 -8.820 1.00 23.04 H new ATOM 0 HA LEU A 422 0.044 -5.110 -8.798 1.00 63.42 H new ATOM 0 HB2 LEU A 422 -2.072 -6.418 -9.548 1.00 51.24 H new ATOM 0 HB3 LEU A 422 -1.721 -6.056 -7.870 1.00 51.24 H new ATOM 0 HG LEU A 422 -3.639 -4.261 -9.340 1.00 31.24 H new ATOM 0 HD11 LEU A 422 -5.502 -5.836 -8.726 1.00 23.01 H new ATOM 0 HD12 LEU A 422 -4.373 -6.598 -9.872 1.00 23.01 H new ATOM 0 HD13 LEU A 422 -4.300 -7.012 -8.143 1.00 23.01 H new ATOM 0 HD21 LEU A 422 -4.711 -4.196 -7.077 1.00 41.12 H new ATOM 0 HD22 LEU A 422 -3.520 -5.380 -6.488 1.00 41.12 H new ATOM 0 HD23 LEU A 422 -2.989 -3.756 -6.985 1.00 41.12 H new ATOM 445 N GLN A 423 -0.769 -3.525 -11.549 1.00 23.12 N ATOM 446 CA GLN A 423 -0.669 -3.417 -13.038 1.00 72.00 C ATOM 447 C GLN A 423 0.767 -3.618 -13.582 1.00 51.15 C ATOM 448 O GLN A 423 0.920 -4.037 -14.737 1.00 33.41 O ATOM 449 CB GLN A 423 -1.246 -2.074 -13.513 1.00 22.13 C ATOM 450 CG GLN A 423 -2.794 -2.048 -13.519 1.00 22.21 C ATOM 451 CD GLN A 423 -3.393 -0.669 -13.776 1.00 64.12 C ATOM 452 OE1 GLN A 423 -4.506 -0.385 -13.335 1.00 24.43 O ATOM 453 NE2 GLN A 423 -2.676 0.203 -14.474 1.00 4.40 N ATOM 0 H GLN A 423 -1.030 -2.644 -11.106 1.00 23.12 H new ATOM 0 HA GLN A 423 -1.261 -4.236 -13.446 1.00 72.00 H new ATOM 0 HB2 GLN A 423 -0.877 -1.278 -12.866 1.00 22.13 H new ATOM 0 HB3 GLN A 423 -0.881 -1.863 -14.518 1.00 22.13 H new ATOM 0 HG2 GLN A 423 -3.155 -2.737 -14.282 1.00 22.21 H new ATOM 0 HG3 GLN A 423 -3.157 -2.417 -12.559 1.00 22.21 H new ATOM 0 HE21 GLN A 423 -1.756 -0.060 -14.827 1.00 4.40 H new ATOM 0 HE22 GLN A 423 -3.045 1.136 -14.657 1.00 4.40 H new ATOM 462 N MET A 424 1.817 -3.335 -12.777 1.00 62.13 N ATOM 463 CA MET A 424 3.195 -3.611 -13.229 1.00 74.02 C ATOM 464 C MET A 424 3.647 -5.076 -13.005 1.00 5.33 C ATOM 465 O MET A 424 4.118 -5.706 -13.946 1.00 3.24 O ATOM 466 CB MET A 424 4.236 -2.636 -12.617 1.00 21.01 C ATOM 467 CG MET A 424 4.585 -1.407 -13.483 1.00 61.44 C ATOM 468 SD MET A 424 5.210 -1.847 -15.117 1.00 64.31 S ATOM 469 CE MET A 424 3.838 -1.343 -16.153 1.00 71.34 C ATOM 0 H MET A 424 1.741 -2.930 -11.844 1.00 62.13 H new ATOM 0 HA MET A 424 3.158 -3.445 -14.306 1.00 74.02 H new ATOM 0 HB2 MET A 424 3.859 -2.286 -11.656 1.00 21.01 H new ATOM 0 HB3 MET A 424 5.153 -3.190 -12.417 1.00 21.01 H new ATOM 0 HG2 MET A 424 3.697 -0.785 -13.596 1.00 61.44 H new ATOM 0 HG3 MET A 424 5.332 -0.805 -12.965 1.00 61.44 H new ATOM 0 HE1 MET A 424 3.861 -1.906 -17.086 1.00 71.34 H new ATOM 0 HE2 MET A 424 2.899 -1.539 -15.634 1.00 71.34 H new ATOM 0 HE3 MET A 424 3.918 -0.278 -16.369 1.00 71.34 H new ATOM 479 N PHE A 425 3.478 -5.628 -11.785 1.00 74.43 N ATOM 480 CA PHE A 425 4.138 -6.884 -11.384 1.00 54.34 C ATOM 481 C PHE A 425 3.359 -8.160 -11.786 1.00 45.20 C ATOM 482 O PHE A 425 3.747 -9.244 -11.391 1.00 60.03 O ATOM 483 CB PHE A 425 4.464 -6.833 -9.870 1.00 32.24 C ATOM 484 CG PHE A 425 5.516 -5.810 -9.476 1.00 52.52 C ATOM 485 CD1 PHE A 425 5.259 -4.440 -9.560 1.00 12.24 C ATOM 486 CD2 PHE A 425 6.759 -6.205 -8.991 1.00 3.13 C ATOM 487 CE1 PHE A 425 6.188 -3.512 -9.181 1.00 20.13 C ATOM 488 CE2 PHE A 425 7.694 -5.269 -8.605 1.00 14.33 C ATOM 489 CZ PHE A 425 7.409 -3.922 -8.693 1.00 61.31 C ATOM 0 H PHE A 425 2.888 -5.220 -11.060 1.00 74.43 H new ATOM 0 HA PHE A 425 5.070 -6.960 -11.944 1.00 54.34 H new ATOM 0 HB2 PHE A 425 3.546 -6.618 -9.323 1.00 32.24 H new ATOM 0 HB3 PHE A 425 4.801 -7.820 -9.552 1.00 32.24 H new ATOM 0 HD1 PHE A 425 4.303 -4.106 -9.934 1.00 12.24 H new ATOM 0 HD2 PHE A 425 6.994 -7.257 -8.916 1.00 3.13 H new ATOM 0 HE1 PHE A 425 5.965 -2.459 -9.264 1.00 20.13 H new ATOM 0 HE2 PHE A 425 8.655 -5.592 -8.232 1.00 14.33 H new ATOM 0 HZ PHE A 425 8.141 -3.192 -8.380 1.00 61.31 H new ATOM 499 N MET A 426 2.238 -8.020 -12.538 1.00 70.42 N ATOM 500 CA MET A 426 1.313 -9.122 -12.809 1.00 30.15 C ATOM 501 C MET A 426 1.835 -9.966 -13.992 1.00 62.11 C ATOM 502 O MET A 426 1.827 -11.193 -13.900 1.00 44.33 O ATOM 503 CB MET A 426 -0.126 -8.625 -13.048 1.00 50.02 C ATOM 504 CG MET A 426 -1.018 -8.783 -11.823 1.00 10.13 C ATOM 505 SD MET A 426 -1.283 -10.510 -11.406 1.00 24.25 S ATOM 506 CE MET A 426 -2.223 -10.313 -9.910 1.00 2.11 C ATOM 0 H MET A 426 1.961 -7.137 -12.967 1.00 70.42 H new ATOM 0 HA MET A 426 1.270 -9.757 -11.924 1.00 30.15 H new ATOM 0 HB2 MET A 426 -0.099 -7.575 -13.339 1.00 50.02 H new ATOM 0 HB3 MET A 426 -0.561 -9.175 -13.882 1.00 50.02 H new ATOM 0 HG2 MET A 426 -0.564 -8.270 -10.975 1.00 10.13 H new ATOM 0 HG3 MET A 426 -1.979 -8.303 -12.009 1.00 10.13 H new ATOM 0 HE1 MET A 426 -2.161 -11.226 -9.319 1.00 2.11 H new ATOM 0 HE2 MET A 426 -1.820 -9.480 -9.334 1.00 2.11 H new ATOM 0 HE3 MET A 426 -3.265 -10.112 -10.159 1.00 2.11 H new ATOM 516 N PRO A 427 2.298 -9.333 -15.153 1.00 11.22 N ATOM 517 CA PRO A 427 3.085 -10.070 -16.152 1.00 43.30 C ATOM 518 C PRO A 427 4.451 -10.495 -15.610 1.00 25.11 C ATOM 519 O PRO A 427 4.953 -11.560 -15.961 1.00 5.05 O ATOM 520 CB PRO A 427 3.268 -9.105 -17.330 1.00 54.43 C ATOM 521 CG PRO A 427 2.508 -7.854 -17.026 1.00 2.32 C ATOM 522 CD PRO A 427 2.036 -7.930 -15.598 1.00 74.23 C ATOM 0 HA PRO A 427 2.572 -10.988 -16.438 1.00 43.30 H new ATOM 0 HB2 PRO A 427 4.324 -8.882 -17.479 1.00 54.43 H new ATOM 0 HB3 PRO A 427 2.904 -9.557 -18.253 1.00 54.43 H new ATOM 0 HG2 PRO A 427 3.141 -6.979 -17.172 1.00 2.32 H new ATOM 0 HG3 PRO A 427 1.660 -7.750 -17.702 1.00 2.32 H new ATOM 0 HD2 PRO A 427 2.570 -7.216 -14.972 1.00 74.23 H new ATOM 0 HD3 PRO A 427 0.976 -7.688 -15.524 1.00 74.23 H new ATOM 530 N PHE A 428 5.049 -9.643 -14.763 1.00 20.10 N ATOM 531 CA PHE A 428 6.252 -10.010 -14.010 1.00 12.43 C ATOM 532 C PHE A 428 5.963 -11.009 -12.820 1.00 21.54 C ATOM 533 O PHE A 428 6.838 -11.143 -11.967 1.00 64.33 O ATOM 534 CB PHE A 428 7.049 -8.740 -13.498 1.00 54.13 C ATOM 535 CG PHE A 428 7.597 -7.784 -14.565 1.00 43.53 C ATOM 536 CD1 PHE A 428 8.531 -8.214 -15.499 1.00 65.42 C ATOM 537 CD2 PHE A 428 7.221 -6.437 -14.600 1.00 12.10 C ATOM 538 CE1 PHE A 428 9.068 -7.331 -16.428 1.00 33.44 C ATOM 539 CE2 PHE A 428 7.752 -5.560 -15.529 1.00 34.03 C ATOM 540 CZ PHE A 428 8.672 -6.010 -16.446 1.00 54.40 C ATOM 0 H PHE A 428 4.717 -8.695 -14.584 1.00 20.10 H new ATOM 0 HA PHE A 428 6.885 -10.541 -14.721 1.00 12.43 H new ATOM 0 HB2 PHE A 428 6.393 -8.172 -12.839 1.00 54.13 H new ATOM 0 HB3 PHE A 428 7.886 -9.087 -12.892 1.00 54.13 H new ATOM 0 HD1 PHE A 428 8.844 -9.248 -15.503 1.00 65.42 H new ATOM 0 HD2 PHE A 428 6.499 -6.073 -13.884 1.00 12.10 H new ATOM 0 HE1 PHE A 428 9.800 -7.681 -17.140 1.00 33.44 H new ATOM 0 HE2 PHE A 428 7.445 -4.525 -15.534 1.00 34.03 H new ATOM 0 HZ PHE A 428 9.083 -5.331 -17.178 1.00 54.40 H new ATOM 550 N GLY A 429 4.761 -11.714 -12.723 1.00 73.42 N ATOM 551 CA GLY A 429 4.637 -12.824 -11.744 1.00 73.02 C ATOM 552 C GLY A 429 3.424 -12.708 -10.705 1.00 32.22 C ATOM 553 O GLY A 429 2.545 -11.870 -10.907 1.00 22.01 O ATOM 0 H GLY A 429 3.929 -11.531 -13.283 1.00 73.42 H new ATOM 0 HA2 GLY A 429 4.530 -13.758 -12.295 1.00 73.02 H new ATOM 0 HA3 GLY A 429 5.568 -12.891 -11.180 1.00 73.02 H new ATOM 557 N ASN A 430 3.365 -13.560 -9.594 1.00 43.44 N ATOM 558 CA ASN A 430 2.158 -13.626 -8.637 1.00 1.24 C ATOM 559 C ASN A 430 2.178 -12.552 -7.468 1.00 33.32 C ATOM 560 O ASN A 430 3.212 -12.370 -6.814 1.00 14.14 O ATOM 561 CB ASN A 430 2.032 -15.098 -8.057 1.00 71.12 C ATOM 562 CG ASN A 430 0.804 -15.394 -7.149 1.00 30.34 C ATOM 563 OD1 ASN A 430 0.748 -14.958 -6.000 1.00 70.41 O ATOM 564 ND2 ASN A 430 -0.143 -16.232 -7.624 1.00 31.53 N ATOM 0 H ASN A 430 4.120 -14.197 -9.342 1.00 43.44 H new ATOM 0 HA ASN A 430 1.278 -13.370 -9.228 1.00 1.24 H new ATOM 0 HB2 ASN A 430 2.008 -15.793 -8.897 1.00 71.12 H new ATOM 0 HB3 ASN A 430 2.935 -15.317 -7.488 1.00 71.12 H new ATOM 0 HD21 ASN A 430 -0.921 -16.513 -7.027 1.00 31.53 H new ATOM 0 HD22 ASN A 430 -0.080 -16.584 -8.579 1.00 31.53 H new ATOM 571 N VAL A 431 1.006 -11.834 -7.221 1.00 70.40 N ATOM 572 CA VAL A 431 0.822 -10.898 -6.043 1.00 15.42 C ATOM 573 C VAL A 431 -0.069 -11.574 -4.923 1.00 51.33 C ATOM 574 O VAL A 431 -0.946 -12.378 -5.260 1.00 21.41 O ATOM 575 CB VAL A 431 0.171 -9.507 -6.463 1.00 20.25 C ATOM 576 CG1 VAL A 431 0.650 -9.030 -7.828 1.00 25.20 C ATOM 577 CG2 VAL A 431 -1.384 -9.461 -6.432 1.00 3.44 C ATOM 0 H VAL A 431 0.185 -11.892 -7.824 1.00 70.40 H new ATOM 0 HA VAL A 431 1.820 -10.697 -5.652 1.00 15.42 H new ATOM 0 HB VAL A 431 0.522 -8.831 -5.683 1.00 20.25 H new ATOM 0 HG11 VAL A 431 0.177 -8.078 -8.067 1.00 25.20 H new ATOM 0 HG12 VAL A 431 1.732 -8.903 -7.810 1.00 25.20 H new ATOM 0 HG13 VAL A 431 0.384 -9.768 -8.585 1.00 25.20 H new ATOM 0 HG21 VAL A 431 -1.725 -8.471 -6.735 1.00 3.44 H new ATOM 0 HG22 VAL A 431 -1.784 -10.208 -7.118 1.00 3.44 H new ATOM 0 HG23 VAL A 431 -1.734 -9.672 -5.422 1.00 3.44 H new ATOM 587 N ILE A 432 0.157 -11.306 -3.589 1.00 0.51 N ATOM 588 CA ILE A 432 -0.749 -11.918 -2.539 1.00 45.50 C ATOM 589 C ILE A 432 -1.555 -10.833 -1.777 1.00 20.50 C ATOM 590 O ILE A 432 -2.722 -11.068 -1.463 1.00 23.25 O ATOM 591 CB ILE A 432 -0.066 -12.932 -1.517 1.00 15.21 C ATOM 592 CG1 ILE A 432 1.322 -13.441 -2.054 1.00 74.03 C ATOM 593 CG2 ILE A 432 -1.010 -14.129 -1.174 1.00 62.24 C ATOM 594 CD1 ILE A 432 1.497 -14.949 -2.350 1.00 73.20 C ATOM 0 H ILE A 432 0.905 -10.712 -3.230 1.00 0.51 H new ATOM 0 HA ILE A 432 -1.425 -12.540 -3.125 1.00 45.50 H new ATOM 0 HB ILE A 432 0.116 -12.383 -0.593 1.00 15.21 H new ATOM 0 HG12 ILE A 432 1.541 -12.896 -2.973 1.00 74.03 H new ATOM 0 HG13 ILE A 432 2.082 -13.157 -1.326 1.00 74.03 H new ATOM 0 HG21 ILE A 432 -0.509 -14.799 -0.475 1.00 62.24 H new ATOM 0 HG22 ILE A 432 -1.927 -13.751 -0.721 1.00 62.24 H new ATOM 0 HG23 ILE A 432 -1.253 -14.673 -2.086 1.00 62.24 H new ATOM 0 HD11 ILE A 432 2.508 -15.134 -2.712 1.00 73.20 H new ATOM 0 HD12 ILE A 432 1.328 -15.521 -1.438 1.00 73.20 H new ATOM 0 HD13 ILE A 432 0.778 -15.257 -3.109 1.00 73.20 H new ATOM 606 N SER A 433 -0.967 -9.641 -1.473 1.00 74.22 N ATOM 607 CA SER A 433 -1.751 -8.551 -0.775 1.00 24.21 C ATOM 608 C SER A 433 -1.484 -7.126 -1.378 1.00 5.35 C ATOM 609 O SER A 433 -0.369 -6.868 -1.833 1.00 50.44 O ATOM 610 CB SER A 433 -1.489 -8.565 0.756 1.00 4.22 C ATOM 611 OG SER A 433 -2.181 -9.638 1.355 1.00 62.31 O ATOM 0 H SER A 433 0.003 -9.405 -1.684 1.00 74.22 H new ATOM 0 HA SER A 433 -2.805 -8.770 -0.948 1.00 24.21 H new ATOM 0 HB2 SER A 433 -0.420 -8.658 0.949 1.00 4.22 H new ATOM 0 HB3 SER A 433 -1.812 -7.622 1.197 1.00 4.22 H new ATOM 0 HG SER A 433 -2.532 -10.231 0.658 1.00 62.31 H new ATOM 617 N ALA A 434 -2.513 -6.194 -1.380 1.00 4.55 N ATOM 618 CA ALA A 434 -2.399 -4.884 -2.101 1.00 73.23 C ATOM 619 C ALA A 434 -2.853 -3.657 -1.297 1.00 14.12 C ATOM 620 O ALA A 434 -4.055 -3.527 -1.016 1.00 43.11 O ATOM 621 CB ALA A 434 -3.231 -4.991 -3.367 1.00 22.22 C ATOM 0 H ALA A 434 -3.403 -6.331 -0.900 1.00 4.55 H new ATOM 0 HA ALA A 434 -1.340 -4.717 -2.298 1.00 73.23 H new ATOM 0 HB1 ALA A 434 -3.173 -4.054 -3.921 1.00 22.22 H new ATOM 0 HB2 ALA A 434 -2.849 -5.803 -3.986 1.00 22.22 H new ATOM 0 HB3 ALA A 434 -4.269 -5.193 -3.104 1.00 22.22 H new ATOM 627 N LYS A 435 -1.898 -2.748 -0.919 1.00 62.23 N ATOM 628 CA LYS A 435 -2.287 -1.454 -0.270 1.00 14.21 C ATOM 629 C LYS A 435 -1.254 -0.291 -0.402 1.00 62.13 C ATOM 630 O LYS A 435 -0.049 -0.533 -0.488 1.00 4.45 O ATOM 631 CB LYS A 435 -2.614 -1.587 1.240 1.00 53.33 C ATOM 632 CG LYS A 435 -2.286 -2.901 1.953 1.00 31.52 C ATOM 633 CD LYS A 435 -3.553 -3.493 2.573 1.00 23.54 C ATOM 634 CE LYS A 435 -4.238 -2.545 3.581 1.00 21.22 C ATOM 635 NZ LYS A 435 -3.653 -2.631 4.945 1.00 33.10 N ATOM 0 H LYS A 435 -0.894 -2.879 -1.046 1.00 62.23 H new ATOM 0 HA LYS A 435 -3.178 -1.198 -0.843 1.00 14.21 H new ATOM 0 HB2 LYS A 435 -2.089 -0.788 1.763 1.00 53.33 H new ATOM 0 HB3 LYS A 435 -3.681 -1.402 1.364 1.00 53.33 H new ATOM 0 HG2 LYS A 435 -1.853 -3.609 1.246 1.00 31.52 H new ATOM 0 HG3 LYS A 435 -1.540 -2.727 2.728 1.00 31.52 H new ATOM 0 HD2 LYS A 435 -4.258 -3.739 1.779 1.00 23.54 H new ATOM 0 HD3 LYS A 435 -3.301 -4.427 3.076 1.00 23.54 H new ATOM 0 HE2 LYS A 435 -4.157 -1.520 3.220 1.00 21.22 H new ATOM 0 HE3 LYS A 435 -5.301 -2.782 3.631 1.00 21.22 H new ATOM 0 HZ1 LYS A 435 -4.151 -1.974 5.579 1.00 33.10 H new ATOM 0 HZ2 LYS A 435 -3.753 -3.602 5.305 1.00 33.10 H new ATOM 0 HZ3 LYS A 435 -2.645 -2.378 4.907 1.00 33.10 H new ATOM 649 N VAL A 436 -1.739 0.989 -0.395 1.00 1.32 N ATOM 650 CA VAL A 436 -0.908 2.109 0.125 1.00 55.13 C ATOM 651 C VAL A 436 -1.546 2.592 1.428 1.00 62.21 C ATOM 652 O VAL A 436 -2.697 3.047 1.367 1.00 70.24 O ATOM 653 CB VAL A 436 -0.689 3.404 -0.818 1.00 74.33 C ATOM 654 CG1 VAL A 436 0.557 3.305 -1.684 1.00 1.31 C ATOM 655 CG2 VAL A 436 -1.866 3.827 -1.716 1.00 43.23 C ATOM 0 H VAL A 436 -2.664 1.259 -0.730 1.00 1.32 H new ATOM 0 HA VAL A 436 0.088 1.677 0.220 1.00 55.13 H new ATOM 0 HB VAL A 436 -0.583 4.185 -0.065 1.00 74.33 H new ATOM 0 HG11 VAL A 436 0.649 4.204 -2.294 1.00 1.31 H new ATOM 0 HG12 VAL A 436 1.436 3.207 -1.047 1.00 1.31 H new ATOM 0 HG13 VAL A 436 0.481 2.433 -2.333 1.00 1.31 H new ATOM 0 HG21 VAL A 436 -1.585 4.707 -2.294 1.00 43.23 H new ATOM 0 HG22 VAL A 436 -2.117 3.012 -2.395 1.00 43.23 H new ATOM 0 HG23 VAL A 436 -2.731 4.062 -1.096 1.00 43.23 H new ATOM 665 N PHE A 437 -0.865 2.480 2.624 1.00 33.54 N ATOM 666 CA PHE A 437 -1.344 3.225 3.775 1.00 64.51 C ATOM 667 C PHE A 437 -1.187 4.714 3.497 1.00 2.34 C ATOM 668 O PHE A 437 -0.113 5.252 3.526 1.00 73.21 O ATOM 669 CB PHE A 437 -0.633 2.875 5.136 1.00 51.12 C ATOM 670 CG PHE A 437 0.885 2.981 5.192 1.00 31.22 C ATOM 671 CD1 PHE A 437 1.713 2.107 4.489 1.00 45.52 C ATOM 672 CD2 PHE A 437 1.475 3.957 5.985 1.00 40.32 C ATOM 673 CE1 PHE A 437 3.088 2.214 4.576 1.00 3.53 C ATOM 674 CE2 PHE A 437 2.847 4.062 6.069 1.00 32.15 C ATOM 675 CZ PHE A 437 3.652 3.191 5.365 1.00 61.34 C ATOM 0 H PHE A 437 -0.035 1.908 2.780 1.00 33.54 H new ATOM 0 HA PHE A 437 -2.388 2.939 3.906 1.00 64.51 H new ATOM 0 HB2 PHE A 437 -1.043 3.529 5.906 1.00 51.12 H new ATOM 0 HB3 PHE A 437 -0.908 1.855 5.405 1.00 51.12 H new ATOM 0 HD1 PHE A 437 1.275 1.338 3.870 1.00 45.52 H new ATOM 0 HD2 PHE A 437 0.852 4.641 6.542 1.00 40.32 H new ATOM 0 HE1 PHE A 437 3.719 1.532 4.026 1.00 3.53 H new ATOM 0 HE2 PHE A 437 3.292 4.828 6.687 1.00 32.15 H new ATOM 0 HZ PHE A 437 4.727 3.276 5.433 1.00 61.34 H new ATOM 846 N PHE A 448 6.011 5.788 1.487 1.00 52.21 N ATOM 847 CA PHE A 448 6.548 4.484 1.967 1.00 13.33 C ATOM 848 C PHE A 448 5.635 3.297 1.517 1.00 74.22 C ATOM 849 O PHE A 448 4.415 3.446 1.436 1.00 34.43 O ATOM 850 CB PHE A 448 6.745 4.538 3.503 1.00 32.11 C ATOM 851 CG PHE A 448 7.693 3.503 4.090 1.00 10.25 C ATOM 852 CD1 PHE A 448 9.053 3.792 4.194 1.00 61.13 C ATOM 853 CD2 PHE A 448 7.252 2.254 4.537 1.00 70.52 C ATOM 854 CE1 PHE A 448 9.936 2.876 4.725 1.00 61.40 C ATOM 855 CE2 PHE A 448 8.141 1.340 5.070 1.00 32.12 C ATOM 856 CZ PHE A 448 9.485 1.648 5.155 1.00 10.40 C ATOM 0 HA PHE A 448 7.522 4.304 1.512 1.00 13.33 H new ATOM 0 HB2 PHE A 448 7.112 5.530 3.768 1.00 32.11 H new ATOM 0 HB3 PHE A 448 5.771 4.421 3.979 1.00 32.11 H new ATOM 0 HD1 PHE A 448 9.421 4.749 3.853 1.00 61.13 H new ATOM 0 HD2 PHE A 448 6.205 2.000 4.465 1.00 70.52 H new ATOM 0 HE1 PHE A 448 10.985 3.122 4.804 1.00 61.40 H new ATOM 0 HE2 PHE A 448 7.784 0.383 5.421 1.00 32.12 H new ATOM 0 HZ PHE A 448 10.181 0.927 5.558 1.00 10.40 H new ATOM 866 N GLY A 449 6.234 2.140 1.195 1.00 13.24 N ATOM 867 CA GLY A 449 5.450 0.992 0.630 1.00 1.34 C ATOM 868 C GLY A 449 5.577 -0.342 1.388 1.00 40.44 C ATOM 869 O GLY A 449 6.211 -0.357 2.427 1.00 51.52 O ATOM 0 H GLY A 449 7.232 1.960 1.306 1.00 13.24 H new ATOM 0 HA2 GLY A 449 4.397 1.274 0.602 1.00 1.34 H new ATOM 0 HA3 GLY A 449 5.765 0.834 -0.401 1.00 1.34 H new ATOM 873 N PHE A 450 4.848 -1.428 0.934 1.00 43.21 N ATOM 874 CA PHE A 450 5.223 -2.875 1.234 1.00 62.43 C ATOM 875 C PHE A 450 4.637 -3.820 0.099 1.00 21.41 C ATOM 876 O PHE A 450 3.652 -3.396 -0.512 1.00 60.12 O ATOM 877 CB PHE A 450 4.709 -3.285 2.672 1.00 51.54 C ATOM 878 CG PHE A 450 3.452 -4.122 2.686 1.00 21.43 C ATOM 879 CD1 PHE A 450 2.218 -3.517 2.616 1.00 41.35 C ATOM 880 CD2 PHE A 450 3.508 -5.504 2.713 1.00 74.40 C ATOM 881 CE1 PHE A 450 1.066 -4.260 2.566 1.00 60.34 C ATOM 882 CE2 PHE A 450 2.362 -6.249 2.654 1.00 34.43 C ATOM 883 CZ PHE A 450 1.141 -5.631 2.578 1.00 24.04 C ATOM 0 H PHE A 450 4.006 -1.334 0.365 1.00 43.21 H new ATOM 0 HA PHE A 450 6.307 -2.985 1.236 1.00 62.43 H new ATOM 0 HB2 PHE A 450 5.500 -3.836 3.181 1.00 51.54 H new ATOM 0 HB3 PHE A 450 4.530 -2.378 3.250 1.00 51.54 H new ATOM 0 HD1 PHE A 450 2.155 -2.439 2.600 1.00 41.35 H new ATOM 0 HD2 PHE A 450 4.465 -5.999 2.781 1.00 74.40 H new ATOM 0 HE1 PHE A 450 0.105 -3.769 2.517 1.00 60.34 H new ATOM 0 HE2 PHE A 450 2.420 -7.327 2.667 1.00 34.43 H new ATOM 0 HZ PHE A 450 0.238 -6.222 2.528 1.00 24.04 H new ATOM 893 N VAL A 451 5.193 -5.077 -0.219 1.00 74.23 N ATOM 894 CA VAL A 451 4.385 -6.064 -1.073 1.00 23.31 C ATOM 895 C VAL A 451 4.908 -7.554 -0.963 1.00 54.44 C ATOM 896 O VAL A 451 6.048 -7.780 -0.537 1.00 62.20 O ATOM 897 CB VAL A 451 4.148 -5.577 -2.595 1.00 52.22 C ATOM 898 CG1 VAL A 451 5.404 -5.317 -3.383 1.00 1.33 C ATOM 899 CG2 VAL A 451 3.352 -6.539 -3.454 1.00 25.34 C ATOM 0 H VAL A 451 6.114 -5.403 0.076 1.00 74.23 H new ATOM 0 HA VAL A 451 3.389 -6.068 -0.629 1.00 23.31 H new ATOM 0 HB VAL A 451 3.597 -4.654 -2.416 1.00 52.22 H new ATOM 0 HG11 VAL A 451 5.141 -4.995 -4.391 1.00 1.33 H new ATOM 0 HG12 VAL A 451 5.986 -4.536 -2.893 1.00 1.33 H new ATOM 0 HG13 VAL A 451 5.996 -6.231 -3.437 1.00 1.33 H new ATOM 0 HG21 VAL A 451 3.244 -6.127 -4.457 1.00 25.34 H new ATOM 0 HG22 VAL A 451 3.873 -7.495 -3.508 1.00 25.34 H new ATOM 0 HG23 VAL A 451 2.365 -6.688 -3.015 1.00 25.34 H new ATOM 909 N SER A 452 4.052 -8.569 -1.341 1.00 32.04 N ATOM 910 CA SER A 452 4.308 -10.010 -1.133 1.00 1.01 C ATOM 911 C SER A 452 4.722 -10.710 -2.469 1.00 71.33 C ATOM 912 O SER A 452 3.916 -10.666 -3.409 1.00 13.31 O ATOM 913 CB SER A 452 2.963 -10.621 -0.604 1.00 41.41 C ATOM 914 OG SER A 452 3.189 -11.867 0.026 1.00 30.21 O ATOM 0 H SER A 452 3.161 -8.387 -1.802 1.00 32.04 H new ATOM 0 HA SER A 452 5.127 -10.157 -0.429 1.00 1.01 H new ATOM 0 HB2 SER A 452 2.498 -9.932 0.101 1.00 41.41 H new ATOM 0 HB3 SER A 452 2.266 -10.749 -1.432 1.00 41.41 H new ATOM 0 HG SER A 452 3.854 -12.376 -0.484 1.00 30.21 H new ATOM 920 N TYR A 453 5.949 -11.352 -2.615 1.00 20.43 N ATOM 921 CA TYR A 453 6.147 -12.151 -3.871 1.00 32.25 C ATOM 922 C TYR A 453 6.447 -13.697 -3.629 1.00 43.02 C ATOM 923 O TYR A 453 7.334 -13.996 -2.821 1.00 44.24 O ATOM 924 CB TYR A 453 7.265 -11.433 -4.760 1.00 44.14 C ATOM 925 CG TYR A 453 7.364 -11.945 -6.215 1.00 51.41 C ATOM 926 CD1 TYR A 453 7.879 -13.201 -6.587 1.00 51.43 C ATOM 927 CD2 TYR A 453 6.913 -11.133 -7.243 1.00 61.13 C ATOM 928 CE1 TYR A 453 7.913 -13.590 -7.898 1.00 71.41 C ATOM 929 CE2 TYR A 453 6.945 -11.520 -8.543 1.00 21.31 C ATOM 930 CZ TYR A 453 7.461 -12.756 -8.875 1.00 45.45 C ATOM 931 OH TYR A 453 7.517 -13.180 -10.176 1.00 61.21 O ATOM 0 H TYR A 453 6.726 -11.334 -1.955 1.00 20.43 H new ATOM 0 HA TYR A 453 5.201 -12.165 -4.412 1.00 32.25 H new ATOM 0 HB2 TYR A 453 7.061 -10.362 -4.780 1.00 44.14 H new ATOM 0 HB3 TYR A 453 8.233 -11.564 -4.277 1.00 44.14 H new ATOM 0 HD1 TYR A 453 8.253 -13.868 -5.825 1.00 51.43 H new ATOM 0 HD2 TYR A 453 6.522 -10.156 -7.001 1.00 61.13 H new ATOM 0 HE1 TYR A 453 8.300 -14.564 -8.160 1.00 71.41 H new ATOM 0 HE2 TYR A 453 6.569 -10.864 -9.314 1.00 21.31 H new ATOM 0 HH TYR A 453 7.503 -12.404 -10.774 1.00 61.21 H new ATOM 941 N ASP A 454 5.653 -14.659 -4.332 1.00 15.54 N ATOM 942 CA ASP A 454 5.999 -16.117 -4.610 1.00 30.03 C ATOM 943 C ASP A 454 7.155 -16.784 -3.806 1.00 24.02 C ATOM 944 O ASP A 454 6.940 -17.294 -2.702 1.00 33.04 O ATOM 945 CB ASP A 454 6.257 -16.341 -6.124 1.00 55.11 C ATOM 946 CG ASP A 454 5.476 -17.508 -6.689 1.00 12.42 C ATOM 947 OD1 ASP A 454 5.867 -18.662 -6.427 1.00 3.12 O ATOM 948 OD2 ASP A 454 4.481 -17.271 -7.401 1.00 45.11 O ATOM 0 H ASP A 454 4.742 -14.408 -4.717 1.00 15.54 H new ATOM 0 HA ASP A 454 5.104 -16.622 -4.246 1.00 30.03 H new ATOM 0 HB2 ASP A 454 5.993 -15.435 -6.670 1.00 55.11 H new ATOM 0 HB3 ASP A 454 7.322 -16.511 -6.285 1.00 55.11 H new ATOM 953 N ASN A 455 8.366 -16.761 -4.380 1.00 42.35 N ATOM 954 CA ASN A 455 9.468 -17.640 -4.024 1.00 42.13 C ATOM 955 C ASN A 455 10.728 -16.773 -3.924 1.00 60.44 C ATOM 956 O ASN A 455 10.973 -16.000 -4.845 1.00 30.43 O ATOM 957 CB ASN A 455 9.604 -18.688 -5.166 1.00 71.23 C ATOM 958 CG ASN A 455 10.258 -20.021 -4.799 1.00 41.23 C ATOM 959 OD1 ASN A 455 11.174 -20.090 -3.983 1.00 41.03 O ATOM 960 ND2 ASN A 455 9.761 -21.101 -5.424 1.00 70.25 N ATOM 0 H ASN A 455 8.604 -16.108 -5.126 1.00 42.35 H new ATOM 0 HA ASN A 455 9.311 -18.155 -3.076 1.00 42.13 H new ATOM 0 HB2 ASN A 455 8.609 -18.894 -5.559 1.00 71.23 H new ATOM 0 HB3 ASN A 455 10.179 -18.238 -5.975 1.00 71.23 H new ATOM 0 HD21 ASN A 455 10.145 -22.025 -5.228 1.00 70.25 H new ATOM 0 HD22 ASN A 455 9.000 -20.997 -6.095 1.00 70.25 H new ATOM 967 N PRO A 456 11.522 -16.844 -2.816 1.00 11.34 N ATOM 968 CA PRO A 456 12.660 -15.904 -2.579 1.00 60.32 C ATOM 969 C PRO A 456 13.823 -15.839 -3.636 1.00 5.41 C ATOM 970 O PRO A 456 14.582 -14.870 -3.588 1.00 24.02 O ATOM 971 CB PRO A 456 13.182 -16.326 -1.192 1.00 74.14 C ATOM 972 CG PRO A 456 12.666 -17.706 -0.963 1.00 41.43 C ATOM 973 CD PRO A 456 11.335 -17.762 -1.651 1.00 43.25 C ATOM 0 HA PRO A 456 12.285 -14.884 -2.661 1.00 60.32 H new ATOM 0 HB2 PRO A 456 14.271 -16.307 -1.162 1.00 74.14 H new ATOM 0 HB3 PRO A 456 12.830 -15.644 -0.418 1.00 74.14 H new ATOM 0 HG2 PRO A 456 13.349 -18.452 -1.370 1.00 41.43 H new ATOM 0 HG3 PRO A 456 12.565 -17.914 0.102 1.00 41.43 H new ATOM 0 HD2 PRO A 456 11.088 -18.774 -1.970 1.00 43.25 H new ATOM 0 HD3 PRO A 456 10.529 -17.427 -0.998 1.00 43.25 H new ATOM 981 N VAL A 457 13.989 -16.807 -4.585 1.00 25.13 N ATOM 982 CA VAL A 457 14.972 -16.623 -5.668 1.00 71.30 C ATOM 983 C VAL A 457 14.324 -15.887 -6.859 1.00 63.54 C ATOM 984 O VAL A 457 15.034 -15.295 -7.668 1.00 54.23 O ATOM 985 CB VAL A 457 15.783 -17.911 -6.138 1.00 33.34 C ATOM 986 CG1 VAL A 457 16.881 -18.300 -5.142 1.00 21.13 C ATOM 987 CG2 VAL A 457 14.911 -19.136 -6.404 1.00 53.12 C ATOM 0 H VAL A 457 13.472 -17.686 -4.615 1.00 25.13 H new ATOM 0 HA VAL A 457 15.752 -16.007 -5.220 1.00 71.30 H new ATOM 0 HB VAL A 457 16.230 -17.607 -7.085 1.00 33.34 H new ATOM 0 HG11 VAL A 457 17.406 -19.183 -5.506 1.00 21.13 H new ATOM 0 HG12 VAL A 457 17.587 -17.476 -5.038 1.00 21.13 H new ATOM 0 HG13 VAL A 457 16.432 -18.518 -4.173 1.00 21.13 H new ATOM 0 HG21 VAL A 457 15.540 -19.969 -6.719 1.00 53.12 H new ATOM 0 HG22 VAL A 457 14.378 -19.408 -5.493 1.00 53.12 H new ATOM 0 HG23 VAL A 457 14.191 -18.907 -7.190 1.00 53.12 H new ATOM 997 N SER A 458 12.965 -15.910 -6.959 1.00 51.12 N ATOM 998 CA SER A 458 12.257 -15.083 -7.957 1.00 21.24 C ATOM 999 C SER A 458 12.292 -13.531 -7.622 1.00 42.10 C ATOM 1000 O SER A 458 11.869 -12.745 -8.481 1.00 12.21 O ATOM 1001 CB SER A 458 10.791 -15.578 -8.262 1.00 5.33 C ATOM 1002 OG SER A 458 10.330 -15.019 -9.483 1.00 43.43 O ATOM 0 H SER A 458 12.357 -16.481 -6.372 1.00 51.12 H new ATOM 0 HA SER A 458 12.825 -15.220 -8.877 1.00 21.24 H new ATOM 0 HB2 SER A 458 10.772 -16.666 -8.321 1.00 5.33 H new ATOM 0 HB3 SER A 458 10.125 -15.291 -7.448 1.00 5.33 H new ATOM 0 HG SER A 458 9.670 -14.319 -9.294 1.00 43.43 H new ATOM 1008 N ALA A 459 12.758 -13.080 -6.382 1.00 34.44 N ATOM 1009 CA ALA A 459 12.681 -11.668 -5.935 1.00 32.04 C ATOM 1010 C ALA A 459 13.288 -10.647 -6.922 1.00 51.15 C ATOM 1011 O ALA A 459 12.569 -9.794 -7.458 1.00 64.41 O ATOM 1012 CB ALA A 459 13.432 -11.489 -4.620 1.00 72.03 C ATOM 0 H ALA A 459 13.187 -13.699 -5.694 1.00 34.44 H new ATOM 0 HA ALA A 459 11.613 -11.470 -5.846 1.00 32.04 H new ATOM 0 HB1 ALA A 459 13.368 -10.448 -4.303 1.00 72.03 H new ATOM 0 HB2 ALA A 459 12.988 -12.129 -3.857 1.00 72.03 H new ATOM 0 HB3 ALA A 459 14.478 -11.762 -4.758 1.00 72.03 H new ATOM 1018 N GLN A 460 14.596 -10.785 -7.186 1.00 51.01 N ATOM 1019 CA GLN A 460 15.420 -9.713 -7.778 1.00 11.54 C ATOM 1020 C GLN A 460 15.117 -9.388 -9.276 1.00 33.21 C ATOM 1021 O GLN A 460 15.489 -8.299 -9.723 1.00 24.21 O ATOM 1022 CB GLN A 460 16.949 -9.967 -7.543 1.00 74.52 C ATOM 1023 CG GLN A 460 17.432 -9.874 -6.068 1.00 24.13 C ATOM 1024 CD GLN A 460 17.427 -11.191 -5.296 1.00 25.32 C ATOM 1025 OE1 GLN A 460 16.633 -12.110 -5.558 1.00 1.13 O ATOM 1026 NE2 GLN A 460 18.326 -11.286 -4.310 1.00 41.33 N ATOM 0 H GLN A 460 15.115 -11.642 -6.996 1.00 51.01 H new ATOM 0 HA GLN A 460 15.125 -8.813 -7.239 1.00 11.54 H new ATOM 0 HB2 GLN A 460 17.196 -10.958 -7.925 1.00 74.52 H new ATOM 0 HB3 GLN A 460 17.513 -9.247 -8.136 1.00 74.52 H new ATOM 0 HG2 GLN A 460 18.445 -9.471 -6.059 1.00 24.13 H new ATOM 0 HG3 GLN A 460 16.800 -9.160 -5.540 1.00 24.13 H new ATOM 0 HE21 GLN A 460 18.962 -10.511 -4.124 1.00 41.33 H new ATOM 0 HE22 GLN A 460 18.375 -12.134 -3.745 1.00 41.33 H new ATOM 1035 N ALA A 461 14.454 -10.302 -10.038 1.00 73.54 N ATOM 1036 CA ALA A 461 14.051 -10.045 -11.448 1.00 32.51 C ATOM 1037 C ALA A 461 13.105 -8.759 -11.651 1.00 65.22 C ATOM 1038 O ALA A 461 13.184 -8.139 -12.719 1.00 2.43 O ATOM 1039 CB ALA A 461 13.543 -11.390 -12.115 1.00 61.43 C ATOM 0 H ALA A 461 14.187 -11.226 -9.697 1.00 73.54 H new ATOM 0 HA ALA A 461 14.937 -9.736 -12.004 1.00 32.51 H new ATOM 0 HB1 ALA A 461 13.249 -11.196 -13.147 1.00 61.43 H new ATOM 0 HB2 ALA A 461 14.344 -12.129 -12.098 1.00 61.43 H new ATOM 0 HB3 ALA A 461 12.686 -11.771 -11.559 1.00 61.43 H new ATOM 1045 N ALA A 462 12.264 -8.317 -10.620 1.00 74.00 N ATOM 1046 CA ALA A 462 11.506 -6.988 -10.650 1.00 51.13 C ATOM 1047 C ALA A 462 12.309 -5.794 -10.088 1.00 64.22 C ATOM 1048 O ALA A 462 12.419 -4.765 -10.745 1.00 32.11 O ATOM 1049 CB ALA A 462 10.223 -7.104 -9.853 1.00 30.51 C ATOM 0 H ALA A 462 12.099 -8.858 -9.771 1.00 74.00 H new ATOM 0 HA ALA A 462 11.311 -6.789 -11.704 1.00 51.13 H new ATOM 0 HB1 ALA A 462 9.691 -6.153 -9.880 1.00 30.51 H new ATOM 0 HB2 ALA A 462 9.596 -7.884 -10.285 1.00 30.51 H new ATOM 0 HB3 ALA A 462 10.458 -7.359 -8.820 1.00 30.51 H new ATOM 1055 N ILE A 463 12.790 -5.965 -8.844 1.00 11.25 N ATOM 1056 CA ILE A 463 13.535 -4.972 -8.019 1.00 43.51 C ATOM 1057 C ILE A 463 14.629 -4.109 -8.799 1.00 24.33 C ATOM 1058 O ILE A 463 14.840 -2.955 -8.423 1.00 20.11 O ATOM 1059 CB ILE A 463 14.113 -5.709 -6.706 1.00 22.41 C ATOM 1060 CG1 ILE A 463 13.117 -6.836 -6.274 1.00 74.34 C ATOM 1061 CG2 ILE A 463 14.360 -4.744 -5.504 1.00 71.20 C ATOM 1062 CD1 ILE A 463 13.407 -7.526 -4.949 1.00 13.13 C ATOM 0 H ILE A 463 12.667 -6.849 -8.350 1.00 11.25 H new ATOM 0 HA ILE A 463 12.820 -4.206 -7.719 1.00 43.51 H new ATOM 0 HB ILE A 463 15.085 -6.121 -6.976 1.00 22.41 H new ATOM 0 HG12 ILE A 463 12.117 -6.406 -6.223 1.00 74.34 H new ATOM 0 HG13 ILE A 463 13.099 -7.594 -7.057 1.00 74.34 H new ATOM 0 HG21 ILE A 463 14.748 -5.310 -4.657 1.00 71.20 H new ATOM 0 HG22 ILE A 463 15.083 -3.981 -5.793 1.00 71.20 H new ATOM 0 HG23 ILE A 463 13.422 -4.267 -5.222 1.00 71.20 H new ATOM 0 HD11 ILE A 463 12.648 -8.286 -4.761 1.00 13.13 H new ATOM 0 HD12 ILE A 463 14.389 -7.997 -4.991 1.00 13.13 H new ATOM 0 HD13 ILE A 463 13.391 -6.790 -4.145 1.00 13.13 H new ATOM 1074 N GLN A 464 15.319 -4.629 -9.878 1.00 72.12 N ATOM 1075 CA GLN A 464 16.211 -3.799 -10.749 1.00 45.12 C ATOM 1076 C GLN A 464 15.563 -3.197 -12.081 1.00 10.03 C ATOM 1077 O GLN A 464 15.980 -2.101 -12.450 1.00 32.03 O ATOM 1078 CB GLN A 464 17.623 -4.481 -10.947 1.00 61.52 C ATOM 1079 CG GLN A 464 18.411 -4.669 -9.620 1.00 33.43 C ATOM 1080 CD GLN A 464 18.671 -3.366 -8.874 1.00 41.23 C ATOM 1081 OE1 GLN A 464 18.827 -2.305 -9.472 1.00 32.34 O ATOM 1082 NE2 GLN A 464 18.716 -3.445 -7.547 1.00 11.13 N ATOM 0 H GLN A 464 15.269 -5.609 -10.155 1.00 72.12 H new ATOM 0 HA GLN A 464 16.373 -2.882 -10.182 1.00 45.12 H new ATOM 0 HB2 GLN A 464 17.485 -5.453 -11.420 1.00 61.52 H new ATOM 0 HB3 GLN A 464 18.218 -3.876 -11.631 1.00 61.52 H new ATOM 0 HG2 GLN A 464 17.855 -5.345 -8.970 1.00 33.43 H new ATOM 0 HG3 GLN A 464 19.365 -5.149 -9.839 1.00 33.43 H new ATOM 0 HE21 GLN A 464 18.582 -4.344 -7.085 1.00 11.13 H new ATOM 0 HE22 GLN A 464 18.885 -2.606 -6.992 1.00 11.13 H new ATOM 1091 N ALA A 465 14.560 -3.845 -12.812 1.00 41.11 N ATOM 1092 CA ALA A 465 13.874 -3.165 -14.000 1.00 51.21 C ATOM 1093 C ALA A 465 12.977 -1.907 -13.652 1.00 15.15 C ATOM 1094 O ALA A 465 12.495 -1.241 -14.572 1.00 20.41 O ATOM 1095 CB ALA A 465 13.127 -4.167 -14.971 1.00 73.53 C ATOM 0 H ALA A 465 14.225 -4.787 -12.612 1.00 41.11 H new ATOM 0 HA ALA A 465 14.723 -2.758 -14.549 1.00 51.21 H new ATOM 0 HB1 ALA A 465 12.667 -3.609 -15.786 1.00 73.53 H new ATOM 0 HB2 ALA A 465 13.843 -4.881 -15.378 1.00 73.53 H new ATOM 0 HB3 ALA A 465 12.356 -4.703 -14.418 1.00 73.53 H new ATOM 1101 N MET A 466 12.763 -1.571 -12.348 1.00 2.01 N ATOM 1102 CA MET A 466 12.000 -0.340 -11.919 1.00 22.31 C ATOM 1103 C MET A 466 12.884 0.663 -11.133 1.00 43.00 C ATOM 1104 O MET A 466 12.383 1.690 -10.675 1.00 42.41 O ATOM 1105 CB MET A 466 10.800 -0.663 -10.991 1.00 61.22 C ATOM 1106 CG MET A 466 9.425 -0.820 -11.655 1.00 55.22 C ATOM 1107 SD MET A 466 9.232 -2.371 -12.550 1.00 72.12 S ATOM 1108 CE MET A 466 9.162 -1.765 -14.229 1.00 51.10 C ATOM 0 H MET A 466 13.105 -2.131 -11.567 1.00 2.01 H new ATOM 0 HA MET A 466 11.655 0.091 -12.859 1.00 22.31 H new ATOM 0 HB2 MET A 466 11.025 -1.586 -10.456 1.00 61.22 H new ATOM 0 HB3 MET A 466 10.727 0.128 -10.245 1.00 61.22 H new ATOM 0 HG2 MET A 466 8.651 -0.752 -10.890 1.00 55.22 H new ATOM 0 HG3 MET A 466 9.266 0.010 -12.344 1.00 55.22 H new ATOM 0 HE1 MET A 466 9.311 -2.594 -14.921 1.00 51.10 H new ATOM 0 HE2 MET A 466 8.188 -1.310 -14.411 1.00 51.10 H new ATOM 0 HE3 MET A 466 9.944 -1.021 -14.380 1.00 51.10 H new ATOM 1118 N ASN A 467 14.180 0.379 -10.988 1.00 23.02 N ATOM 1119 CA ASN A 467 15.077 1.117 -10.075 1.00 30.12 C ATOM 1120 C ASN A 467 15.561 2.468 -10.678 1.00 64.22 C ATOM 1121 O ASN A 467 16.340 2.425 -11.637 1.00 45.12 O ATOM 1122 CB ASN A 467 16.292 0.198 -9.739 1.00 72.21 C ATOM 1123 CG ASN A 467 16.951 0.605 -8.418 1.00 70.12 C ATOM 1124 OD1 ASN A 467 16.285 1.069 -7.493 1.00 34.43 O ATOM 1125 ND2 ASN A 467 18.266 0.431 -8.314 1.00 55.34 N ATOM 0 H ASN A 467 14.646 -0.371 -11.499 1.00 23.02 H new ATOM 0 HA ASN A 467 14.524 1.370 -9.170 1.00 30.12 H new ATOM 0 HB2 ASN A 467 15.960 -0.839 -9.678 1.00 72.21 H new ATOM 0 HB3 ASN A 467 17.024 0.251 -10.545 1.00 72.21 H new ATOM 0 HD21 ASN A 467 18.747 0.684 -7.451 1.00 55.34 H new ATOM 0 HD22 ASN A 467 18.793 0.044 -9.097 1.00 55.34 H new ATOM 1132 N GLY A 468 15.124 3.687 -10.157 1.00 1.40 N ATOM 1133 CA GLY A 468 15.609 4.926 -10.776 1.00 2.13 C ATOM 1134 C GLY A 468 14.884 5.306 -12.066 1.00 33.23 C ATOM 1135 O GLY A 468 15.374 6.137 -12.840 1.00 51.11 O ATOM 0 H GLY A 468 14.486 3.802 -9.370 1.00 1.40 H new ATOM 0 HA2 GLY A 468 15.505 5.741 -10.060 1.00 2.13 H new ATOM 0 HA3 GLY A 468 16.673 4.821 -10.988 1.00 2.13 H new ATOM 1139 N PHE A 469 13.709 4.726 -12.275 1.00 74.14 N ATOM 1140 CA PHE A 469 13.073 4.666 -13.596 1.00 22.11 C ATOM 1141 C PHE A 469 12.028 5.805 -13.660 1.00 34.21 C ATOM 1142 O PHE A 469 11.009 5.739 -12.962 1.00 51.41 O ATOM 1143 CB PHE A 469 12.475 3.208 -13.777 1.00 34.10 C ATOM 1144 CG PHE A 469 11.699 2.906 -15.045 1.00 53.42 C ATOM 1145 CD1 PHE A 469 12.259 3.024 -16.321 1.00 23.33 C ATOM 1146 CD2 PHE A 469 10.398 2.441 -14.944 1.00 11.41 C ATOM 1147 CE1 PHE A 469 11.519 2.698 -17.446 1.00 2.32 C ATOM 1148 CE2 PHE A 469 9.668 2.111 -16.055 1.00 53.45 C ATOM 1149 CZ PHE A 469 10.221 2.240 -17.312 1.00 5.01 C ATOM 0 H PHE A 469 13.165 4.282 -11.536 1.00 74.14 H new ATOM 0 HA PHE A 469 13.762 4.824 -14.425 1.00 22.11 H new ATOM 0 HB2 PHE A 469 13.301 2.499 -13.715 1.00 34.10 H new ATOM 0 HB3 PHE A 469 11.819 3.009 -12.929 1.00 34.10 H new ATOM 0 HD1 PHE A 469 13.276 3.372 -16.430 1.00 23.33 H new ATOM 0 HD2 PHE A 469 9.949 2.336 -13.967 1.00 11.41 H new ATOM 0 HE1 PHE A 469 11.956 2.802 -18.428 1.00 2.32 H new ATOM 0 HE2 PHE A 469 8.656 1.749 -15.946 1.00 53.45 H new ATOM 0 HZ PHE A 469 9.643 1.984 -18.188 1.00 5.01 H new ATOM 1159 N GLN A 470 12.300 6.878 -14.464 1.00 52.10 N ATOM 1160 CA GLN A 470 11.444 8.075 -14.451 1.00 54.43 C ATOM 1161 C GLN A 470 10.128 7.885 -15.210 1.00 31.15 C ATOM 1162 O GLN A 470 10.126 7.452 -16.363 1.00 50.24 O ATOM 1163 CB GLN A 470 12.217 9.276 -15.016 1.00 33.51 C ATOM 1164 CG GLN A 470 12.920 10.122 -13.947 1.00 72.02 C ATOM 1165 CD GLN A 470 12.044 11.222 -13.340 1.00 22.44 C ATOM 1166 OE1 GLN A 470 10.720 11.090 -13.418 1.00 45.30 O flip ATOM 1167 NE2 GLN A 470 12.558 12.221 -12.849 1.00 14.24 N flip ATOM 0 H GLN A 470 13.089 6.926 -15.109 1.00 52.10 H new ATOM 0 HA GLN A 470 11.175 8.260 -13.411 1.00 54.43 H new ATOM 0 HB2 GLN A 470 12.961 8.915 -15.727 1.00 33.51 H new ATOM 0 HB3 GLN A 470 11.527 9.911 -15.572 1.00 33.51 H new ATOM 0 HG2 GLN A 470 13.264 9.465 -13.148 1.00 72.02 H new ATOM 0 HG3 GLN A 470 13.806 10.580 -14.387 1.00 72.02 H new ATOM 0 HE21 GLN A 470 13.574 12.300 -12.800 1.00 14.24 H new ATOM 0 HE22 GLN A 470 11.970 12.973 -12.490 1.00 14.24 H new ATOM 1176 N ILE A 471 9.015 8.237 -14.545 1.00 14.00 N ATOM 1177 CA ILE A 471 7.677 8.112 -15.112 1.00 24.02 C ATOM 1178 C ILE A 471 6.913 9.435 -14.746 1.00 31.31 C ATOM 1179 O ILE A 471 6.432 9.552 -13.611 1.00 72.13 O ATOM 1180 CB ILE A 471 6.926 6.786 -14.569 1.00 61.41 C ATOM 1181 CG1 ILE A 471 7.535 5.480 -15.218 1.00 1.33 C ATOM 1182 CG2 ILE A 471 5.392 6.829 -14.753 1.00 65.11 C ATOM 1183 CD1 ILE A 471 6.720 4.193 -15.053 1.00 50.41 C ATOM 0 H ILE A 471 9.026 8.616 -13.598 1.00 14.00 H new ATOM 0 HA ILE A 471 7.715 7.990 -16.194 1.00 24.02 H new ATOM 0 HB ILE A 471 7.104 6.760 -13.494 1.00 61.41 H new ATOM 0 HG12 ILE A 471 7.675 5.661 -16.284 1.00 1.33 H new ATOM 0 HG13 ILE A 471 8.524 5.315 -14.790 1.00 1.33 H new ATOM 0 HG21 ILE A 471 4.953 5.909 -14.367 1.00 65.11 H new ATOM 0 HG22 ILE A 471 4.984 7.681 -14.209 1.00 65.11 H new ATOM 0 HG23 ILE A 471 5.155 6.928 -15.812 1.00 65.11 H new ATOM 0 HD11 ILE A 471 7.240 3.368 -15.540 1.00 50.41 H new ATOM 0 HD12 ILE A 471 6.601 3.971 -13.992 1.00 50.41 H new ATOM 0 HD13 ILE A 471 5.739 4.323 -15.509 1.00 50.41 H new ATOM 1195 N GLY A 472 6.887 10.495 -15.630 1.00 34.52 N ATOM 1196 CA GLY A 472 6.160 11.713 -15.264 1.00 44.52 C ATOM 1197 C GLY A 472 6.989 12.592 -14.353 1.00 4.03 C ATOM 1198 O GLY A 472 8.183 12.794 -14.586 1.00 24.24 O ATOM 0 H GLY A 472 7.341 10.511 -16.543 1.00 34.52 H new ATOM 0 HA2 GLY A 472 5.895 12.266 -16.165 1.00 44.52 H new ATOM 0 HA3 GLY A 472 5.227 11.447 -14.767 1.00 44.52 H new ATOM 1202 N MET A 473 6.358 13.083 -13.300 1.00 20.22 N ATOM 1203 CA MET A 473 7.042 13.941 -12.329 1.00 60.54 C ATOM 1204 C MET A 473 7.598 13.175 -11.098 1.00 54.23 C ATOM 1205 O MET A 473 8.067 13.817 -10.162 1.00 70.35 O ATOM 1206 CB MET A 473 6.144 15.141 -11.880 1.00 61.14 C ATOM 1207 CG MET A 473 4.703 14.780 -11.506 1.00 43.50 C ATOM 1208 SD MET A 473 4.010 15.844 -10.217 1.00 51.21 S ATOM 1209 CE MET A 473 3.953 17.440 -11.032 1.00 25.03 C ATOM 0 H MET A 473 5.376 12.907 -13.090 1.00 20.22 H new ATOM 0 HA MET A 473 7.909 14.337 -12.858 1.00 60.54 H new ATOM 0 HB2 MET A 473 6.614 15.623 -11.023 1.00 61.14 H new ATOM 0 HB3 MET A 473 6.119 15.875 -12.685 1.00 61.14 H new ATOM 0 HG2 MET A 473 4.077 14.844 -12.396 1.00 43.50 H new ATOM 0 HG3 MET A 473 4.671 13.744 -11.168 1.00 43.50 H new ATOM 0 HE1 MET A 473 3.546 18.184 -10.347 1.00 25.03 H new ATOM 0 HE2 MET A 473 4.960 17.733 -11.329 1.00 25.03 H new ATOM 0 HE3 MET A 473 3.318 17.375 -11.916 1.00 25.03 H new ATOM 1219 N LYS A 474 7.590 11.812 -11.090 1.00 1.34 N ATOM 1220 CA LYS A 474 8.175 11.041 -9.925 1.00 62.22 C ATOM 1221 C LYS A 474 8.985 9.820 -10.436 1.00 74.11 C ATOM 1222 O LYS A 474 8.826 9.420 -11.590 1.00 11.50 O ATOM 1223 CB LYS A 474 7.115 10.498 -8.873 1.00 63.32 C ATOM 1224 CG LYS A 474 5.999 11.440 -8.291 1.00 51.21 C ATOM 1225 CD LYS A 474 6.392 12.354 -7.072 1.00 53.14 C ATOM 1226 CE LYS A 474 7.778 13.022 -7.129 1.00 21.10 C ATOM 1227 NZ LYS A 474 7.898 14.049 -6.061 1.00 71.42 N ATOM 0 H LYS A 474 7.205 11.233 -11.837 1.00 1.34 H new ATOM 0 HA LYS A 474 8.801 11.771 -9.411 1.00 62.22 H new ATOM 0 HB2 LYS A 474 6.609 9.652 -9.337 1.00 63.32 H new ATOM 0 HB3 LYS A 474 7.678 10.107 -8.025 1.00 63.32 H new ATOM 0 HG2 LYS A 474 5.647 12.084 -9.097 1.00 51.21 H new ATOM 0 HG3 LYS A 474 5.156 10.818 -7.989 1.00 51.21 H new ATOM 0 HD2 LYS A 474 5.640 13.137 -6.977 1.00 53.14 H new ATOM 0 HD3 LYS A 474 6.341 11.752 -6.165 1.00 53.14 H new ATOM 0 HE2 LYS A 474 8.557 12.270 -7.009 1.00 21.10 H new ATOM 0 HE3 LYS A 474 7.928 13.483 -8.105 1.00 21.10 H new ATOM 0 HZ1 LYS A 474 8.837 14.493 -6.110 1.00 71.42 H new ATOM 0 HZ2 LYS A 474 7.165 14.775 -6.193 1.00 71.42 H new ATOM 0 HZ3 LYS A 474 7.776 13.599 -5.131 1.00 71.42 H new ATOM 1241 N ARG A 475 9.855 9.219 -9.573 1.00 21.44 N ATOM 1242 CA ARG A 475 10.610 7.991 -9.945 1.00 44.21 C ATOM 1243 C ARG A 475 10.508 6.920 -8.834 1.00 4.34 C ATOM 1244 O ARG A 475 10.443 7.271 -7.653 1.00 54.24 O ATOM 1245 CB ARG A 475 12.116 8.307 -10.268 1.00 20.22 C ATOM 1246 CG ARG A 475 13.026 8.825 -9.105 1.00 12.31 C ATOM 1247 CD ARG A 475 12.773 10.281 -8.668 1.00 55.44 C ATOM 1248 NE ARG A 475 13.882 11.158 -9.057 1.00 70.53 N ATOM 1249 CZ ARG A 475 14.625 11.883 -8.210 1.00 53.13 C ATOM 1250 NH1 ARG A 475 14.398 11.866 -6.898 1.00 73.34 N ATOM 1251 NH2 ARG A 475 15.618 12.632 -8.675 1.00 13.41 N ATOM 0 H ARG A 475 10.047 9.560 -8.631 1.00 21.44 H new ATOM 0 HA ARG A 475 10.153 7.595 -10.852 1.00 44.21 H new ATOM 0 HB2 ARG A 475 12.569 7.399 -10.667 1.00 20.22 H new ATOM 0 HB3 ARG A 475 12.137 9.051 -11.065 1.00 20.22 H new ATOM 0 HG2 ARG A 475 12.888 8.175 -8.241 1.00 12.31 H new ATOM 0 HG3 ARG A 475 14.068 8.731 -9.412 1.00 12.31 H new ATOM 0 HD2 ARG A 475 11.848 10.641 -9.117 1.00 55.44 H new ATOM 0 HD3 ARG A 475 12.639 10.320 -7.587 1.00 55.44 H new ATOM 0 HE ARG A 475 14.105 11.221 -10.050 1.00 70.53 H new ATOM 0 HH11 ARG A 475 13.645 11.292 -6.518 1.00 73.34 H new ATOM 0 HH12 ARG A 475 14.977 12.427 -6.273 1.00 73.34 H new ATOM 0 HH21 ARG A 475 15.814 12.655 -9.676 1.00 13.41 H new ATOM 0 HH22 ARG A 475 16.185 13.185 -8.031 1.00 13.41 H new ATOM 1265 N LEU A 476 10.494 5.612 -9.204 1.00 71.43 N ATOM 1266 CA LEU A 476 10.400 4.535 -8.170 1.00 64.14 C ATOM 1267 C LEU A 476 11.858 4.186 -7.670 1.00 45.24 C ATOM 1268 O LEU A 476 12.641 3.669 -8.459 1.00 24.42 O ATOM 1269 CB LEU A 476 9.724 3.192 -8.725 1.00 74.31 C ATOM 1270 CG LEU A 476 8.302 3.158 -9.447 1.00 5.42 C ATOM 1271 CD1 LEU A 476 7.148 3.749 -8.643 1.00 34.02 C ATOM 1272 CD2 LEU A 476 8.320 3.778 -10.848 1.00 33.31 C ATOM 0 H LEU A 476 10.544 5.282 -10.168 1.00 71.43 H new ATOM 0 HA LEU A 476 9.771 4.913 -7.365 1.00 64.14 H new ATOM 0 HB2 LEU A 476 10.436 2.757 -9.427 1.00 74.31 H new ATOM 0 HB3 LEU A 476 9.655 2.510 -7.878 1.00 74.31 H new ATOM 0 HG LEU A 476 8.109 2.089 -9.533 1.00 5.42 H new ATOM 0 HD11 LEU A 476 6.227 3.678 -9.222 1.00 34.02 H new ATOM 0 HD12 LEU A 476 7.034 3.197 -7.710 1.00 34.02 H new ATOM 0 HD13 LEU A 476 7.357 4.796 -8.422 1.00 34.02 H new ATOM 0 HD21 LEU A 476 7.322 3.723 -11.283 1.00 33.31 H new ATOM 0 HD22 LEU A 476 8.629 4.821 -10.780 1.00 33.31 H new ATOM 0 HD23 LEU A 476 9.022 3.232 -11.479 1.00 33.31 H new ATOM 1284 N LYS A 477 12.274 4.501 -6.389 1.00 51.14 N ATOM 1285 CA LYS A 477 13.601 4.020 -5.877 1.00 40.51 C ATOM 1286 C LYS A 477 13.428 2.837 -4.847 1.00 23.31 C ATOM 1287 O LYS A 477 12.804 3.049 -3.812 1.00 71.34 O ATOM 1288 CB LYS A 477 14.316 5.243 -5.224 1.00 62.23 C ATOM 1289 CG LYS A 477 15.768 5.534 -5.676 1.00 74.41 C ATOM 1290 CD LYS A 477 16.863 4.830 -4.844 1.00 55.53 C ATOM 1291 CE LYS A 477 16.990 3.336 -5.124 1.00 54.44 C ATOM 1292 NZ LYS A 477 18.069 2.710 -4.312 1.00 20.22 N ATOM 0 H LYS A 477 11.734 5.058 -5.727 1.00 51.14 H new ATOM 0 HA LYS A 477 14.201 3.622 -6.696 1.00 40.51 H new ATOM 0 HB2 LYS A 477 13.716 6.131 -5.421 1.00 62.23 H new ATOM 0 HB3 LYS A 477 14.321 5.095 -4.144 1.00 62.23 H new ATOM 0 HG2 LYS A 477 15.875 5.234 -6.718 1.00 74.41 H new ATOM 0 HG3 LYS A 477 15.937 6.610 -5.635 1.00 74.41 H new ATOM 0 HD2 LYS A 477 17.821 5.309 -5.044 1.00 55.53 H new ATOM 0 HD3 LYS A 477 16.649 4.974 -3.785 1.00 55.53 H new ATOM 0 HE2 LYS A 477 16.041 2.844 -4.909 1.00 54.44 H new ATOM 0 HE3 LYS A 477 17.196 3.181 -6.183 1.00 54.44 H new ATOM 0 HZ1 LYS A 477 18.124 1.695 -4.531 1.00 20.22 H new ATOM 0 HZ2 LYS A 477 18.979 3.162 -4.536 1.00 20.22 H new ATOM 0 HZ3 LYS A 477 17.860 2.835 -3.301 1.00 20.22 H new ATOM 1306 N VAL A 478 13.979 1.594 -5.107 1.00 25.04 N ATOM 1307 CA VAL A 478 13.590 0.400 -4.308 1.00 44.22 C ATOM 1308 C VAL A 478 14.791 -0.559 -4.022 1.00 44.43 C ATOM 1309 O VAL A 478 15.765 -0.569 -4.790 1.00 74.33 O ATOM 1310 CB VAL A 478 12.357 -0.323 -4.956 1.00 75.14 C ATOM 1311 CG1 VAL A 478 12.554 -1.812 -5.185 1.00 11.12 C ATOM 1312 CG2 VAL A 478 11.156 -0.166 -4.069 1.00 30.34 C ATOM 0 H VAL A 478 14.667 1.412 -5.838 1.00 25.04 H new ATOM 0 HA VAL A 478 13.277 0.749 -3.324 1.00 44.22 H new ATOM 0 HB VAL A 478 12.225 0.150 -5.929 1.00 75.14 H new ATOM 0 HG11 VAL A 478 11.655 -2.233 -5.635 1.00 11.12 H new ATOM 0 HG12 VAL A 478 13.402 -1.968 -5.852 1.00 11.12 H new ATOM 0 HG13 VAL A 478 12.747 -2.304 -4.232 1.00 11.12 H new ATOM 0 HG21 VAL A 478 10.301 -0.669 -4.521 1.00 30.34 H new ATOM 0 HG22 VAL A 478 11.363 -0.608 -3.094 1.00 30.34 H new ATOM 0 HG23 VAL A 478 10.930 0.893 -3.946 1.00 30.34 H new ATOM 1322 N GLN A 479 14.727 -1.341 -2.905 1.00 24.33 N ATOM 1323 CA GLN A 479 15.886 -2.166 -2.473 1.00 74.15 C ATOM 1324 C GLN A 479 15.450 -3.404 -1.624 1.00 21.42 C ATOM 1325 O GLN A 479 14.279 -3.471 -1.237 1.00 70.43 O ATOM 1326 CB GLN A 479 16.866 -1.266 -1.688 1.00 3.34 C ATOM 1327 CG GLN A 479 18.325 -1.705 -1.720 1.00 21.52 C ATOM 1328 CD GLN A 479 18.939 -1.562 -3.103 1.00 1.04 C ATOM 1329 OE1 GLN A 479 18.857 -2.465 -3.934 1.00 5.30 O ATOM 1330 NE2 GLN A 479 19.584 -0.436 -3.352 1.00 64.41 N ATOM 0 H GLN A 479 13.906 -1.415 -2.304 1.00 24.33 H new ATOM 0 HA GLN A 479 16.379 -2.568 -3.358 1.00 74.15 H new ATOM 0 HB2 GLN A 479 16.800 -0.253 -2.085 1.00 3.34 H new ATOM 0 HB3 GLN A 479 16.540 -1.223 -0.649 1.00 3.34 H new ATOM 0 HG2 GLN A 479 18.897 -1.111 -1.008 1.00 21.52 H new ATOM 0 HG3 GLN A 479 18.397 -2.744 -1.398 1.00 21.52 H new ATOM 0 HE21 GLN A 479 19.632 0.292 -2.640 1.00 64.41 H new ATOM 0 HE22 GLN A 479 20.034 -0.295 -4.257 1.00 64.41 H new ATOM 1339 N LEU A 480 16.392 -4.397 -1.343 1.00 25.02 N ATOM 1340 CA LEU A 480 16.087 -5.552 -0.374 1.00 25.02 C ATOM 1341 C LEU A 480 15.858 -4.911 1.023 1.00 54.13 C ATOM 1342 O LEU A 480 16.349 -3.789 1.199 1.00 50.13 O ATOM 1343 CB LEU A 480 17.272 -6.619 -0.267 1.00 41.41 C ATOM 1344 CG LEU A 480 16.991 -8.160 -0.429 1.00 34.13 C ATOM 1345 CD1 LEU A 480 16.595 -8.506 -1.861 1.00 71.24 C ATOM 1346 CD2 LEU A 480 18.261 -8.924 -0.061 1.00 45.13 C ATOM 0 H LEU A 480 17.327 -4.426 -1.751 1.00 25.02 H new ATOM 0 HA LEU A 480 15.217 -6.096 -0.743 1.00 25.02 H new ATOM 0 HB2 LEU A 480 18.014 -6.349 -1.018 1.00 41.41 H new ATOM 0 HB3 LEU A 480 17.740 -6.480 0.708 1.00 41.41 H new ATOM 0 HG LEU A 480 16.165 -8.437 0.226 1.00 34.13 H new ATOM 0 HD11 LEU A 480 16.408 -9.577 -1.938 1.00 71.24 H new ATOM 0 HD12 LEU A 480 15.691 -7.960 -2.131 1.00 71.24 H new ATOM 0 HD13 LEU A 480 17.402 -8.229 -2.539 1.00 71.24 H new ATOM 0 HD21 LEU A 480 18.085 -9.994 -0.167 1.00 45.13 H new ATOM 0 HD22 LEU A 480 19.072 -8.622 -0.723 1.00 45.13 H new ATOM 0 HD23 LEU A 480 18.533 -8.702 0.971 1.00 45.13 H new ATOM 1358 N LYS A 481 15.092 -5.551 1.988 1.00 74.33 N ATOM 1359 CA LYS A 481 14.792 -4.875 3.315 1.00 42.20 C ATOM 1360 C LYS A 481 16.093 -4.488 4.005 1.00 34.23 C ATOM 1361 O LYS A 481 16.846 -5.315 4.516 1.00 43.34 O ATOM 1362 CB LYS A 481 13.890 -5.734 4.302 1.00 23.45 C ATOM 1363 CG LYS A 481 13.564 -5.137 5.748 1.00 22.55 C ATOM 1364 CD LYS A 481 14.596 -5.487 6.859 1.00 52.31 C ATOM 1365 CE LYS A 481 13.983 -6.332 7.987 1.00 33.15 C ATOM 1366 NZ LYS A 481 15.022 -6.831 8.930 1.00 15.21 N ATOM 0 H LYS A 481 14.691 -6.483 1.881 1.00 74.33 H new ATOM 0 HA LYS A 481 14.205 -3.989 3.072 1.00 42.20 H new ATOM 0 HB2 LYS A 481 12.941 -5.927 3.801 1.00 23.45 H new ATOM 0 HB3 LYS A 481 14.378 -6.698 4.443 1.00 23.45 H new ATOM 0 HG2 LYS A 481 13.495 -4.052 5.668 1.00 22.55 H new ATOM 0 HG3 LYS A 481 12.583 -5.497 6.059 1.00 22.55 H new ATOM 0 HD2 LYS A 481 15.432 -6.029 6.416 1.00 52.31 H new ATOM 0 HD3 LYS A 481 15.000 -4.566 7.278 1.00 52.31 H new ATOM 0 HE2 LYS A 481 13.253 -5.735 8.533 1.00 33.15 H new ATOM 0 HE3 LYS A 481 13.446 -7.177 7.557 1.00 33.15 H new ATOM 0 HZ1 LYS A 481 14.570 -7.397 9.677 1.00 15.21 H new ATOM 0 HZ2 LYS A 481 15.705 -7.422 8.414 1.00 15.21 H new ATOM 0 HZ3 LYS A 481 15.518 -6.024 9.359 1.00 15.21 H new ATOM 1380 N ARG A 482 16.369 -3.206 3.916 1.00 63.31 N ATOM 1381 CA ARG A 482 17.462 -2.589 4.602 1.00 41.21 C ATOM 1382 C ARG A 482 16.889 -1.721 5.741 1.00 14.41 C ATOM 1383 O ARG A 482 16.239 -0.718 5.451 1.00 72.03 O ATOM 1384 CB ARG A 482 18.347 -1.830 3.519 1.00 53.54 C ATOM 1385 CG ARG A 482 17.835 -0.495 2.860 1.00 53.21 C ATOM 1386 CD ARG A 482 16.421 -0.504 2.218 1.00 15.21 C ATOM 1387 NE ARG A 482 16.096 0.795 1.620 1.00 72.12 N ATOM 1388 CZ ARG A 482 15.058 1.036 0.811 1.00 14.23 C ATOM 1389 NH1 ARG A 482 14.197 0.063 0.481 1.00 31.23 N ATOM 1390 NH2 ARG A 482 14.858 2.264 0.333 1.00 72.11 N ATOM 0 H ARG A 482 15.823 -2.557 3.350 1.00 63.31 H new ATOM 0 HA ARG A 482 18.134 -3.294 5.091 1.00 41.21 H new ATOM 0 HB2 ARG A 482 19.307 -1.610 3.985 1.00 53.54 H new ATOM 0 HB3 ARG A 482 18.539 -2.535 2.710 1.00 53.54 H new ATOM 0 HG2 ARG A 482 17.852 0.284 3.622 1.00 53.21 H new ATOM 0 HG3 ARG A 482 18.551 -0.204 2.091 1.00 53.21 H new ATOM 0 HD2 ARG A 482 16.372 -1.280 1.454 1.00 15.21 H new ATOM 0 HD3 ARG A 482 15.678 -0.754 2.975 1.00 15.21 H new ATOM 0 HE ARG A 482 16.711 1.579 1.839 1.00 72.12 H new ATOM 0 HH11 ARG A 482 14.328 -0.880 0.848 1.00 31.23 H new ATOM 0 HH12 ARG A 482 13.411 0.265 -0.137 1.00 31.23 H new ATOM 0 HH21 ARG A 482 15.496 3.019 0.584 1.00 72.11 H new ATOM 0 HH22 ARG A 482 14.067 2.449 -0.284 1.00 72.11 H new ATOM 1404 N SER A 483 17.098 -2.145 7.030 1.00 1.10 N ATOM 1405 CA SER A 483 16.673 -1.389 8.238 1.00 23.10 C ATOM 1406 C SER A 483 15.183 -0.939 8.206 1.00 12.13 C ATOM 1407 O SER A 483 14.874 0.133 7.679 1.00 41.14 O ATOM 1408 CB SER A 483 17.624 -0.181 8.450 1.00 52.00 C ATOM 1409 OG SER A 483 18.950 -0.630 8.696 1.00 13.23 O ATOM 0 H SER A 483 17.567 -3.023 7.251 1.00 1.10 H new ATOM 0 HA SER A 483 16.744 -2.070 9.086 1.00 23.10 H new ATOM 0 HB2 SER A 483 17.608 0.461 7.569 1.00 52.00 H new ATOM 0 HB3 SER A 483 17.276 0.421 9.289 1.00 52.00 H new ATOM 0 HG SER A 483 19.538 0.143 8.826 1.00 13.23 H new