USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 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 399 LYS NZ :NH3+ -114:sc= 0.817 (180deg=-0.0154) USER MOD Set 1.2: A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 398 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 406 ASN : amide:sc= -1.16 K(o=-1.2,f=-3) USER MOD Single : A 410 TYR OH : rot -100:sc= 0.0159 USER MOD Single : A 411 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-2) 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 :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -115:sc= -0.049 (180deg=-1.19) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 433 SER OG : rot -160:sc= -0.0351 USER MOD Single : A 435 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.046) USER MOD Single : A 453 TYR OH : rot 165:sc= -0.178 USER MOD Single : A 455 ASN : amide:sc= -0.424 K(o=-0.42,f=-3.5!) USER MOD Single : A 458 SER OG : rot 135:sc= 0.426 USER MOD Single : A 460 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.47) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.4!) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ -172:sc= 0.314 (180deg=0.282) USER MOD Single : A 477 LYS NZ :NH3+ 158:sc= -0.0712 (180deg=-0.418) USER MOD Single : A 479 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 481 LYS NZ :NH3+ 154:sc= -0.162 (180deg=-0.972) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.375 -8.071 8.267 1.00 64.22 N ATOM 57 CA GLN A 398 -1.440 -7.597 7.232 1.00 54.32 C ATOM 58 C GLN A 398 -0.546 -8.747 6.718 1.00 73.42 C ATOM 59 O GLN A 398 0.229 -9.323 7.493 1.00 62.01 O ATOM 60 CB GLN A 398 -0.548 -6.485 7.864 1.00 35.22 C ATOM 61 CG GLN A 398 -0.248 -5.272 6.980 1.00 34.03 C ATOM 62 CD GLN A 398 -1.487 -4.737 6.272 1.00 1.21 C ATOM 63 OE1 GLN A 398 -1.790 -5.133 5.146 1.00 33.11 O ATOM 64 NE2 GLN A 398 -2.235 -3.851 6.928 1.00 42.51 N ATOM 0 HA GLN A 398 -2.005 -7.210 6.384 1.00 54.32 H new ATOM 0 HB2 GLN A 398 -1.034 -6.133 8.774 1.00 35.22 H new ATOM 0 HB3 GLN A 398 0.400 -6.934 8.161 1.00 35.22 H new ATOM 0 HG2 GLN A 398 0.186 -4.481 7.592 1.00 34.03 H new ATOM 0 HG3 GLN A 398 0.500 -5.546 6.236 1.00 34.03 H new ATOM 0 HE21 GLN A 398 -1.959 -3.541 7.860 1.00 42.51 H new ATOM 0 HE22 GLN A 398 -3.084 -3.483 6.498 1.00 42.51 H new ATOM 73 N LYS A 399 -0.655 -9.091 5.423 1.00 70.33 N ATOM 74 CA LYS A 399 0.225 -10.132 4.865 1.00 53.24 C ATOM 75 C LYS A 399 1.466 -9.391 4.303 1.00 61.52 C ATOM 76 O LYS A 399 1.402 -8.820 3.214 1.00 63.25 O ATOM 77 CB LYS A 399 -0.635 -10.921 3.765 1.00 15.34 C ATOM 78 CG LYS A 399 -0.143 -12.261 3.058 1.00 62.01 C ATOM 79 CD LYS A 399 0.217 -13.456 3.985 1.00 33.12 C ATOM 80 CE LYS A 399 1.609 -13.354 4.621 1.00 64.22 C ATOM 81 NZ LYS A 399 2.687 -13.638 3.630 1.00 31.13 N ATOM 0 H LYS A 399 -1.317 -8.681 4.764 1.00 70.33 H new ATOM 0 HA LYS A 399 0.582 -10.873 5.581 1.00 53.24 H new ATOM 0 HB2 LYS A 399 -1.591 -11.155 4.233 1.00 15.34 H new ATOM 0 HB3 LYS A 399 -0.837 -10.209 2.965 1.00 15.34 H new ATOM 0 HG2 LYS A 399 -0.924 -12.588 2.371 1.00 62.01 H new ATOM 0 HG3 LYS A 399 0.733 -12.024 2.455 1.00 62.01 H new ATOM 0 HD2 LYS A 399 -0.529 -13.526 4.777 1.00 33.12 H new ATOM 0 HD3 LYS A 399 0.158 -14.380 3.409 1.00 33.12 H new ATOM 0 HE2 LYS A 399 1.748 -12.355 5.035 1.00 64.22 H new ATOM 0 HE3 LYS A 399 1.683 -14.056 5.451 1.00 64.22 H new ATOM 0 HZ1 LYS A 399 3.180 -14.515 3.895 1.00 31.13 H new ATOM 0 HZ2 LYS A 399 2.269 -13.748 2.684 1.00 31.13 H new ATOM 0 HZ3 LYS A 399 3.365 -12.850 3.619 1.00 31.13 H new ATOM 95 N GLU A 400 2.600 -9.397 5.069 1.00 14.35 N ATOM 96 CA GLU A 400 3.907 -8.928 4.535 1.00 71.15 C ATOM 97 C GLU A 400 4.616 -10.063 3.760 1.00 2.01 C ATOM 98 O GLU A 400 4.286 -11.229 4.001 1.00 12.41 O ATOM 99 CB GLU A 400 4.828 -8.350 5.688 1.00 3.53 C ATOM 100 CG GLU A 400 4.982 -9.210 6.972 1.00 11.23 C ATOM 101 CD GLU A 400 5.947 -8.580 7.955 1.00 24.10 C ATOM 102 OE1 GLU A 400 5.521 -7.688 8.726 1.00 71.02 O ATOM 103 OE2 GLU A 400 7.126 -8.989 7.976 1.00 53.34 O ATOM 0 H GLU A 400 2.631 -9.715 6.038 1.00 14.35 H new ATOM 0 HA GLU A 400 3.715 -8.113 3.838 1.00 71.15 H new ATOM 0 HB2 GLU A 400 5.822 -8.181 5.274 1.00 3.53 H new ATOM 0 HB3 GLU A 400 4.434 -7.376 5.979 1.00 3.53 H new ATOM 0 HG2 GLU A 400 4.008 -9.334 7.446 1.00 11.23 H new ATOM 0 HG3 GLU A 400 5.335 -10.206 6.703 1.00 11.23 H new ATOM 110 N GLY A 401 5.505 -9.729 2.764 1.00 13.42 N ATOM 111 CA GLY A 401 6.381 -10.709 2.135 1.00 64.14 C ATOM 112 C GLY A 401 7.036 -11.741 3.073 1.00 43.31 C ATOM 113 O GLY A 401 7.507 -11.368 4.143 1.00 74.12 O ATOM 0 H GLY A 401 5.612 -8.782 2.400 1.00 13.42 H new ATOM 0 HA2 GLY A 401 5.806 -11.248 1.382 1.00 64.14 H new ATOM 0 HA3 GLY A 401 7.172 -10.174 1.610 1.00 64.14 H new ATOM 117 N PRO A 402 7.113 -13.054 2.698 1.00 13.12 N ATOM 118 CA PRO A 402 7.771 -14.078 3.516 1.00 41.10 C ATOM 119 C PRO A 402 9.294 -14.058 3.300 1.00 2.01 C ATOM 120 O PRO A 402 9.802 -13.172 2.607 1.00 1.44 O ATOM 121 CB PRO A 402 7.163 -15.383 2.997 1.00 54.10 C ATOM 122 CG PRO A 402 7.016 -15.135 1.547 1.00 53.34 C ATOM 123 CD PRO A 402 6.656 -13.667 1.416 1.00 74.04 C ATOM 0 HA PRO A 402 7.622 -13.932 4.586 1.00 41.10 H new ATOM 0 HB2 PRO A 402 7.812 -16.236 3.196 1.00 54.10 H new ATOM 0 HB3 PRO A 402 6.203 -15.595 3.468 1.00 54.10 H new ATOM 0 HG2 PRO A 402 7.941 -15.360 1.016 1.00 53.34 H new ATOM 0 HG3 PRO A 402 6.239 -15.768 1.118 1.00 53.34 H new ATOM 0 HD2 PRO A 402 7.152 -13.212 0.559 1.00 74.04 H new ATOM 0 HD3 PRO A 402 5.584 -13.533 1.272 1.00 74.04 H new ATOM 131 N GLU A 403 9.990 -14.982 3.973 1.00 71.53 N ATOM 132 CA GLU A 403 11.447 -15.234 3.828 1.00 71.43 C ATOM 133 C GLU A 403 12.040 -14.942 2.388 1.00 34.24 C ATOM 134 O GLU A 403 11.781 -15.686 1.436 1.00 31.01 O ATOM 135 CB GLU A 403 11.594 -16.747 4.161 1.00 70.31 C ATOM 136 CG GLU A 403 11.755 -16.963 5.647 1.00 3.42 C ATOM 137 CD GLU A 403 11.167 -18.271 6.125 1.00 2.14 C ATOM 138 OE1 GLU A 403 11.815 -19.319 5.960 1.00 63.10 O ATOM 139 OE2 GLU A 403 10.040 -18.242 6.674 1.00 75.12 O ATOM 0 H GLU A 403 9.551 -15.599 4.657 1.00 71.53 H new ATOM 0 HA GLU A 403 12.005 -14.560 4.479 1.00 71.43 H new ATOM 0 HB2 GLU A 403 10.717 -17.288 3.805 1.00 70.31 H new ATOM 0 HB3 GLU A 403 12.457 -17.156 3.635 1.00 70.31 H new ATOM 0 HG2 GLU A 403 12.815 -16.935 5.899 1.00 3.42 H new ATOM 0 HG3 GLU A 403 11.278 -16.141 6.181 1.00 3.42 H new ATOM 146 N GLY A 404 12.792 -13.805 2.231 1.00 61.45 N ATOM 147 CA GLY A 404 13.673 -13.592 1.089 1.00 51.52 C ATOM 148 C GLY A 404 13.204 -12.513 0.125 1.00 33.40 C ATOM 149 O GLY A 404 14.054 -11.823 -0.439 1.00 52.31 O ATOM 0 H GLY A 404 12.788 -13.033 2.898 1.00 61.45 H new ATOM 0 HA2 GLY A 404 14.665 -13.328 1.455 1.00 51.52 H new ATOM 0 HA3 GLY A 404 13.774 -14.530 0.544 1.00 51.52 H new ATOM 153 N ALA A 405 11.891 -12.327 -0.096 1.00 60.31 N ATOM 154 CA ALA A 405 11.455 -11.077 -0.744 1.00 43.13 C ATOM 155 C ALA A 405 10.419 -10.302 0.030 1.00 61.42 C ATOM 156 O ALA A 405 9.379 -10.811 0.444 1.00 74.23 O ATOM 157 CB ALA A 405 11.018 -11.265 -2.188 1.00 21.44 C ATOM 0 H ALA A 405 11.150 -12.984 0.148 1.00 60.31 H new ATOM 0 HA ALA A 405 12.359 -10.468 -0.748 1.00 43.13 H new ATOM 0 HB1 ALA A 405 10.710 -10.305 -2.603 1.00 21.44 H new ATOM 0 HB2 ALA A 405 11.849 -11.663 -2.771 1.00 21.44 H new ATOM 0 HB3 ALA A 405 10.181 -11.962 -2.227 1.00 21.44 H new ATOM 163 N ASN A 406 10.754 -9.043 0.198 1.00 25.41 N ATOM 164 CA ASN A 406 9.881 -8.013 0.783 1.00 31.32 C ATOM 165 C ASN A 406 10.122 -6.723 -0.084 1.00 4.02 C ATOM 166 O ASN A 406 11.206 -6.137 0.030 1.00 70.30 O ATOM 167 CB ASN A 406 10.144 -7.880 2.367 1.00 53.42 C ATOM 168 CG ASN A 406 11.486 -8.412 2.877 1.00 63.21 C ATOM 169 OD1 ASN A 406 12.528 -8.373 2.210 1.00 31.42 O ATOM 170 ND2 ASN A 406 11.441 -8.956 4.090 1.00 21.42 N ATOM 0 H ASN A 406 11.668 -8.681 -0.073 1.00 25.41 H new ATOM 0 HA ASN A 406 8.818 -8.250 0.743 1.00 31.32 H new ATOM 0 HB2 ASN A 406 10.067 -6.828 2.640 1.00 53.42 H new ATOM 0 HB3 ASN A 406 9.346 -8.405 2.892 1.00 53.42 H new ATOM 0 HD21 ASN A 406 12.284 -9.359 4.500 1.00 21.42 H new ATOM 0 HD22 ASN A 406 10.564 -8.970 4.610 1.00 21.42 H new ATOM 177 N LEU A 407 9.161 -6.273 -0.992 1.00 51.13 N ATOM 178 CA LEU A 407 9.508 -5.333 -2.063 1.00 24.41 C ATOM 179 C LEU A 407 8.894 -3.968 -1.646 1.00 13.30 C ATOM 180 O LEU A 407 7.673 -3.873 -1.648 1.00 13.20 O ATOM 181 CB LEU A 407 8.865 -5.851 -3.437 1.00 31.51 C ATOM 182 CG LEU A 407 9.392 -7.131 -4.165 1.00 72.32 C ATOM 183 CD1 LEU A 407 9.108 -8.420 -3.398 1.00 41.10 C ATOM 184 CD2 LEU A 407 8.716 -7.218 -5.518 1.00 11.53 C ATOM 0 H LEU A 407 8.181 -6.556 -0.976 1.00 51.13 H new ATOM 0 HA LEU A 407 10.584 -5.244 -2.210 1.00 24.41 H new ATOM 0 HB2 LEU A 407 7.804 -6.011 -3.247 1.00 31.51 H new ATOM 0 HB3 LEU A 407 8.941 -5.030 -4.150 1.00 31.51 H new ATOM 0 HG LEU A 407 10.475 -7.038 -4.249 1.00 72.32 H new ATOM 0 HD11 LEU A 407 9.499 -9.270 -3.957 1.00 41.10 H new ATOM 0 HD12 LEU A 407 9.590 -8.376 -2.421 1.00 41.10 H new ATOM 0 HD13 LEU A 407 8.032 -8.536 -3.267 1.00 41.10 H new ATOM 0 HD21 LEU A 407 9.069 -8.105 -6.045 1.00 11.53 H new ATOM 0 HD22 LEU A 407 7.636 -7.282 -5.382 1.00 11.53 H new ATOM 0 HD23 LEU A 407 8.956 -6.330 -6.102 1.00 11.53 H new ATOM 196 N PHE A 408 9.664 -2.883 -1.292 1.00 54.53 N ATOM 197 CA PHE A 408 8.947 -1.628 -0.959 1.00 62.24 C ATOM 198 C PHE A 408 8.833 -0.665 -2.211 1.00 33.21 C ATOM 199 O PHE A 408 9.857 -0.171 -2.701 1.00 71.23 O ATOM 200 CB PHE A 408 9.643 -0.863 0.220 1.00 75.24 C ATOM 201 CG PHE A 408 9.795 -1.597 1.549 1.00 3.34 C ATOM 202 CD1 PHE A 408 10.647 -2.685 1.691 1.00 52.51 C ATOM 203 CD2 PHE A 408 9.076 -1.189 2.668 1.00 2.32 C ATOM 204 CE1 PHE A 408 10.760 -3.340 2.895 1.00 31.22 C ATOM 205 CE2 PHE A 408 9.189 -1.847 3.871 1.00 74.12 C ATOM 206 CZ PHE A 408 10.030 -2.927 3.981 1.00 32.43 C ATOM 0 H PHE A 408 10.682 -2.857 -1.236 1.00 54.53 H new ATOM 0 HA PHE A 408 7.944 -1.921 -0.650 1.00 62.24 H new ATOM 0 HB2 PHE A 408 10.637 -0.565 -0.114 1.00 75.24 H new ATOM 0 HB3 PHE A 408 9.080 0.052 0.405 1.00 75.24 H new ATOM 0 HD1 PHE A 408 11.228 -3.021 0.845 1.00 52.51 H new ATOM 0 HD2 PHE A 408 8.415 -0.338 2.591 1.00 2.32 H new ATOM 0 HE1 PHE A 408 11.427 -4.184 2.986 1.00 31.22 H new ATOM 0 HE2 PHE A 408 8.618 -1.515 4.726 1.00 74.12 H new ATOM 0 HZ PHE A 408 10.117 -3.451 4.921 1.00 32.43 H new ATOM 216 N ILE A 409 7.570 -0.382 -2.713 1.00 62.14 N ATOM 217 CA ILE A 409 7.368 0.407 -3.999 1.00 53.42 C ATOM 218 C ILE A 409 6.639 1.714 -3.799 1.00 31.33 C ATOM 219 O ILE A 409 5.532 1.757 -3.269 1.00 70.05 O ATOM 220 CB ILE A 409 6.688 -0.422 -5.159 1.00 74.23 C ATOM 221 CG1 ILE A 409 6.036 -1.764 -4.710 1.00 52.20 C ATOM 222 CG2 ILE A 409 7.711 -0.693 -6.253 1.00 24.51 C ATOM 223 CD1 ILE A 409 4.507 -1.774 -4.717 1.00 71.12 C ATOM 0 H ILE A 409 6.703 -0.677 -2.264 1.00 62.14 H new ATOM 0 HA ILE A 409 8.385 0.638 -4.316 1.00 53.42 H new ATOM 0 HB ILE A 409 5.867 0.195 -5.524 1.00 74.23 H new ATOM 0 HG12 ILE A 409 6.392 -2.560 -5.363 1.00 52.20 H new ATOM 0 HG13 ILE A 409 6.381 -1.999 -3.703 1.00 52.20 H new ATOM 0 HG21 ILE A 409 7.244 -1.265 -7.055 1.00 24.51 H new ATOM 0 HG22 ILE A 409 8.079 0.253 -6.649 1.00 24.51 H new ATOM 0 HG23 ILE A 409 8.544 -1.262 -5.839 1.00 24.51 H new ATOM 0 HD11 ILE A 409 4.148 -2.750 -4.390 1.00 71.12 H new ATOM 0 HD12 ILE A 409 4.135 -1.005 -4.040 1.00 71.12 H new ATOM 0 HD13 ILE A 409 4.146 -1.575 -5.726 1.00 71.12 H new ATOM 235 N TYR A 410 7.323 2.801 -4.236 1.00 41.34 N ATOM 236 CA TYR A 410 6.928 4.163 -3.856 1.00 30.41 C ATOM 237 C TYR A 410 7.275 5.188 -4.932 1.00 10.13 C ATOM 238 O TYR A 410 7.926 4.816 -5.899 1.00 64.20 O ATOM 239 CB TYR A 410 7.562 4.516 -2.490 1.00 14.30 C ATOM 240 CG TYR A 410 9.107 4.467 -2.378 1.00 54.33 C ATOM 241 CD1 TYR A 410 9.905 5.533 -2.793 1.00 73.12 C ATOM 242 CD2 TYR A 410 9.762 3.365 -1.797 1.00 4.02 C ATOM 243 CE1 TYR A 410 11.281 5.511 -2.646 1.00 44.23 C ATOM 244 CE2 TYR A 410 11.144 3.346 -1.656 1.00 61.42 C ATOM 245 CZ TYR A 410 11.889 4.421 -2.077 1.00 40.11 C ATOM 246 OH TYR A 410 13.256 4.397 -1.943 1.00 54.44 O ATOM 0 H TYR A 410 8.140 2.753 -4.844 1.00 41.34 H new ATOM 0 HA TYR A 410 5.843 4.196 -3.759 1.00 30.41 H new ATOM 0 HB2 TYR A 410 7.238 5.521 -2.220 1.00 14.30 H new ATOM 0 HB3 TYR A 410 7.150 3.837 -1.744 1.00 14.30 H new ATOM 0 HD1 TYR A 410 9.437 6.398 -3.240 1.00 73.12 H new ATOM 0 HD2 TYR A 410 9.181 2.521 -1.455 1.00 4.02 H new ATOM 0 HE1 TYR A 410 11.874 6.350 -2.978 1.00 44.23 H new ATOM 0 HE2 TYR A 410 11.632 2.488 -1.217 1.00 61.42 H new ATOM 0 HH TYR A 410 13.646 3.861 -2.665 1.00 54.44 H new ATOM 256 N HIS A 411 6.824 6.476 -4.760 1.00 74.12 N ATOM 257 CA HIS A 411 7.057 7.548 -5.761 1.00 72.10 C ATOM 258 C HIS A 411 6.223 7.274 -7.042 1.00 13.13 C ATOM 259 O HIS A 411 6.580 7.711 -8.136 1.00 20.45 O ATOM 260 CB HIS A 411 8.571 7.746 -6.087 1.00 33.14 C ATOM 261 CG HIS A 411 9.333 8.691 -5.157 1.00 13.25 C ATOM 262 ND1 HIS A 411 10.435 8.275 -4.438 1.00 32.33 N ATOM 263 CD2 HIS A 411 9.200 10.036 -4.864 1.00 65.15 C ATOM 264 CE1 HIS A 411 10.933 9.288 -3.749 1.00 14.23 C ATOM 265 NE2 HIS A 411 10.207 10.360 -3.992 1.00 41.35 N ATOM 0 H HIS A 411 6.302 6.783 -3.939 1.00 74.12 H new ATOM 0 HA HIS A 411 6.721 8.488 -5.323 1.00 72.10 H new ATOM 0 HB2 HIS A 411 9.059 6.772 -6.064 1.00 33.14 H new ATOM 0 HB3 HIS A 411 8.658 8.122 -7.107 1.00 33.14 H new ATOM 0 HD1 HIS A 411 10.810 7.326 -4.438 1.00 32.33 H new ATOM 0 HD2 HIS A 411 8.445 10.705 -5.250 1.00 65.15 H new ATOM 0 HE1 HIS A 411 11.792 9.244 -3.096 1.00 14.23 H new ATOM 274 N LEU A 412 5.085 6.560 -6.843 1.00 33.23 N ATOM 275 CA LEU A 412 4.049 6.292 -7.882 1.00 40.52 C ATOM 276 C LEU A 412 3.534 7.581 -8.581 1.00 52.54 C ATOM 277 O LEU A 412 3.412 8.638 -7.949 1.00 32.31 O ATOM 278 CB LEU A 412 2.808 5.580 -7.239 1.00 31.21 C ATOM 279 CG LEU A 412 2.263 6.274 -5.966 1.00 3.03 C ATOM 280 CD1 LEU A 412 0.751 6.383 -5.895 1.00 53.43 C ATOM 281 CD2 LEU A 412 2.766 5.643 -4.669 1.00 61.54 C ATOM 0 H LEU A 412 4.855 6.145 -5.940 1.00 33.23 H new ATOM 0 HA LEU A 412 4.535 5.662 -8.627 1.00 40.52 H new ATOM 0 HB2 LEU A 412 2.010 5.527 -7.980 1.00 31.21 H new ATOM 0 HB3 LEU A 412 3.081 4.554 -6.991 1.00 31.21 H new ATOM 0 HG LEU A 412 2.666 7.282 -6.061 1.00 3.03 H new ATOM 0 HD11 LEU A 412 0.465 6.882 -4.969 1.00 53.43 H new ATOM 0 HD12 LEU A 412 0.387 6.960 -6.746 1.00 53.43 H new ATOM 0 HD13 LEU A 412 0.313 5.385 -5.919 1.00 53.43 H new ATOM 0 HD21 LEU A 412 2.346 6.178 -3.817 1.00 61.54 H new ATOM 0 HD22 LEU A 412 2.458 4.598 -4.629 1.00 61.54 H new ATOM 0 HD23 LEU A 412 3.854 5.702 -4.634 1.00 61.54 H new ATOM 293 N PRO A 413 3.260 7.500 -9.917 1.00 15.23 N ATOM 294 CA PRO A 413 2.722 8.625 -10.714 1.00 14.21 C ATOM 295 C PRO A 413 1.256 8.968 -10.376 1.00 53.14 C ATOM 296 O PRO A 413 0.569 8.193 -9.736 1.00 60.32 O ATOM 297 CB PRO A 413 2.849 8.113 -12.164 1.00 11.32 C ATOM 298 CG PRO A 413 2.763 6.639 -12.044 1.00 50.42 C ATOM 299 CD PRO A 413 3.488 6.304 -10.777 1.00 72.40 C ATOM 0 HA PRO A 413 3.260 9.553 -10.520 1.00 14.21 H new ATOM 0 HB2 PRO A 413 2.053 8.507 -12.796 1.00 11.32 H new ATOM 0 HB3 PRO A 413 3.794 8.421 -12.613 1.00 11.32 H new ATOM 0 HG2 PRO A 413 1.725 6.307 -12.003 1.00 50.42 H new ATOM 0 HG3 PRO A 413 3.221 6.147 -12.902 1.00 50.42 H new ATOM 0 HD2 PRO A 413 3.094 5.398 -10.317 1.00 72.40 H new ATOM 0 HD3 PRO A 413 4.550 6.135 -10.955 1.00 72.40 H new ATOM 307 N GLN A 414 0.812 10.162 -10.788 1.00 24.53 N ATOM 308 CA GLN A 414 -0.600 10.636 -10.590 1.00 11.14 C ATOM 309 C GLN A 414 -1.667 9.680 -11.245 1.00 20.33 C ATOM 310 O GLN A 414 -2.820 9.661 -10.807 1.00 62.31 O ATOM 311 CB GLN A 414 -0.717 12.106 -11.129 1.00 72.22 C ATOM 312 CG GLN A 414 -1.602 12.334 -12.399 1.00 43.20 C ATOM 313 CD GLN A 414 -1.300 13.654 -13.081 1.00 71.33 C ATOM 314 OE1 GLN A 414 -1.909 14.679 -12.775 1.00 63.42 O ATOM 315 NE2 GLN A 414 -0.359 13.637 -14.016 1.00 22.34 N ATOM 0 H GLN A 414 1.405 10.839 -11.269 1.00 24.53 H new ATOM 0 HA GLN A 414 -0.825 10.619 -9.524 1.00 11.14 H new ATOM 0 HB2 GLN A 414 -1.111 12.730 -10.326 1.00 72.22 H new ATOM 0 HB3 GLN A 414 0.288 12.466 -11.349 1.00 72.22 H new ATOM 0 HG2 GLN A 414 -1.440 11.518 -13.103 1.00 43.20 H new ATOM 0 HG3 GLN A 414 -2.654 12.306 -12.116 1.00 43.20 H new ATOM 0 HE21 GLN A 414 0.122 12.766 -14.240 1.00 22.34 H new ATOM 0 HE22 GLN A 414 -0.117 14.495 -14.511 1.00 22.34 H new ATOM 324 N GLU A 415 -1.275 8.882 -12.280 1.00 32.41 N ATOM 325 CA GLU A 415 -2.220 7.941 -12.935 1.00 20.43 C ATOM 326 C GLU A 415 -2.299 6.612 -12.153 1.00 63.24 C ATOM 327 O GLU A 415 -3.381 6.032 -12.064 1.00 13.43 O ATOM 328 CB GLU A 415 -1.831 7.686 -14.420 1.00 5.14 C ATOM 329 CG GLU A 415 -2.910 8.074 -15.472 1.00 33.32 C ATOM 330 CD GLU A 415 -2.402 7.927 -16.892 1.00 15.11 C ATOM 331 OE1 GLU A 415 -1.787 8.887 -17.397 1.00 22.34 O ATOM 332 OE2 GLU A 415 -2.625 6.863 -17.507 1.00 71.40 O ATOM 0 H GLU A 415 -0.332 8.873 -12.669 1.00 32.41 H new ATOM 0 HA GLU A 415 -3.207 8.404 -12.927 1.00 20.43 H new ATOM 0 HB2 GLU A 415 -0.919 8.242 -14.639 1.00 5.14 H new ATOM 0 HB3 GLU A 415 -1.596 6.628 -14.539 1.00 5.14 H new ATOM 0 HG2 GLU A 415 -3.790 7.446 -15.336 1.00 33.32 H new ATOM 0 HG3 GLU A 415 -3.224 9.104 -15.305 1.00 33.32 H new ATOM 339 N PHE A 416 -1.170 6.134 -11.579 1.00 34.21 N ATOM 340 CA PHE A 416 -1.242 4.946 -10.659 1.00 41.44 C ATOM 341 C PHE A 416 -1.572 5.356 -9.194 1.00 32.13 C ATOM 342 O PHE A 416 -0.780 6.065 -8.605 1.00 43.23 O ATOM 343 CB PHE A 416 0.111 4.140 -10.584 1.00 4.35 C ATOM 344 CG PHE A 416 0.552 3.274 -11.742 1.00 24.25 C ATOM 345 CD1 PHE A 416 -0.137 3.145 -12.949 1.00 34.24 C ATOM 346 CD2 PHE A 416 1.714 2.541 -11.563 1.00 32.31 C ATOM 347 CE1 PHE A 416 0.347 2.309 -13.948 1.00 1.53 C ATOM 348 CE2 PHE A 416 2.188 1.707 -12.551 1.00 31.41 C ATOM 349 CZ PHE A 416 1.506 1.597 -13.743 1.00 4.10 C ATOM 0 H PHE A 416 -0.236 6.521 -11.718 1.00 34.21 H new ATOM 0 HA PHE A 416 -2.032 4.329 -11.088 1.00 41.44 H new ATOM 0 HB2 PHE A 416 0.906 4.862 -10.401 1.00 4.35 H new ATOM 0 HB3 PHE A 416 0.055 3.498 -9.705 1.00 4.35 H new ATOM 0 HD1 PHE A 416 -1.051 3.698 -13.107 1.00 34.24 H new ATOM 0 HD2 PHE A 416 2.257 2.625 -10.633 1.00 32.31 H new ATOM 0 HE1 PHE A 416 -0.186 2.218 -14.883 1.00 1.53 H new ATOM 0 HE2 PHE A 416 3.093 1.140 -12.392 1.00 31.41 H new ATOM 0 HZ PHE A 416 1.883 0.949 -14.520 1.00 4.10 H new ATOM 359 N GLY A 417 -2.722 4.939 -8.575 1.00 42.05 N ATOM 360 CA GLY A 417 -2.747 4.890 -7.118 1.00 0.43 C ATOM 361 C GLY A 417 -2.819 3.439 -6.608 1.00 51.43 C ATOM 362 O GLY A 417 -2.044 2.595 -7.076 1.00 34.21 O ATOM 0 H GLY A 417 -3.580 4.654 -9.046 1.00 42.05 H new ATOM 0 HA2 GLY A 417 -1.855 5.374 -6.720 1.00 0.43 H new ATOM 0 HA3 GLY A 417 -3.605 5.451 -6.748 1.00 0.43 H new ATOM 366 N ASP A 418 -3.732 3.110 -5.671 1.00 13.35 N ATOM 367 CA ASP A 418 -3.700 1.766 -5.045 1.00 40.13 C ATOM 368 C ASP A 418 -4.344 0.584 -5.825 1.00 10.23 C ATOM 369 O ASP A 418 -3.691 -0.470 -5.863 1.00 10.24 O ATOM 370 CB ASP A 418 -4.207 1.726 -3.597 1.00 62.41 C ATOM 371 CG ASP A 418 -5.544 2.429 -3.403 1.00 1.53 C ATOM 372 OD1 ASP A 418 -5.536 3.662 -3.200 1.00 23.11 O ATOM 373 OD2 ASP A 418 -6.599 1.754 -3.455 1.00 24.41 O ATOM 0 H ASP A 418 -4.474 3.726 -5.339 1.00 13.35 H new ATOM 0 HA ASP A 418 -2.624 1.597 -5.073 1.00 40.13 H new ATOM 0 HB2 ASP A 418 -4.303 0.687 -3.282 1.00 62.41 H new ATOM 0 HB3 ASP A 418 -3.464 2.189 -2.947 1.00 62.41 H new ATOM 378 N GLN A 419 -5.578 0.665 -6.437 1.00 14.31 N ATOM 379 CA GLN A 419 -6.152 -0.532 -7.049 1.00 41.12 C ATOM 380 C GLN A 419 -5.373 -0.851 -8.373 1.00 2.44 C ATOM 381 O GLN A 419 -5.504 -1.957 -8.914 1.00 22.44 O ATOM 382 CB GLN A 419 -7.720 -0.448 -7.284 1.00 74.32 C ATOM 383 CG GLN A 419 -8.163 0.571 -8.346 1.00 70.34 C ATOM 384 CD GLN A 419 -9.007 -0.069 -9.436 1.00 74.02 C ATOM 385 OE1 GLN A 419 -10.230 -0.174 -9.313 1.00 11.31 O ATOM 386 NE2 GLN A 419 -8.363 -0.495 -10.517 1.00 13.23 N ATOM 0 H GLN A 419 -6.146 1.509 -6.505 1.00 14.31 H new ATOM 0 HA GLN A 419 -6.031 -1.354 -6.344 1.00 41.12 H new ATOM 0 HB2 GLN A 419 -8.082 -1.434 -7.575 1.00 74.32 H new ATOM 0 HB3 GLN A 419 -8.201 -0.198 -6.339 1.00 74.32 H new ATOM 0 HG2 GLN A 419 -8.733 1.368 -7.868 1.00 70.34 H new ATOM 0 HG3 GLN A 419 -7.283 1.033 -8.794 1.00 70.34 H new ATOM 0 HE21 GLN A 419 -7.350 -0.390 -10.582 1.00 13.23 H new ATOM 0 HE22 GLN A 419 -8.881 -0.927 -11.282 1.00 13.23 H new ATOM 395 N ASP A 420 -4.555 0.125 -8.901 1.00 31.44 N ATOM 396 CA ASP A 420 -3.851 -0.068 -10.173 1.00 5.55 C ATOM 397 C ASP A 420 -2.399 -0.549 -9.957 1.00 22.11 C ATOM 398 O ASP A 420 -1.696 -0.824 -10.930 1.00 14.33 O ATOM 399 CB ASP A 420 -3.890 1.179 -11.084 1.00 74.34 C ATOM 400 CG ASP A 420 -4.967 2.177 -10.694 1.00 34.21 C ATOM 401 OD1 ASP A 420 -6.146 1.935 -11.023 1.00 62.11 O ATOM 402 OD2 ASP A 420 -4.635 3.191 -10.046 1.00 11.55 O ATOM 0 H ASP A 420 -4.385 1.028 -8.457 1.00 31.44 H new ATOM 0 HA ASP A 420 -4.396 -0.854 -10.696 1.00 5.55 H new ATOM 0 HB2 ASP A 420 -2.919 1.673 -11.053 1.00 74.34 H new ATOM 0 HB3 ASP A 420 -4.054 0.862 -12.114 1.00 74.34 H new ATOM 407 N ILE A 421 -1.925 -0.560 -8.689 1.00 73.20 N ATOM 408 CA ILE A 421 -0.503 -0.910 -8.357 1.00 34.23 C ATOM 409 C ILE A 421 -0.182 -2.384 -8.783 1.00 74.21 C ATOM 410 O ILE A 421 0.924 -2.692 -9.238 1.00 10.10 O ATOM 411 CB ILE A 421 -0.228 -0.636 -6.814 1.00 32.53 C ATOM 412 CG1 ILE A 421 1.120 0.154 -6.562 1.00 63.31 C ATOM 413 CG2 ILE A 421 -0.261 -1.933 -5.949 1.00 12.11 C ATOM 414 CD1 ILE A 421 1.253 0.750 -5.142 1.00 74.32 C ATOM 0 H ILE A 421 -2.496 -0.333 -7.875 1.00 73.20 H new ATOM 0 HA ILE A 421 0.175 -0.273 -8.925 1.00 34.23 H new ATOM 0 HB ILE A 421 -1.054 -0.002 -6.493 1.00 32.53 H new ATOM 0 HG12 ILE A 421 1.960 -0.517 -6.741 1.00 63.31 H new ATOM 0 HG13 ILE A 421 1.196 0.961 -7.291 1.00 63.31 H new ATOM 0 HG21 ILE A 421 -0.066 -1.680 -4.907 1.00 12.11 H new ATOM 0 HG22 ILE A 421 -1.242 -2.401 -6.032 1.00 12.11 H new ATOM 0 HG23 ILE A 421 0.502 -2.626 -6.303 1.00 12.11 H new ATOM 0 HD11 ILE A 421 2.205 1.274 -5.055 1.00 74.32 H new ATOM 0 HD12 ILE A 421 0.436 1.449 -4.963 1.00 74.32 H new ATOM 0 HD13 ILE A 421 1.212 -0.052 -4.405 1.00 74.32 H new ATOM 426 N LEU A 422 -1.188 -3.255 -8.633 1.00 73.35 N ATOM 427 CA LEU A 422 -1.177 -4.641 -9.069 1.00 71.54 C ATOM 428 C LEU A 422 -1.279 -4.758 -10.637 1.00 34.30 C ATOM 429 O LEU A 422 -0.853 -5.778 -11.178 1.00 71.23 O ATOM 430 CB LEU A 422 -2.311 -5.389 -8.226 1.00 31.11 C ATOM 431 CG LEU A 422 -3.134 -6.606 -8.780 1.00 24.13 C ATOM 432 CD1 LEU A 422 -4.069 -7.125 -7.696 1.00 72.11 C ATOM 433 CD2 LEU A 422 -4.028 -6.277 -9.971 1.00 75.14 C ATOM 0 H LEU A 422 -2.066 -2.993 -8.184 1.00 73.35 H new ATOM 0 HA LEU A 422 -0.230 -5.140 -8.866 1.00 71.54 H new ATOM 0 HB2 LEU A 422 -1.836 -5.731 -7.307 1.00 31.11 H new ATOM 0 HB3 LEU A 422 -3.038 -4.628 -7.945 1.00 31.11 H new ATOM 0 HG LEU A 422 -2.382 -7.329 -9.096 1.00 24.13 H new ATOM 0 HD11 LEU A 422 -4.640 -7.970 -8.082 1.00 72.11 H new ATOM 0 HD12 LEU A 422 -3.484 -7.446 -6.834 1.00 72.11 H new ATOM 0 HD13 LEU A 422 -4.753 -6.332 -7.395 1.00 72.11 H new ATOM 0 HD21 LEU A 422 -4.558 -7.175 -10.287 1.00 75.14 H new ATOM 0 HD22 LEU A 422 -4.749 -5.512 -9.684 1.00 75.14 H new ATOM 0 HD23 LEU A 422 -3.416 -5.908 -10.794 1.00 75.14 H new ATOM 445 N GLN A 423 -1.789 -3.697 -11.371 1.00 55.22 N ATOM 446 CA GLN A 423 -2.027 -3.770 -12.841 1.00 22.52 C ATOM 447 C GLN A 423 -0.707 -3.920 -13.626 1.00 24.50 C ATOM 448 O GLN A 423 -0.646 -4.694 -14.594 1.00 73.22 O ATOM 449 CB GLN A 423 -2.864 -2.560 -13.383 1.00 14.25 C ATOM 450 CG GLN A 423 -4.396 -2.704 -13.179 1.00 14.34 C ATOM 451 CD GLN A 423 -5.192 -1.511 -13.692 1.00 52.54 C ATOM 452 OE1 GLN A 423 -4.718 -0.869 -14.745 1.00 1.24 O flip ATOM 453 NE2 GLN A 423 -6.245 -1.182 -13.147 1.00 34.23 N flip ATOM 0 H GLN A 423 -2.035 -2.797 -10.958 1.00 55.22 H new ATOM 0 HA GLN A 423 -2.624 -4.667 -13.004 1.00 22.52 H new ATOM 0 HB2 GLN A 423 -2.527 -1.649 -12.888 1.00 14.25 H new ATOM 0 HB3 GLN A 423 -2.660 -2.439 -14.447 1.00 14.25 H new ATOM 0 HG2 GLN A 423 -4.739 -3.605 -13.687 1.00 14.34 H new ATOM 0 HG3 GLN A 423 -4.602 -2.839 -12.117 1.00 14.34 H new ATOM 0 HE21 GLN A 423 -6.583 -1.700 -12.335 1.00 34.23 H new ATOM 0 HE22 GLN A 423 -6.780 -0.392 -13.507 1.00 34.23 H new ATOM 462 N MET A 424 0.347 -3.200 -13.208 1.00 64.53 N ATOM 463 CA MET A 424 1.653 -3.302 -13.889 1.00 30.35 C ATOM 464 C MET A 424 2.494 -4.523 -13.409 1.00 10.14 C ATOM 465 O MET A 424 3.122 -5.176 -14.247 1.00 23.31 O ATOM 466 CB MET A 424 2.449 -1.980 -13.734 1.00 14.24 C ATOM 467 CG MET A 424 3.214 -1.521 -14.994 1.00 12.21 C ATOM 468 SD MET A 424 4.556 -2.622 -15.503 1.00 60.44 S ATOM 469 CE MET A 424 5.242 -1.689 -16.875 1.00 33.22 C ATOM 0 H MET A 424 0.326 -2.554 -12.419 1.00 64.53 H new ATOM 0 HA MET A 424 1.448 -3.470 -14.946 1.00 30.35 H new ATOM 0 HB2 MET A 424 1.757 -1.190 -13.441 1.00 14.24 H new ATOM 0 HB3 MET A 424 3.162 -2.098 -12.918 1.00 14.24 H new ATOM 0 HG2 MET A 424 2.507 -1.427 -15.818 1.00 12.21 H new ATOM 0 HG3 MET A 424 3.625 -0.528 -14.812 1.00 12.21 H new ATOM 0 HE1 MET A 424 6.084 -2.235 -17.302 1.00 33.22 H new ATOM 0 HE2 MET A 424 4.477 -1.548 -17.638 1.00 33.22 H new ATOM 0 HE3 MET A 424 5.583 -0.717 -16.519 1.00 33.22 H new ATOM 479 N PHE A 425 2.479 -4.884 -12.095 1.00 64.24 N ATOM 480 CA PHE A 425 3.402 -5.911 -11.578 1.00 41.30 C ATOM 481 C PHE A 425 2.984 -7.386 -11.850 1.00 11.21 C ATOM 482 O PHE A 425 3.671 -8.300 -11.387 1.00 43.54 O ATOM 483 CB PHE A 425 3.839 -5.649 -10.100 1.00 3.42 C ATOM 484 CG PHE A 425 5.209 -5.057 -10.007 1.00 62.13 C ATOM 485 CD1 PHE A 425 5.400 -3.718 -10.294 1.00 12.01 C ATOM 486 CD2 PHE A 425 6.311 -5.834 -9.667 1.00 71.23 C ATOM 487 CE1 PHE A 425 6.642 -3.157 -10.245 1.00 30.32 C ATOM 488 CE2 PHE A 425 7.561 -5.279 -9.623 1.00 2.44 C ATOM 489 CZ PHE A 425 7.734 -3.934 -9.914 1.00 35.02 C ATOM 0 H PHE A 425 1.851 -4.485 -11.397 1.00 64.24 H new ATOM 0 HA PHE A 425 4.296 -5.790 -12.189 1.00 41.30 H new ATOM 0 HB2 PHE A 425 3.123 -4.978 -9.626 1.00 3.42 H new ATOM 0 HB3 PHE A 425 3.813 -6.587 -9.545 1.00 3.42 H new ATOM 0 HD1 PHE A 425 4.551 -3.106 -10.561 1.00 12.01 H new ATOM 0 HD2 PHE A 425 6.180 -6.881 -9.436 1.00 71.23 H new ATOM 0 HE1 PHE A 425 6.771 -2.107 -10.465 1.00 30.32 H new ATOM 0 HE2 PHE A 425 8.413 -5.889 -9.362 1.00 2.44 H new ATOM 0 HZ PHE A 425 8.721 -3.496 -9.882 1.00 35.02 H new ATOM 499 N MET A 426 1.894 -7.618 -12.631 1.00 34.34 N ATOM 500 CA MET A 426 1.247 -8.922 -12.716 1.00 10.21 C ATOM 501 C MET A 426 2.064 -9.952 -13.562 1.00 14.43 C ATOM 502 O MET A 426 2.200 -11.098 -13.122 1.00 74.10 O ATOM 503 CB MET A 426 -0.161 -8.755 -13.288 1.00 13.44 C ATOM 504 CG MET A 426 -1.234 -8.923 -12.234 1.00 11.14 C ATOM 505 SD MET A 426 -1.518 -10.658 -11.845 1.00 10.11 S ATOM 506 CE MET A 426 -2.106 -10.518 -10.168 1.00 44.23 C ATOM 0 H MET A 426 1.455 -6.901 -13.209 1.00 34.34 H new ATOM 0 HA MET A 426 1.194 -9.328 -11.706 1.00 10.21 H new ATOM 0 HB2 MET A 426 -0.252 -7.768 -13.741 1.00 13.44 H new ATOM 0 HB3 MET A 426 -0.317 -9.486 -14.082 1.00 13.44 H new ATOM 0 HG2 MET A 426 -0.942 -8.390 -11.329 1.00 11.14 H new ATOM 0 HG3 MET A 426 -2.162 -8.472 -12.584 1.00 11.14 H new ATOM 0 HE1 MET A 426 -1.395 -10.994 -9.492 1.00 44.23 H new ATOM 0 HE2 MET A 426 -2.208 -9.465 -9.905 1.00 44.23 H new ATOM 0 HE3 MET A 426 -3.075 -11.009 -10.080 1.00 44.23 H new ATOM 516 N PRO A 427 2.596 -9.595 -14.815 1.00 55.15 N ATOM 517 CA PRO A 427 3.380 -10.544 -15.644 1.00 21.32 C ATOM 518 C PRO A 427 4.731 -11.009 -15.063 1.00 43.42 C ATOM 519 O PRO A 427 5.207 -12.091 -15.421 1.00 3.23 O ATOM 520 CB PRO A 427 3.626 -9.809 -16.964 1.00 24.24 C ATOM 521 CG PRO A 427 3.216 -8.395 -16.787 1.00 22.15 C ATOM 522 CD PRO A 427 2.388 -8.308 -15.545 1.00 73.21 C ATOM 0 HA PRO A 427 2.806 -11.467 -15.726 1.00 21.32 H new ATOM 0 HB2 PRO A 427 4.678 -9.868 -17.242 1.00 24.24 H new ATOM 0 HB3 PRO A 427 3.057 -10.272 -17.770 1.00 24.24 H new ATOM 0 HG2 PRO A 427 4.092 -7.751 -16.707 1.00 22.15 H new ATOM 0 HG3 PRO A 427 2.646 -8.052 -17.650 1.00 22.15 H new ATOM 0 HD2 PRO A 427 2.693 -7.459 -14.933 1.00 73.21 H new ATOM 0 HD3 PRO A 427 1.335 -8.164 -15.788 1.00 73.21 H new ATOM 530 N PHE A 428 5.366 -10.199 -14.203 1.00 33.03 N ATOM 531 CA PHE A 428 6.620 -10.602 -13.535 1.00 0.44 C ATOM 532 C PHE A 428 6.407 -11.653 -12.376 1.00 14.14 C ATOM 533 O PHE A 428 7.377 -11.943 -11.666 1.00 31.12 O ATOM 534 CB PHE A 428 7.445 -9.346 -13.009 1.00 41.22 C ATOM 535 CG PHE A 428 8.005 -8.408 -14.062 1.00 43.15 C ATOM 536 CD1 PHE A 428 8.631 -8.894 -15.202 1.00 2.11 C ATOM 537 CD2 PHE A 428 7.921 -7.021 -13.895 1.00 64.11 C ATOM 538 CE1 PHE A 428 9.149 -8.032 -16.146 1.00 53.31 C ATOM 539 CE2 PHE A 428 8.438 -6.158 -14.843 1.00 72.14 C ATOM 540 CZ PHE A 428 9.050 -6.667 -15.970 1.00 0.30 C ATOM 0 H PHE A 428 5.037 -9.266 -13.953 1.00 33.03 H new ATOM 0 HA PHE A 428 7.207 -11.101 -14.306 1.00 0.44 H new ATOM 0 HB2 PHE A 428 6.800 -8.768 -12.347 1.00 41.22 H new ATOM 0 HB3 PHE A 428 8.275 -9.713 -12.405 1.00 41.22 H new ATOM 0 HD1 PHE A 428 8.713 -9.960 -15.352 1.00 2.11 H new ATOM 0 HD2 PHE A 428 7.445 -6.619 -13.013 1.00 64.11 H new ATOM 0 HE1 PHE A 428 9.634 -8.427 -17.026 1.00 53.31 H new ATOM 0 HE2 PHE A 428 8.363 -5.090 -14.702 1.00 72.14 H new ATOM 0 HZ PHE A 428 9.452 -5.996 -16.715 1.00 0.30 H new ATOM 550 N GLY A 429 5.203 -12.298 -12.201 1.00 52.32 N ATOM 551 CA GLY A 429 5.039 -13.170 -11.007 1.00 55.24 C ATOM 552 C GLY A 429 3.728 -12.878 -10.154 1.00 31.15 C ATOM 553 O GLY A 429 3.138 -11.814 -10.326 1.00 60.13 O ATOM 0 H GLY A 429 4.397 -12.234 -12.823 1.00 52.32 H new ATOM 0 HA2 GLY A 429 5.022 -14.210 -11.332 1.00 55.24 H new ATOM 0 HA3 GLY A 429 5.910 -13.051 -10.363 1.00 55.24 H new ATOM 557 N ASN A 430 3.278 -13.818 -9.220 1.00 4.31 N ATOM 558 CA ASN A 430 1.928 -13.718 -8.502 1.00 12.43 C ATOM 559 C ASN A 430 1.891 -12.681 -7.289 1.00 33.12 C ATOM 560 O ASN A 430 2.883 -12.560 -6.567 1.00 44.12 O ATOM 561 CB ASN A 430 1.511 -15.161 -8.042 1.00 32.03 C ATOM 562 CG ASN A 430 0.069 -15.315 -7.523 1.00 73.24 C ATOM 563 OD1 ASN A 430 -0.819 -14.500 -7.808 1.00 75.31 O ATOM 564 ND2 ASN A 430 -0.184 -16.434 -6.824 1.00 12.01 N ATOM 0 H ASN A 430 3.821 -14.639 -8.952 1.00 4.31 H new ATOM 0 HA ASN A 430 1.208 -13.312 -9.212 1.00 12.43 H new ATOM 0 HB2 ASN A 430 1.648 -15.842 -8.882 1.00 32.03 H new ATOM 0 HB3 ASN A 430 2.195 -15.482 -7.256 1.00 32.03 H new ATOM 0 HD21 ASN A 430 -1.133 -16.635 -6.509 1.00 12.01 H new ATOM 0 HD22 ASN A 430 0.573 -17.082 -6.608 1.00 12.01 H new ATOM 571 N VAL A 431 0.722 -11.951 -7.066 1.00 22.24 N ATOM 572 CA VAL A 431 0.548 -10.916 -5.961 1.00 10.10 C ATOM 573 C VAL A 431 -0.225 -11.496 -4.737 1.00 61.43 C ATOM 574 O VAL A 431 -0.991 -12.450 -4.908 1.00 1.43 O ATOM 575 CB VAL A 431 -0.213 -9.591 -6.387 1.00 71.43 C ATOM 576 CG1 VAL A 431 0.343 -8.976 -7.660 1.00 51.53 C ATOM 577 CG2 VAL A 431 -1.736 -9.746 -6.515 1.00 31.42 C ATOM 0 H VAL A 431 -0.113 -12.065 -7.641 1.00 22.24 H new ATOM 0 HA VAL A 431 1.577 -10.658 -5.711 1.00 10.10 H new ATOM 0 HB VAL A 431 -0.027 -8.913 -5.554 1.00 71.43 H new ATOM 0 HG11 VAL A 431 -0.217 -8.073 -7.902 1.00 51.53 H new ATOM 0 HG12 VAL A 431 1.393 -8.724 -7.514 1.00 51.53 H new ATOM 0 HG13 VAL A 431 0.252 -9.690 -8.479 1.00 51.53 H new ATOM 0 HG21 VAL A 431 -2.175 -8.793 -6.809 1.00 31.42 H new ATOM 0 HG22 VAL A 431 -1.963 -10.499 -7.270 1.00 31.42 H new ATOM 0 HG23 VAL A 431 -2.152 -10.056 -5.557 1.00 31.42 H new ATOM 587 N ILE A 432 0.015 -10.994 -3.486 1.00 51.22 N ATOM 588 CA ILE A 432 -0.900 -11.413 -2.358 1.00 70.31 C ATOM 589 C ILE A 432 -1.669 -10.219 -1.697 1.00 62.42 C ATOM 590 O ILE A 432 -2.900 -10.251 -1.692 1.00 44.14 O ATOM 591 CB ILE A 432 -0.336 -12.470 -1.274 1.00 65.12 C ATOM 592 CG1 ILE A 432 1.010 -13.162 -1.659 1.00 52.34 C ATOM 593 CG2 ILE A 432 -1.345 -13.623 -1.094 1.00 70.24 C ATOM 594 CD1 ILE A 432 1.412 -14.394 -0.767 1.00 33.33 C ATOM 0 H ILE A 432 0.767 -10.351 -3.237 1.00 51.22 H new ATOM 0 HA ILE A 432 -1.627 -12.017 -2.902 1.00 70.31 H new ATOM 0 HB ILE A 432 -0.178 -11.870 -0.378 1.00 65.12 H new ATOM 0 HG12 ILE A 432 0.947 -13.491 -2.696 1.00 52.34 H new ATOM 0 HG13 ILE A 432 1.808 -12.421 -1.607 1.00 52.34 H new ATOM 0 HG21 ILE A 432 -0.960 -14.333 -0.362 1.00 70.24 H new ATOM 0 HG22 ILE A 432 -2.297 -13.222 -0.745 1.00 70.24 H new ATOM 0 HG23 ILE A 432 -1.493 -14.130 -2.048 1.00 70.24 H new ATOM 0 HD11 ILE A 432 2.360 -14.802 -1.116 1.00 33.33 H new ATOM 0 HD12 ILE A 432 1.515 -14.074 0.270 1.00 33.33 H new ATOM 0 HD13 ILE A 432 0.640 -15.160 -0.836 1.00 33.33 H new ATOM 606 N SER A 433 -0.998 -9.161 -1.141 1.00 51.22 N ATOM 607 CA SER A 433 -1.777 -8.061 -0.424 1.00 23.43 C ATOM 608 C SER A 433 -1.222 -6.596 -0.683 1.00 24.34 C ATOM 609 O SER A 433 -0.001 -6.473 -0.829 1.00 11.14 O ATOM 610 CB SER A 433 -1.783 -8.377 1.099 1.00 1.24 C ATOM 611 OG SER A 433 -2.629 -9.484 1.360 1.00 61.42 O ATOM 0 H SER A 433 0.014 -9.035 -1.163 1.00 51.22 H new ATOM 0 HA SER A 433 -2.787 -8.060 -0.833 1.00 23.43 H new ATOM 0 HB2 SER A 433 -0.770 -8.595 1.438 1.00 1.24 H new ATOM 0 HB3 SER A 433 -2.126 -7.507 1.658 1.00 1.24 H new ATOM 0 HG SER A 433 -2.883 -9.486 2.307 1.00 61.42 H new ATOM 617 N ALA A 434 -2.093 -5.473 -0.769 1.00 3.11 N ATOM 618 CA ALA A 434 -1.519 -4.055 -0.813 1.00 40.12 C ATOM 619 C ALA A 434 -2.379 -2.903 -0.308 1.00 33.24 C ATOM 620 O ALA A 434 -3.608 -2.936 -0.323 1.00 1.12 O ATOM 621 CB ALA A 434 -1.042 -3.659 -2.201 1.00 41.33 C ATOM 0 H ALA A 434 -3.111 -5.529 -0.806 1.00 3.11 H new ATOM 0 HA ALA A 434 -0.707 -4.172 -0.095 1.00 40.12 H new ATOM 0 HB1 ALA A 434 -0.645 -2.644 -2.174 1.00 41.33 H new ATOM 0 HB2 ALA A 434 -0.261 -4.346 -2.527 1.00 41.33 H new ATOM 0 HB3 ALA A 434 -1.878 -3.703 -2.899 1.00 41.33 H new ATOM 627 N LYS A 435 -1.616 -1.869 0.146 1.00 13.43 N ATOM 628 CA LYS A 435 -2.117 -0.552 0.592 1.00 34.41 C ATOM 629 C LYS A 435 -1.006 0.520 0.428 1.00 63.12 C ATOM 630 O LYS A 435 0.177 0.177 0.517 1.00 44.32 O ATOM 631 CB LYS A 435 -2.523 -0.598 2.076 1.00 45.00 C ATOM 632 CG LYS A 435 -1.814 -1.669 2.907 1.00 43.11 C ATOM 633 CD LYS A 435 -2.390 -1.763 4.309 1.00 63.32 C ATOM 634 CE LYS A 435 -2.044 -0.547 5.165 1.00 2.55 C ATOM 635 NZ LYS A 435 -0.605 -0.518 5.540 1.00 73.40 N ATOM 0 H LYS A 435 -0.601 -1.940 0.211 1.00 13.43 H new ATOM 0 HA LYS A 435 -2.984 -0.299 -0.018 1.00 34.41 H new ATOM 0 HB2 LYS A 435 -2.325 0.377 2.522 1.00 45.00 H new ATOM 0 HB3 LYS A 435 -3.598 -0.764 2.138 1.00 45.00 H new ATOM 0 HG2 LYS A 435 -1.905 -2.635 2.410 1.00 43.11 H new ATOM 0 HG3 LYS A 435 -0.750 -1.440 2.965 1.00 43.11 H new ATOM 0 HD2 LYS A 435 -3.474 -1.864 4.247 1.00 63.32 H new ATOM 0 HD3 LYS A 435 -2.013 -2.664 4.794 1.00 63.32 H new ATOM 0 HE2 LYS A 435 -2.294 0.363 4.620 1.00 2.55 H new ATOM 0 HE3 LYS A 435 -2.654 -0.555 6.069 1.00 2.55 H new ATOM 0 HZ1 LYS A 435 -0.441 0.244 6.228 1.00 73.40 H new ATOM 0 HZ2 LYS A 435 -0.338 -1.430 5.963 1.00 73.40 H new ATOM 0 HZ3 LYS A 435 -0.028 -0.348 4.691 1.00 73.40 H new ATOM 649 N VAL A 436 -1.362 1.804 0.190 1.00 24.13 N ATOM 650 CA VAL A 436 -0.378 2.907 0.337 1.00 31.43 C ATOM 651 C VAL A 436 -0.818 3.757 1.526 1.00 11.03 C ATOM 652 O VAL A 436 -1.999 4.115 1.575 1.00 20.45 O ATOM 653 CB VAL A 436 -0.238 3.847 -0.942 1.00 55.10 C ATOM 654 CG1 VAL A 436 1.070 3.638 -1.686 1.00 30.22 C ATOM 655 CG2 VAL A 436 -1.392 3.721 -1.936 1.00 51.13 C ATOM 0 H VAL A 436 -2.295 2.099 -0.097 1.00 24.13 H new ATOM 0 HA VAL A 436 0.601 2.448 0.476 1.00 31.43 H new ATOM 0 HB VAL A 436 -0.260 4.853 -0.523 1.00 55.10 H new ATOM 0 HG11 VAL A 436 1.109 4.305 -2.547 1.00 30.22 H new ATOM 0 HG12 VAL A 436 1.906 3.855 -1.021 1.00 30.22 H new ATOM 0 HG13 VAL A 436 1.135 2.604 -2.025 1.00 30.22 H new ATOM 0 HG21 VAL A 436 -1.222 4.392 -2.778 1.00 51.13 H new ATOM 0 HG22 VAL A 436 -1.451 2.694 -2.297 1.00 51.13 H new ATOM 0 HG23 VAL A 436 -2.327 3.986 -1.443 1.00 51.13 H new ATOM 665 N PHE A 437 0.059 4.079 2.517 1.00 44.30 N ATOM 666 CA PHE A 437 -0.383 5.005 3.533 1.00 10.21 C ATOM 667 C PHE A 437 -0.263 6.442 3.004 1.00 52.20 C ATOM 668 O PHE A 437 0.820 7.037 2.944 1.00 33.22 O ATOM 669 CB PHE A 437 0.299 4.813 4.923 1.00 64.22 C ATOM 670 CG PHE A 437 1.806 4.948 5.041 1.00 1.13 C ATOM 671 CD1 PHE A 437 2.672 4.001 4.498 1.00 31.13 C ATOM 672 CD2 PHE A 437 2.351 5.993 5.771 1.00 24.10 C ATOM 673 CE1 PHE A 437 4.037 4.117 4.669 1.00 74.22 C ATOM 674 CE2 PHE A 437 3.711 6.102 5.952 1.00 23.51 C ATOM 675 CZ PHE A 437 4.556 5.166 5.402 1.00 21.23 C ATOM 0 H PHE A 437 1.011 3.725 2.613 1.00 44.30 H new ATOM 0 HA PHE A 437 -1.432 4.786 3.734 1.00 10.21 H new ATOM 0 HB2 PHE A 437 -0.148 5.533 5.608 1.00 64.22 H new ATOM 0 HB3 PHE A 437 0.031 3.820 5.284 1.00 64.22 H new ATOM 0 HD1 PHE A 437 2.272 3.169 3.938 1.00 31.13 H new ATOM 0 HD2 PHE A 437 1.697 6.735 6.205 1.00 24.10 H new ATOM 0 HE1 PHE A 437 4.700 3.387 4.229 1.00 74.22 H new ATOM 0 HE2 PHE A 437 4.115 6.923 6.526 1.00 23.51 H new ATOM 0 HZ PHE A 437 5.623 5.251 5.543 1.00 21.23 H new ATOM 846 N PHE A 448 6.303 5.859 0.465 1.00 51.54 N ATOM 847 CA PHE A 448 6.756 4.620 1.118 1.00 11.23 C ATOM 848 C PHE A 448 5.684 3.489 0.949 1.00 65.24 C ATOM 849 O PHE A 448 4.499 3.708 1.230 1.00 0.31 O ATOM 850 CB PHE A 448 7.117 4.948 2.602 1.00 13.55 C ATOM 851 CG PHE A 448 8.303 4.168 3.143 1.00 71.12 C ATOM 852 CD1 PHE A 448 8.159 2.880 3.662 1.00 62.21 C ATOM 853 CD2 PHE A 448 9.591 4.719 3.095 1.00 42.11 C ATOM 854 CE1 PHE A 448 9.257 2.176 4.114 1.00 61.14 C ATOM 855 CE2 PHE A 448 10.682 4.004 3.537 1.00 55.10 C ATOM 856 CZ PHE A 448 10.518 2.734 4.047 1.00 25.45 C ATOM 0 HA PHE A 448 7.657 4.229 0.646 1.00 11.23 H new ATOM 0 HB2 PHE A 448 7.329 6.014 2.685 1.00 13.55 H new ATOM 0 HB3 PHE A 448 6.248 4.746 3.228 1.00 13.55 H new ATOM 0 HD1 PHE A 448 7.179 2.430 3.710 1.00 62.21 H new ATOM 0 HD2 PHE A 448 9.730 5.717 2.706 1.00 42.11 H new ATOM 0 HE1 PHE A 448 9.129 1.184 4.522 1.00 61.14 H new ATOM 0 HE2 PHE A 448 11.669 4.440 3.484 1.00 55.10 H new ATOM 0 HZ PHE A 448 11.375 2.176 4.394 1.00 25.45 H new ATOM 866 N GLY A 449 6.114 2.300 0.445 1.00 30.20 N ATOM 867 CA GLY A 449 5.171 1.167 0.126 1.00 31.35 C ATOM 868 C GLY A 449 5.613 -0.200 0.711 1.00 13.45 C ATOM 869 O GLY A 449 6.626 -0.236 1.366 1.00 12.41 O ATOM 0 H GLY A 449 7.093 2.092 0.249 1.00 30.20 H new ATOM 0 HA2 GLY A 449 4.181 1.412 0.509 1.00 31.35 H new ATOM 0 HA3 GLY A 449 5.080 1.076 -0.956 1.00 31.35 H new ATOM 873 N PHE A 450 4.835 -1.329 0.510 1.00 63.10 N ATOM 874 CA PHE A 450 5.330 -2.731 0.871 1.00 75.43 C ATOM 875 C PHE A 450 4.630 -3.789 -0.059 1.00 22.23 C ATOM 876 O PHE A 450 3.494 -3.499 -0.457 1.00 22.12 O ATOM 877 CB PHE A 450 5.127 -3.049 2.419 1.00 12.41 C ATOM 878 CG PHE A 450 3.793 -3.663 2.860 1.00 73.41 C ATOM 879 CD1 PHE A 450 3.517 -5.024 2.686 1.00 52.03 C ATOM 880 CD2 PHE A 450 2.824 -2.884 3.480 1.00 72.32 C ATOM 881 CE1 PHE A 450 2.316 -5.565 3.094 1.00 4.14 C ATOM 882 CE2 PHE A 450 1.628 -3.427 3.887 1.00 3.32 C ATOM 883 CZ PHE A 450 1.371 -4.762 3.689 1.00 13.15 C ATOM 0 H PHE A 450 3.895 -1.306 0.115 1.00 63.10 H new ATOM 0 HA PHE A 450 6.405 -2.784 0.698 1.00 75.43 H new ATOM 0 HB2 PHE A 450 5.924 -3.725 2.728 1.00 12.41 H new ATOM 0 HB3 PHE A 450 5.265 -2.120 2.972 1.00 12.41 H new ATOM 0 HD1 PHE A 450 4.257 -5.661 2.225 1.00 52.03 H new ATOM 0 HD2 PHE A 450 3.013 -1.834 3.645 1.00 72.32 H new ATOM 0 HE1 PHE A 450 2.118 -6.616 2.947 1.00 4.14 H new ATOM 0 HE2 PHE A 450 0.888 -2.802 4.364 1.00 3.32 H new ATOM 0 HZ PHE A 450 0.426 -5.181 4.001 1.00 13.15 H new ATOM 893 N VAL A 451 5.235 -5.005 -0.430 1.00 11.32 N ATOM 894 CA VAL A 451 4.403 -5.993 -1.232 1.00 14.42 C ATOM 895 C VAL A 451 4.921 -7.466 -1.162 1.00 63.21 C ATOM 896 O VAL A 451 6.133 -7.690 -1.051 1.00 3.22 O ATOM 897 CB VAL A 451 4.129 -5.448 -2.728 1.00 54.33 C ATOM 898 CG1 VAL A 451 5.390 -5.244 -3.514 1.00 22.43 C ATOM 899 CG2 VAL A 451 3.203 -6.294 -3.603 1.00 50.02 C ATOM 0 H VAL A 451 6.189 -5.291 -0.210 1.00 11.32 H new ATOM 0 HA VAL A 451 3.429 -6.054 -0.746 1.00 14.42 H new ATOM 0 HB VAL A 451 3.624 -4.506 -2.515 1.00 54.33 H new ATOM 0 HG11 VAL A 451 5.143 -4.877 -4.510 1.00 22.43 H new ATOM 0 HG12 VAL A 451 6.022 -4.516 -3.006 1.00 22.43 H new ATOM 0 HG13 VAL A 451 5.924 -6.191 -3.598 1.00 22.43 H new ATOM 0 HG21 VAL A 451 3.098 -5.825 -4.581 1.00 50.02 H new ATOM 0 HG22 VAL A 451 3.626 -7.291 -3.722 1.00 50.02 H new ATOM 0 HG23 VAL A 451 2.224 -6.370 -3.130 1.00 50.02 H new ATOM 909 N SER A 452 3.971 -8.472 -1.219 1.00 75.13 N ATOM 910 CA SER A 452 4.229 -9.887 -0.928 1.00 23.04 C ATOM 911 C SER A 452 4.362 -10.686 -2.263 1.00 15.44 C ATOM 912 O SER A 452 3.403 -10.691 -3.037 1.00 13.31 O ATOM 913 CB SER A 452 2.995 -10.372 -0.082 1.00 41.51 C ATOM 914 OG SER A 452 3.254 -11.608 0.562 1.00 73.13 O ATOM 0 H SER A 452 3.000 -8.291 -1.475 1.00 75.13 H new ATOM 0 HA SER A 452 5.159 -10.040 -0.380 1.00 23.04 H new ATOM 0 HB2 SER A 452 2.747 -9.618 0.665 1.00 41.51 H new ATOM 0 HB3 SER A 452 2.126 -10.475 -0.732 1.00 41.51 H new ATOM 0 HG SER A 452 2.467 -11.878 1.080 1.00 73.13 H new ATOM 920 N TYR A 453 5.549 -11.330 -2.562 1.00 70.15 N ATOM 921 CA TYR A 453 5.759 -12.023 -3.871 1.00 75.45 C ATOM 922 C TYR A 453 6.284 -13.476 -3.616 1.00 2.23 C ATOM 923 O TYR A 453 7.171 -13.588 -2.768 1.00 70.40 O ATOM 924 CB TYR A 453 6.786 -11.089 -4.612 1.00 64.30 C ATOM 925 CG TYR A 453 6.697 -10.816 -6.110 1.00 60.22 C ATOM 926 CD1 TYR A 453 5.519 -10.389 -6.769 1.00 71.31 C ATOM 927 CD2 TYR A 453 7.869 -10.840 -6.851 1.00 14.11 C ATOM 928 CE1 TYR A 453 5.559 -10.019 -8.110 1.00 54.00 C ATOM 929 CE2 TYR A 453 7.900 -10.437 -8.167 1.00 72.20 C ATOM 930 CZ TYR A 453 6.737 -10.031 -8.773 1.00 74.23 C ATOM 931 OH TYR A 453 6.755 -9.581 -10.048 1.00 10.13 O ATOM 0 H TYR A 453 6.346 -11.378 -1.928 1.00 70.15 H new ATOM 0 HA TYR A 453 4.860 -12.160 -4.472 1.00 75.45 H new ATOM 0 HB2 TYR A 453 6.746 -10.121 -4.113 1.00 64.30 H new ATOM 0 HB3 TYR A 453 7.777 -11.503 -4.426 1.00 64.30 H new ATOM 0 HD1 TYR A 453 4.585 -10.350 -6.228 1.00 71.31 H new ATOM 0 HD2 TYR A 453 8.780 -11.183 -6.384 1.00 14.11 H new ATOM 0 HE1 TYR A 453 4.653 -9.724 -8.619 1.00 54.00 H new ATOM 0 HE2 TYR A 453 8.830 -10.440 -8.717 1.00 72.20 H new ATOM 0 HH TYR A 453 7.681 -9.418 -10.324 1.00 10.13 H new ATOM 941 N ASP A 454 5.718 -14.571 -4.320 1.00 41.34 N ATOM 942 CA ASP A 454 5.939 -16.036 -3.966 1.00 42.23 C ATOM 943 C ASP A 454 7.278 -16.417 -3.287 1.00 31.45 C ATOM 944 O ASP A 454 7.319 -16.605 -2.068 1.00 51.31 O ATOM 945 CB ASP A 454 5.786 -16.965 -5.195 1.00 42.35 C ATOM 946 CG ASP A 454 4.493 -16.776 -5.950 1.00 11.54 C ATOM 947 OD1 ASP A 454 3.419 -17.069 -5.387 1.00 64.23 O ATOM 948 OD2 ASP A 454 4.550 -16.312 -7.113 1.00 5.24 O ATOM 0 H ASP A 454 5.111 -14.445 -5.130 1.00 41.34 H new ATOM 0 HA ASP A 454 5.155 -16.182 -3.223 1.00 42.23 H new ATOM 0 HB2 ASP A 454 6.620 -16.792 -5.875 1.00 42.35 H new ATOM 0 HB3 ASP A 454 5.854 -18.002 -4.865 1.00 42.35 H new ATOM 953 N ASN A 455 8.353 -16.540 -4.075 1.00 51.04 N ATOM 954 CA ASN A 455 9.597 -17.182 -3.623 1.00 3.31 C ATOM 955 C ASN A 455 10.785 -16.606 -4.405 1.00 14.54 C ATOM 956 O ASN A 455 10.624 -16.337 -5.594 1.00 11.23 O ATOM 957 CB ASN A 455 9.465 -18.718 -3.854 1.00 50.24 C ATOM 958 CG ASN A 455 10.207 -19.637 -2.874 1.00 1.22 C ATOM 959 OD1 ASN A 455 11.271 -19.323 -2.361 1.00 51.25 O ATOM 960 ND2 ASN A 455 9.615 -20.812 -2.616 1.00 2.23 N ATOM 0 H ASN A 455 8.387 -16.201 -5.036 1.00 51.04 H new ATOM 0 HA ASN A 455 9.768 -16.991 -2.564 1.00 3.31 H new ATOM 0 HB2 ASN A 455 8.406 -18.975 -3.824 1.00 50.24 H new ATOM 0 HB3 ASN A 455 9.819 -18.941 -4.861 1.00 50.24 H new ATOM 0 HD21 ASN A 455 10.053 -21.474 -1.975 1.00 2.23 H new ATOM 0 HD22 ASN A 455 8.727 -21.044 -3.061 1.00 2.23 H new ATOM 967 N PRO A 456 11.937 -16.308 -3.709 1.00 11.40 N ATOM 968 CA PRO A 456 13.238 -15.805 -4.251 1.00 3.25 C ATOM 969 C PRO A 456 13.738 -16.092 -5.729 1.00 50.13 C ATOM 970 O PRO A 456 14.778 -15.557 -6.093 1.00 15.52 O ATOM 971 CB PRO A 456 14.276 -16.243 -3.196 1.00 31.14 C ATOM 972 CG PRO A 456 13.518 -16.463 -1.933 1.00 31.44 C ATOM 973 CD PRO A 456 12.050 -16.271 -2.218 1.00 63.20 C ATOM 0 HA PRO A 456 13.080 -14.737 -4.403 1.00 3.25 H new ATOM 0 HB2 PRO A 456 14.787 -17.154 -3.507 1.00 31.14 H new ATOM 0 HB3 PRO A 456 15.041 -15.479 -3.062 1.00 31.14 H new ATOM 0 HG2 PRO A 456 13.702 -17.467 -1.551 1.00 31.44 H new ATOM 0 HG3 PRO A 456 13.850 -15.764 -1.165 1.00 31.44 H new ATOM 0 HD2 PRO A 456 11.452 -17.058 -1.757 1.00 63.20 H new ATOM 0 HD3 PRO A 456 11.691 -15.323 -1.818 1.00 63.20 H new ATOM 981 N VAL A 457 13.096 -16.916 -6.586 1.00 31.14 N ATOM 982 CA VAL A 457 13.555 -16.992 -7.985 1.00 50.22 C ATOM 983 C VAL A 457 12.984 -15.753 -8.770 1.00 22.42 C ATOM 984 O VAL A 457 13.496 -15.401 -9.836 1.00 50.33 O ATOM 985 CB VAL A 457 13.352 -18.393 -8.751 1.00 21.31 C ATOM 986 CG1 VAL A 457 14.019 -19.566 -8.013 1.00 71.24 C ATOM 987 CG2 VAL A 457 11.901 -18.745 -9.079 1.00 65.34 C ATOM 0 H VAL A 457 12.300 -17.508 -6.350 1.00 31.14 H new ATOM 0 HA VAL A 457 14.644 -16.949 -7.950 1.00 50.22 H new ATOM 0 HB VAL A 457 13.854 -18.235 -9.706 1.00 21.31 H new ATOM 0 HG11 VAL A 457 13.853 -20.488 -8.570 1.00 71.24 H new ATOM 0 HG12 VAL A 457 15.090 -19.381 -7.928 1.00 71.24 H new ATOM 0 HG13 VAL A 457 13.587 -19.662 -7.017 1.00 71.24 H new ATOM 0 HG21 VAL A 457 11.867 -19.705 -9.594 1.00 65.34 H new ATOM 0 HG22 VAL A 457 11.324 -18.807 -8.156 1.00 65.34 H new ATOM 0 HG23 VAL A 457 11.476 -17.974 -9.721 1.00 65.34 H new ATOM 997 N SER A 458 11.934 -15.057 -8.209 1.00 11.21 N ATOM 998 CA SER A 458 11.562 -13.693 -8.648 1.00 4.34 C ATOM 999 C SER A 458 12.423 -12.560 -7.936 1.00 0.43 C ATOM 1000 O SER A 458 12.333 -11.411 -8.377 1.00 24.02 O ATOM 1001 CB SER A 458 10.013 -13.435 -8.507 1.00 53.30 C ATOM 1002 OG SER A 458 9.563 -13.709 -7.193 1.00 51.10 O ATOM 0 H SER A 458 11.347 -15.428 -7.462 1.00 11.21 H new ATOM 0 HA SER A 458 11.804 -13.635 -9.709 1.00 4.34 H new ATOM 0 HB2 SER A 458 9.790 -12.399 -8.761 1.00 53.30 H new ATOM 0 HB3 SER A 458 9.472 -14.061 -9.217 1.00 53.30 H new ATOM 0 HG SER A 458 8.966 -12.991 -6.895 1.00 51.10 H new ATOM 1008 N ALA A 459 13.242 -12.874 -6.834 1.00 44.41 N ATOM 1009 CA ALA A 459 14.076 -11.872 -6.069 1.00 22.22 C ATOM 1010 C ALA A 459 14.858 -10.850 -6.896 1.00 51.25 C ATOM 1011 O ALA A 459 14.654 -9.648 -6.746 1.00 2.30 O ATOM 1012 CB ALA A 459 15.131 -12.581 -5.219 1.00 61.15 C ATOM 0 H ALA A 459 13.328 -13.823 -6.471 1.00 44.41 H new ATOM 0 HA ALA A 459 13.318 -11.337 -5.496 1.00 22.22 H new ATOM 0 HB1 ALA A 459 15.719 -11.841 -4.677 1.00 61.15 H new ATOM 0 HB2 ALA A 459 14.639 -13.245 -4.508 1.00 61.15 H new ATOM 0 HB3 ALA A 459 15.787 -13.164 -5.865 1.00 61.15 H new ATOM 1018 N GLN A 460 15.773 -11.309 -7.735 1.00 32.40 N ATOM 1019 CA GLN A 460 16.681 -10.394 -8.406 1.00 4.11 C ATOM 1020 C GLN A 460 16.134 -9.847 -9.755 1.00 3.02 C ATOM 1021 O GLN A 460 16.578 -8.780 -10.186 1.00 13.40 O ATOM 1022 CB GLN A 460 18.099 -10.982 -8.539 1.00 41.31 C ATOM 1023 CG GLN A 460 19.195 -10.003 -8.056 1.00 21.23 C ATOM 1024 CD GLN A 460 19.252 -9.907 -6.538 1.00 52.12 C ATOM 1025 OE1 GLN A 460 18.547 -9.109 -5.918 1.00 24.53 O ATOM 1026 NE2 GLN A 460 20.124 -10.696 -5.932 1.00 45.52 N ATOM 0 H GLN A 460 15.906 -12.294 -7.965 1.00 32.40 H new ATOM 0 HA GLN A 460 16.755 -9.522 -7.756 1.00 4.11 H new ATOM 0 HB2 GLN A 460 18.161 -11.905 -7.963 1.00 41.31 H new ATOM 0 HB3 GLN A 460 18.284 -11.244 -9.581 1.00 41.31 H new ATOM 0 HG2 GLN A 460 20.164 -10.330 -8.434 1.00 21.23 H new ATOM 0 HG3 GLN A 460 19.006 -9.014 -8.474 1.00 21.23 H new ATOM 0 HE21 GLN A 460 20.691 -11.344 -6.478 1.00 45.52 H new ATOM 0 HE22 GLN A 460 20.230 -10.656 -4.918 1.00 45.52 H new ATOM 1035 N ALA A 461 15.166 -10.551 -10.422 1.00 61.41 N ATOM 1036 CA ALA A 461 14.756 -10.163 -11.780 1.00 64.34 C ATOM 1037 C ALA A 461 13.948 -8.769 -11.868 1.00 61.43 C ATOM 1038 O ALA A 461 14.181 -8.023 -12.821 1.00 12.32 O ATOM 1039 CB ALA A 461 14.135 -11.397 -12.531 1.00 71.04 C ATOM 0 H ALA A 461 14.678 -11.362 -10.042 1.00 61.41 H new ATOM 0 HA ALA A 461 15.648 -9.896 -12.346 1.00 64.34 H new ATOM 0 HB1 ALA A 461 13.835 -11.098 -13.535 1.00 71.04 H new ATOM 0 HB2 ALA A 461 14.876 -12.194 -12.596 1.00 71.04 H new ATOM 0 HB3 ALA A 461 13.263 -11.755 -11.983 1.00 71.04 H new ATOM 1045 N ALA A 462 13.044 -8.356 -10.890 1.00 12.33 N ATOM 1046 CA ALA A 462 12.467 -6.943 -10.896 1.00 65.41 C ATOM 1047 C ALA A 462 13.335 -5.877 -10.134 1.00 14.11 C ATOM 1048 O ALA A 462 13.492 -4.768 -10.646 1.00 33.42 O ATOM 1049 CB ALA A 462 11.038 -6.998 -10.378 1.00 23.34 C ATOM 0 H ALA A 462 12.715 -8.947 -10.127 1.00 12.33 H new ATOM 0 HA ALA A 462 12.478 -6.590 -11.927 1.00 65.41 H new ATOM 0 HB1 ALA A 462 10.613 -5.994 -10.377 1.00 23.34 H new ATOM 0 HB2 ALA A 462 10.442 -7.644 -11.023 1.00 23.34 H new ATOM 0 HB3 ALA A 462 11.034 -7.395 -9.363 1.00 23.34 H new ATOM 1055 N ILE A 463 13.840 -6.212 -8.914 1.00 13.13 N ATOM 1056 CA ILE A 463 14.762 -5.349 -8.071 1.00 71.44 C ATOM 1057 C ILE A 463 15.867 -4.514 -8.893 1.00 64.00 C ATOM 1058 O ILE A 463 16.065 -3.344 -8.558 1.00 70.24 O ATOM 1059 CB ILE A 463 15.368 -6.129 -6.739 1.00 34.53 C ATOM 1060 CG1 ILE A 463 14.306 -6.335 -5.584 1.00 73.50 C ATOM 1061 CG2 ILE A 463 16.579 -5.427 -6.049 1.00 53.21 C ATOM 1062 CD1 ILE A 463 12.886 -6.793 -5.930 1.00 63.42 C ATOM 0 H ILE A 463 13.623 -7.103 -8.467 1.00 13.13 H new ATOM 0 HA ILE A 463 14.101 -4.575 -7.681 1.00 71.44 H new ATOM 0 HB ILE A 463 15.680 -7.075 -7.181 1.00 34.53 H new ATOM 0 HG12 ILE A 463 14.721 -7.062 -4.886 1.00 73.50 H new ATOM 0 HG13 ILE A 463 14.221 -5.390 -5.047 1.00 73.50 H new ATOM 0 HG21 ILE A 463 16.900 -6.016 -5.190 1.00 53.21 H new ATOM 0 HG22 ILE A 463 17.402 -5.341 -6.758 1.00 53.21 H new ATOM 0 HG23 ILE A 463 16.282 -4.433 -5.716 1.00 53.21 H new ATOM 0 HD11 ILE A 463 12.299 -6.880 -5.016 1.00 63.42 H new ATOM 0 HD12 ILE A 463 12.420 -6.064 -6.592 1.00 63.42 H new ATOM 0 HD13 ILE A 463 12.927 -7.761 -6.428 1.00 63.42 H new ATOM 1074 N GLN A 464 16.554 -5.047 -9.977 1.00 72.31 N ATOM 1075 CA GLN A 464 17.469 -4.211 -10.824 1.00 63.52 C ATOM 1076 C GLN A 464 16.827 -3.538 -12.125 1.00 43.14 C ATOM 1077 O GLN A 464 17.252 -2.423 -12.454 1.00 43.13 O ATOM 1078 CB GLN A 464 18.832 -4.953 -11.117 1.00 41.31 C ATOM 1079 CG GLN A 464 19.715 -5.178 -9.876 1.00 21.45 C ATOM 1080 CD GLN A 464 20.753 -6.268 -10.108 1.00 41.34 C ATOM 1081 OE1 GLN A 464 21.211 -6.488 -11.227 1.00 73.21 O ATOM 1082 NE2 GLN A 464 21.123 -6.973 -9.046 1.00 54.41 N ATOM 0 H GLN A 464 16.487 -6.022 -10.268 1.00 72.31 H new ATOM 0 HA GLN A 464 17.681 -3.342 -10.201 1.00 63.52 H new ATOM 0 HB2 GLN A 464 18.615 -5.919 -11.573 1.00 41.31 H new ATOM 0 HB3 GLN A 464 19.396 -4.375 -11.849 1.00 41.31 H new ATOM 0 HG2 GLN A 464 20.218 -4.247 -9.615 1.00 21.45 H new ATOM 0 HG3 GLN A 464 19.087 -5.450 -9.028 1.00 21.45 H new ATOM 0 HE21 GLN A 464 20.723 -6.765 -8.131 1.00 54.41 H new ATOM 0 HE22 GLN A 464 21.807 -7.723 -9.145 1.00 54.41 H new ATOM 1091 N ALA A 465 15.829 -4.148 -12.890 1.00 23.31 N ATOM 1092 CA ALA A 465 15.159 -3.409 -14.045 1.00 32.43 C ATOM 1093 C ALA A 465 14.241 -2.190 -13.598 1.00 0.33 C ATOM 1094 O ALA A 465 13.667 -1.512 -14.450 1.00 65.15 O ATOM 1095 CB ALA A 465 14.482 -4.343 -15.144 1.00 42.31 C ATOM 0 H ALA A 465 15.488 -5.097 -12.737 1.00 23.31 H new ATOM 0 HA ALA A 465 16.002 -2.954 -14.566 1.00 32.43 H new ATOM 0 HB1 ALA A 465 14.034 -3.724 -15.921 1.00 42.31 H new ATOM 0 HB2 ALA A 465 15.238 -4.991 -15.587 1.00 42.31 H new ATOM 0 HB3 ALA A 465 13.710 -4.954 -14.677 1.00 42.31 H new ATOM 1101 N MET A 466 14.121 -1.922 -12.270 1.00 22.11 N ATOM 1102 CA MET A 466 13.335 -0.759 -11.700 1.00 15.54 C ATOM 1103 C MET A 466 14.226 0.231 -10.925 1.00 32.25 C ATOM 1104 O MET A 466 13.720 1.167 -10.295 1.00 75.15 O ATOM 1105 CB MET A 466 12.235 -1.214 -10.723 1.00 70.50 C ATOM 1106 CG MET A 466 10.828 -1.274 -11.313 1.00 14.45 C ATOM 1107 SD MET A 466 10.640 -2.440 -12.679 1.00 43.23 S ATOM 1108 CE MET A 466 10.174 -1.316 -13.994 1.00 1.31 C ATOM 0 H MET A 466 14.561 -2.498 -11.552 1.00 22.11 H new ATOM 0 HA MET A 466 12.896 -0.276 -12.573 1.00 15.54 H new ATOM 0 HB2 MET A 466 12.495 -2.202 -10.342 1.00 70.50 H new ATOM 0 HB3 MET A 466 12.226 -0.536 -9.870 1.00 70.50 H new ATOM 0 HG2 MET A 466 10.127 -1.543 -10.523 1.00 14.45 H new ATOM 0 HG3 MET A 466 10.550 -0.279 -11.660 1.00 14.45 H new ATOM 0 HE1 MET A 466 10.019 -1.878 -14.915 1.00 1.31 H new ATOM 0 HE2 MET A 466 9.252 -0.801 -13.723 1.00 1.31 H new ATOM 0 HE3 MET A 466 10.967 -0.584 -14.145 1.00 1.31 H new ATOM 1118 N ASN A 467 15.542 0.040 -10.995 1.00 24.42 N ATOM 1119 CA ASN A 467 16.504 0.815 -10.195 1.00 45.42 C ATOM 1120 C ASN A 467 16.799 2.187 -10.871 1.00 64.44 C ATOM 1121 O ASN A 467 17.483 2.183 -11.895 1.00 51.13 O ATOM 1122 CB ASN A 467 17.798 -0.019 -10.023 1.00 73.44 C ATOM 1123 CG ASN A 467 18.645 0.516 -8.869 1.00 53.45 C ATOM 1124 OD1 ASN A 467 18.113 1.073 -7.901 1.00 44.13 O ATOM 1125 ND2 ASN A 467 19.958 0.359 -8.954 1.00 50.32 N ATOM 0 H ASN A 467 15.976 -0.653 -11.604 1.00 24.42 H new ATOM 0 HA ASN A 467 16.083 1.024 -9.212 1.00 45.42 H new ATOM 0 HB2 ASN A 467 17.541 -1.062 -9.837 1.00 73.44 H new ATOM 0 HB3 ASN A 467 18.377 0.007 -10.946 1.00 73.44 H new ATOM 0 HD21 ASN A 467 20.562 0.702 -8.207 1.00 50.32 H new ATOM 0 HD22 ASN A 467 20.365 -0.105 -9.766 1.00 50.32 H new ATOM 1132 N GLY A 468 16.274 3.377 -10.365 1.00 30.42 N ATOM 1133 CA GLY A 468 16.750 4.642 -10.955 1.00 51.23 C ATOM 1134 C GLY A 468 15.971 5.178 -12.175 1.00 62.52 C ATOM 1135 O GLY A 468 16.509 5.993 -12.927 1.00 44.22 O ATOM 0 H GLY A 468 15.585 3.458 -9.618 1.00 30.42 H new ATOM 0 HA2 GLY A 468 16.733 5.407 -10.178 1.00 51.23 H new ATOM 0 HA3 GLY A 468 17.791 4.509 -11.249 1.00 51.23 H new ATOM 1139 N PHE A 469 14.733 4.736 -12.380 1.00 24.04 N ATOM 1140 CA PHE A 469 14.023 4.954 -13.650 1.00 22.22 C ATOM 1141 C PHE A 469 13.039 6.148 -13.451 1.00 11.22 C ATOM 1142 O PHE A 469 12.139 6.031 -12.615 1.00 35.12 O ATOM 1143 CB PHE A 469 13.326 3.590 -14.075 1.00 73.12 C ATOM 1144 CG PHE A 469 12.600 3.562 -15.415 1.00 12.25 C ATOM 1145 CD1 PHE A 469 11.256 3.907 -15.508 1.00 53.44 C ATOM 1146 CD2 PHE A 469 13.248 3.140 -16.577 1.00 62.35 C ATOM 1147 CE1 PHE A 469 10.584 3.853 -16.700 1.00 64.22 C ATOM 1148 CE2 PHE A 469 12.569 3.079 -17.778 1.00 31.33 C ATOM 1149 CZ PHE A 469 11.234 3.433 -17.841 1.00 10.42 C ATOM 0 H PHE A 469 14.194 4.222 -11.683 1.00 24.04 H new ATOM 0 HA PHE A 469 14.688 5.227 -14.470 1.00 22.22 H new ATOM 0 HB2 PHE A 469 14.089 2.812 -14.089 1.00 73.12 H new ATOM 0 HB3 PHE A 469 12.610 3.321 -13.298 1.00 73.12 H new ATOM 0 HD1 PHE A 469 10.730 4.225 -14.620 1.00 53.44 H new ATOM 0 HD2 PHE A 469 14.290 2.859 -16.537 1.00 62.35 H new ATOM 0 HE1 PHE A 469 9.544 4.140 -16.746 1.00 64.22 H new ATOM 0 HE2 PHE A 469 13.082 2.754 -18.671 1.00 31.33 H new ATOM 0 HZ PHE A 469 10.703 3.381 -18.780 1.00 10.42 H new ATOM 1159 N GLN A 470 13.225 7.321 -14.152 1.00 53.30 N ATOM 1160 CA GLN A 470 12.342 8.490 -13.918 1.00 11.15 C ATOM 1161 C GLN A 470 10.919 8.277 -14.468 1.00 15.04 C ATOM 1162 O GLN A 470 10.740 7.786 -15.584 1.00 54.43 O ATOM 1163 CB GLN A 470 12.950 9.758 -14.545 1.00 2.02 C ATOM 1164 CG GLN A 470 13.731 10.636 -13.563 1.00 23.34 C ATOM 1165 CD GLN A 470 12.883 11.732 -12.901 1.00 31.44 C ATOM 1166 OE1 GLN A 470 11.572 11.527 -12.804 1.00 33.11 O flip ATOM 1167 NE2 GLN A 470 13.412 12.766 -12.498 1.00 71.52 N flip ATOM 0 H GLN A 470 13.952 7.466 -14.853 1.00 53.30 H new ATOM 0 HA GLN A 470 12.264 8.610 -12.837 1.00 11.15 H new ATOM 0 HB2 GLN A 470 13.614 9.464 -15.358 1.00 2.02 H new ATOM 0 HB3 GLN A 470 12.149 10.351 -14.986 1.00 2.02 H new ATOM 0 HG2 GLN A 470 14.160 10.003 -12.786 1.00 23.34 H new ATOM 0 HG3 GLN A 470 14.563 11.102 -14.090 1.00 23.34 H new ATOM 0 HE21 GLN A 470 14.420 12.891 -12.588 1.00 71.52 H new ATOM 0 HE22 GLN A 470 12.843 13.498 -12.074 1.00 71.52 H new ATOM 1176 N ILE A 471 9.913 8.688 -13.667 1.00 4.03 N ATOM 1177 CA ILE A 471 8.490 8.388 -13.934 1.00 12.31 C ATOM 1178 C ILE A 471 7.649 9.643 -13.475 1.00 42.12 C ATOM 1179 O ILE A 471 7.279 9.724 -12.295 1.00 70.24 O ATOM 1180 CB ILE A 471 8.014 7.031 -13.158 1.00 14.20 C ATOM 1181 CG1 ILE A 471 8.792 5.765 -13.660 1.00 43.20 C ATOM 1182 CG2 ILE A 471 6.493 6.759 -13.246 1.00 53.44 C ATOM 1183 CD1 ILE A 471 8.423 4.428 -12.991 1.00 33.21 C ATOM 0 H ILE A 471 10.064 9.235 -12.820 1.00 4.03 H new ATOM 0 HA ILE A 471 8.335 8.200 -14.996 1.00 12.31 H new ATOM 0 HB ILE A 471 8.254 7.218 -12.111 1.00 14.20 H new ATOM 0 HG12 ILE A 471 8.630 5.667 -14.733 1.00 43.20 H new ATOM 0 HG13 ILE A 471 9.858 5.938 -13.514 1.00 43.20 H new ATOM 0 HG21 ILE A 471 6.256 5.842 -12.707 1.00 53.44 H new ATOM 0 HG22 ILE A 471 5.948 7.592 -12.802 1.00 53.44 H new ATOM 0 HG23 ILE A 471 6.203 6.651 -14.291 1.00 53.44 H new ATOM 0 HD11 ILE A 471 9.026 3.628 -13.420 1.00 33.21 H new ATOM 0 HD12 ILE A 471 8.615 4.492 -11.920 1.00 33.21 H new ATOM 0 HD13 ILE A 471 7.367 4.216 -13.159 1.00 33.21 H new ATOM 1195 N GLY A 472 7.386 10.671 -14.369 1.00 22.32 N ATOM 1196 CA GLY A 472 6.597 11.843 -13.940 1.00 44.40 C ATOM 1197 C GLY A 472 7.452 12.841 -13.172 1.00 33.11 C ATOM 1198 O GLY A 472 8.628 13.037 -13.491 1.00 53.12 O ATOM 0 H GLY A 472 7.702 10.693 -15.339 1.00 22.32 H new ATOM 0 HA2 GLY A 472 6.163 12.330 -14.813 1.00 44.40 H new ATOM 0 HA3 GLY A 472 5.768 11.515 -13.313 1.00 44.40 H new ATOM 1202 N MET A 473 6.864 13.462 -12.144 1.00 44.11 N ATOM 1203 CA MET A 473 7.616 14.382 -11.257 1.00 10.13 C ATOM 1204 C MET A 473 8.368 13.643 -10.115 1.00 42.32 C ATOM 1205 O MET A 473 8.886 14.294 -9.201 1.00 31.31 O ATOM 1206 CB MET A 473 6.710 15.503 -10.657 1.00 4.35 C ATOM 1207 CG MET A 473 5.406 15.017 -10.012 1.00 2.22 C ATOM 1208 SD MET A 473 5.077 15.767 -8.400 1.00 10.40 S ATOM 1209 CE MET A 473 4.717 17.463 -8.845 1.00 12.13 C ATOM 0 H MET A 473 5.880 13.352 -11.900 1.00 44.11 H new ATOM 0 HA MET A 473 8.362 14.849 -11.900 1.00 10.13 H new ATOM 0 HB2 MET A 473 7.284 16.050 -9.909 1.00 4.35 H new ATOM 0 HB3 MET A 473 6.463 16.210 -11.449 1.00 4.35 H new ATOM 0 HG2 MET A 473 4.575 15.236 -10.682 1.00 2.22 H new ATOM 0 HG3 MET A 473 5.448 13.934 -9.898 1.00 2.22 H new ATOM 0 HE1 MET A 473 4.497 18.036 -7.945 1.00 12.13 H new ATOM 0 HE2 MET A 473 5.580 17.898 -9.350 1.00 12.13 H new ATOM 0 HE3 MET A 473 3.855 17.489 -9.512 1.00 12.13 H new ATOM 1219 N LYS A 474 8.476 12.297 -10.174 1.00 73.11 N ATOM 1220 CA LYS A 474 9.161 11.533 -9.083 1.00 64.42 C ATOM 1221 C LYS A 474 10.133 10.478 -9.703 1.00 61.43 C ATOM 1222 O LYS A 474 9.819 9.921 -10.754 1.00 34.31 O ATOM 1223 CB LYS A 474 8.156 10.753 -8.131 1.00 65.11 C ATOM 1224 CG LYS A 474 6.838 11.413 -7.574 1.00 23.14 C ATOM 1225 CD LYS A 474 7.003 12.789 -6.856 1.00 52.00 C ATOM 1226 CE LYS A 474 5.881 13.051 -5.844 1.00 74.12 C ATOM 1227 NZ LYS A 474 5.942 14.439 -5.303 1.00 11.45 N ATOM 0 H LYS A 474 8.114 11.723 -10.935 1.00 73.11 H new ATOM 0 HA LYS A 474 9.691 12.276 -8.487 1.00 64.42 H new ATOM 0 HB2 LYS A 474 7.853 9.853 -8.667 1.00 65.11 H new ATOM 0 HB3 LYS A 474 8.733 10.429 -7.265 1.00 65.11 H new ATOM 0 HG2 LYS A 474 6.143 11.541 -8.404 1.00 23.14 H new ATOM 0 HG3 LYS A 474 6.375 10.716 -6.875 1.00 23.14 H new ATOM 0 HD2 LYS A 474 7.965 12.817 -6.345 1.00 52.00 H new ATOM 0 HD3 LYS A 474 7.013 13.586 -7.599 1.00 52.00 H new ATOM 0 HE2 LYS A 474 4.915 12.888 -6.321 1.00 74.12 H new ATOM 0 HE3 LYS A 474 5.956 12.337 -5.024 1.00 74.12 H new ATOM 0 HZ1 LYS A 474 5.258 14.539 -4.526 1.00 11.45 H new ATOM 0 HZ2 LYS A 474 6.900 14.631 -4.947 1.00 11.45 H new ATOM 0 HZ3 LYS A 474 5.711 15.116 -6.058 1.00 11.45 H new ATOM 1241 N ARG A 475 11.320 10.189 -9.074 1.00 12.21 N ATOM 1242 CA ARG A 475 12.187 9.091 -9.557 1.00 24.14 C ATOM 1243 C ARG A 475 11.920 7.796 -8.757 1.00 20.01 C ATOM 1244 O ARG A 475 11.695 7.845 -7.541 1.00 41.42 O ATOM 1245 CB ARG A 475 13.704 9.494 -9.498 1.00 33.42 C ATOM 1246 CG ARG A 475 14.348 9.656 -8.083 1.00 64.41 C ATOM 1247 CD ARG A 475 14.201 11.050 -7.420 1.00 11.23 C ATOM 1248 NE ARG A 475 15.376 11.896 -7.628 1.00 25.11 N ATOM 1249 CZ ARG A 475 16.276 12.197 -6.675 1.00 34.44 C ATOM 1250 NH1 ARG A 475 16.136 11.749 -5.428 1.00 44.54 N ATOM 1251 NH2 ARG A 475 17.310 12.969 -6.966 1.00 40.11 N ATOM 0 H ARG A 475 11.677 10.690 -8.260 1.00 12.21 H new ATOM 0 HA ARG A 475 11.941 8.901 -10.602 1.00 24.14 H new ATOM 0 HB2 ARG A 475 14.274 8.742 -10.044 1.00 33.42 H new ATOM 0 HB3 ARG A 475 13.824 10.436 -10.033 1.00 33.42 H new ATOM 0 HG2 ARG A 475 13.907 8.912 -7.419 1.00 64.41 H new ATOM 0 HG3 ARG A 475 15.410 9.424 -8.161 1.00 64.41 H new ATOM 0 HD2 ARG A 475 13.321 11.550 -7.825 1.00 11.23 H new ATOM 0 HD3 ARG A 475 14.033 10.924 -6.350 1.00 11.23 H new ATOM 0 HE ARG A 475 15.523 12.284 -8.560 1.00 25.11 H new ATOM 0 HH11 ARG A 475 15.335 11.167 -5.182 1.00 44.54 H new ATOM 0 HH12 ARG A 475 16.829 11.988 -4.719 1.00 44.54 H new ATOM 0 HH21 ARG A 475 17.423 13.335 -7.911 1.00 40.11 H new ATOM 0 HH22 ARG A 475 17.994 13.199 -6.245 1.00 40.11 H new ATOM 1265 N LEU A 476 11.951 6.636 -9.440 1.00 4.03 N ATOM 1266 CA LEU A 476 11.525 5.353 -8.807 1.00 74.52 C ATOM 1267 C LEU A 476 12.765 4.575 -8.271 1.00 5.00 C ATOM 1268 O LEU A 476 13.625 4.198 -9.064 1.00 53.15 O ATOM 1269 CB LEU A 476 10.728 4.498 -9.858 1.00 5.42 C ATOM 1270 CG LEU A 476 9.315 3.941 -9.465 1.00 52.43 C ATOM 1271 CD1 LEU A 476 9.383 2.987 -8.289 1.00 64.45 C ATOM 1272 CD2 LEU A 476 8.333 5.067 -9.177 1.00 34.43 C ATOM 0 H LEU A 476 12.258 6.550 -10.409 1.00 4.03 H new ATOM 0 HA LEU A 476 10.874 5.561 -7.958 1.00 74.52 H new ATOM 0 HB2 LEU A 476 10.605 5.107 -10.754 1.00 5.42 H new ATOM 0 HB3 LEU A 476 11.353 3.648 -10.134 1.00 5.42 H new ATOM 0 HG LEU A 476 8.953 3.380 -10.326 1.00 52.43 H new ATOM 0 HD11 LEU A 476 8.381 2.628 -8.054 1.00 64.45 H new ATOM 0 HD12 LEU A 476 10.022 2.141 -8.543 1.00 64.45 H new ATOM 0 HD13 LEU A 476 9.795 3.505 -7.423 1.00 64.45 H new ATOM 0 HD21 LEU A 476 7.365 4.645 -8.908 1.00 34.43 H new ATOM 0 HD22 LEU A 476 8.707 5.673 -8.352 1.00 34.43 H new ATOM 0 HD23 LEU A 476 8.223 5.690 -10.065 1.00 34.43 H new ATOM 1284 N LYS A 477 12.888 4.368 -6.920 1.00 12.45 N ATOM 1285 CA LYS A 477 14.108 3.680 -6.372 1.00 40.02 C ATOM 1286 C LYS A 477 13.763 2.471 -5.458 1.00 63.34 C ATOM 1287 O LYS A 477 12.972 2.625 -4.528 1.00 2.45 O ATOM 1288 CB LYS A 477 14.967 4.699 -5.609 1.00 63.43 C ATOM 1289 CG LYS A 477 16.452 4.721 -6.040 1.00 0.23 C ATOM 1290 CD LYS A 477 16.684 5.579 -7.291 1.00 11.02 C ATOM 1291 CE LYS A 477 16.859 7.060 -6.947 1.00 30.04 C ATOM 1292 NZ LYS A 477 18.100 7.310 -6.153 1.00 21.33 N ATOM 0 H LYS A 477 12.199 4.650 -6.223 1.00 12.45 H new ATOM 0 HA LYS A 477 14.664 3.277 -7.218 1.00 40.02 H new ATOM 0 HB2 LYS A 477 14.544 5.693 -5.751 1.00 63.43 H new ATOM 0 HB3 LYS A 477 14.912 4.478 -4.543 1.00 63.43 H new ATOM 0 HG2 LYS A 477 17.060 5.105 -5.221 1.00 0.23 H new ATOM 0 HG3 LYS A 477 16.787 3.702 -6.234 1.00 0.23 H new ATOM 0 HD2 LYS A 477 17.570 5.222 -7.816 1.00 11.02 H new ATOM 0 HD3 LYS A 477 15.841 5.462 -7.972 1.00 11.02 H new ATOM 0 HE2 LYS A 477 16.894 7.644 -7.867 1.00 30.04 H new ATOM 0 HE3 LYS A 477 15.993 7.406 -6.383 1.00 30.04 H new ATOM 0 HZ1 LYS A 477 18.383 8.306 -6.255 1.00 21.33 H new ATOM 0 HZ2 LYS A 477 17.918 7.103 -5.150 1.00 21.33 H new ATOM 0 HZ3 LYS A 477 18.864 6.696 -6.500 1.00 21.33 H new ATOM 1306 N VAL A 478 14.389 1.271 -5.702 1.00 42.51 N ATOM 1307 CA VAL A 478 13.844 -0.002 -5.188 1.00 53.03 C ATOM 1308 C VAL A 478 14.986 -0.978 -4.723 1.00 32.13 C ATOM 1309 O VAL A 478 16.014 -1.054 -5.396 1.00 14.03 O ATOM 1310 CB VAL A 478 12.914 -0.653 -6.285 1.00 2.11 C ATOM 1311 CG1 VAL A 478 12.791 -2.167 -6.104 1.00 14.24 C ATOM 1312 CG2 VAL A 478 11.498 -0.019 -6.304 1.00 63.44 C ATOM 0 H VAL A 478 15.250 1.176 -6.240 1.00 42.51 H new ATOM 0 HA VAL A 478 13.243 0.201 -4.301 1.00 53.03 H new ATOM 0 HB VAL A 478 13.396 -0.452 -7.241 1.00 2.11 H new ATOM 0 HG11 VAL A 478 12.142 -2.575 -6.879 1.00 14.24 H new ATOM 0 HG12 VAL A 478 13.778 -2.624 -6.179 1.00 14.24 H new ATOM 0 HG13 VAL A 478 12.365 -2.383 -5.124 1.00 14.24 H new ATOM 0 HG21 VAL A 478 10.895 -0.499 -7.074 1.00 63.44 H new ATOM 0 HG22 VAL A 478 11.024 -0.158 -5.332 1.00 63.44 H new ATOM 0 HG23 VAL A 478 11.579 1.047 -6.518 1.00 63.44 H new ATOM 1322 N GLN A 479 14.769 -1.738 -3.597 1.00 60.21 N ATOM 1323 CA GLN A 479 15.816 -2.610 -2.953 1.00 73.04 C ATOM 1324 C GLN A 479 15.215 -3.694 -2.023 1.00 5.32 C ATOM 1325 O GLN A 479 14.003 -3.699 -1.780 1.00 54.45 O ATOM 1326 CB GLN A 479 16.909 -1.806 -2.216 1.00 52.41 C ATOM 1327 CG GLN A 479 18.162 -1.573 -3.053 1.00 31.41 C ATOM 1328 CD GLN A 479 19.142 -0.613 -2.418 1.00 5.34 C ATOM 1329 OE1 GLN A 479 19.068 0.594 -2.628 1.00 42.55 O ATOM 1330 NE2 GLN A 479 20.059 -1.141 -1.633 1.00 41.41 N ATOM 0 H GLN A 479 13.871 -1.763 -3.114 1.00 60.21 H new ATOM 0 HA GLN A 479 16.296 -3.122 -3.786 1.00 73.04 H new ATOM 0 HB2 GLN A 479 16.499 -0.842 -1.915 1.00 52.41 H new ATOM 0 HB3 GLN A 479 17.184 -2.335 -1.303 1.00 52.41 H new ATOM 0 HG2 GLN A 479 18.659 -2.528 -3.222 1.00 31.41 H new ATOM 0 HG3 GLN A 479 17.870 -1.188 -4.030 1.00 31.41 H new ATOM 0 HE21 GLN A 479 20.085 -2.150 -1.486 1.00 41.41 H new ATOM 0 HE22 GLN A 479 20.743 -0.541 -1.173 1.00 41.41 H new ATOM 1339 N LEU A 480 16.076 -4.628 -1.517 1.00 43.23 N ATOM 1340 CA LEU A 480 15.586 -5.716 -0.562 1.00 52.24 C ATOM 1341 C LEU A 480 15.356 -4.996 0.809 1.00 23.23 C ATOM 1342 O LEU A 480 15.974 -3.947 1.004 1.00 75.12 O ATOM 1343 CB LEU A 480 16.586 -6.962 -0.343 1.00 41.03 C ATOM 1344 CG LEU A 480 16.918 -8.083 -1.474 1.00 40.10 C ATOM 1345 CD1 LEU A 480 17.109 -7.483 -2.868 1.00 45.23 C ATOM 1346 CD2 LEU A 480 18.243 -8.737 -1.083 1.00 75.50 C ATOM 0 H LEU A 480 17.072 -4.666 -1.732 1.00 43.23 H new ATOM 0 HA LEU A 480 14.693 -6.165 -0.997 1.00 52.24 H new ATOM 0 HB2 LEU A 480 17.545 -6.533 -0.052 1.00 41.03 H new ATOM 0 HB3 LEU A 480 16.205 -7.507 0.521 1.00 41.03 H new ATOM 0 HG LEU A 480 16.080 -8.778 -1.516 1.00 40.10 H new ATOM 0 HD11 LEU A 480 17.328 -8.279 -3.580 1.00 45.23 H new ATOM 0 HD12 LEU A 480 16.198 -6.967 -3.170 1.00 45.23 H new ATOM 0 HD13 LEU A 480 17.938 -6.775 -2.849 1.00 45.23 H new ATOM 0 HD21 LEU A 480 18.504 -9.498 -1.818 1.00 75.50 H new ATOM 0 HD22 LEU A 480 19.027 -7.980 -1.051 1.00 75.50 H new ATOM 0 HD23 LEU A 480 18.145 -9.200 -0.101 1.00 75.50 H new ATOM 1358 N LYS A 481 14.480 -5.516 1.746 1.00 54.44 N ATOM 1359 CA LYS A 481 14.118 -4.832 3.024 1.00 43.33 C ATOM 1360 C LYS A 481 15.329 -4.356 3.819 1.00 13.03 C ATOM 1361 O LYS A 481 16.058 -5.130 4.444 1.00 55.01 O ATOM 1362 CB LYS A 481 13.259 -5.874 3.843 1.00 70.55 C ATOM 1363 CG LYS A 481 13.093 -5.850 5.431 1.00 73.22 C ATOM 1364 CD LYS A 481 12.662 -4.509 6.100 1.00 31.45 C ATOM 1365 CE LYS A 481 11.626 -4.719 7.250 1.00 31.32 C ATOM 1366 NZ LYS A 481 11.850 -5.982 8.020 1.00 5.50 N ATOM 0 H LYS A 481 14.015 -6.416 1.625 1.00 54.44 H new ATOM 0 HA LYS A 481 13.560 -3.919 2.815 1.00 43.33 H new ATOM 0 HB2 LYS A 481 12.251 -5.826 3.432 1.00 70.55 H new ATOM 0 HB3 LYS A 481 13.658 -6.858 3.595 1.00 70.55 H new ATOM 0 HG2 LYS A 481 12.360 -6.610 5.702 1.00 73.22 H new ATOM 0 HG3 LYS A 481 14.043 -6.153 5.871 1.00 73.22 H new ATOM 0 HD2 LYS A 481 13.543 -4.005 6.497 1.00 31.45 H new ATOM 0 HD3 LYS A 481 12.232 -3.851 5.344 1.00 31.45 H new ATOM 0 HE2 LYS A 481 11.674 -3.871 7.933 1.00 31.32 H new ATOM 0 HE3 LYS A 481 10.621 -4.732 6.828 1.00 31.32 H new ATOM 0 HZ1 LYS A 481 11.468 -5.875 8.981 1.00 5.50 H new ATOM 0 HZ2 LYS A 481 11.368 -6.770 7.542 1.00 5.50 H new ATOM 0 HZ3 LYS A 481 12.870 -6.180 8.073 1.00 5.50 H new ATOM 1380 N ARG A 482 15.566 -3.053 3.683 1.00 65.24 N ATOM 1381 CA ARG A 482 16.541 -2.379 4.477 1.00 5.01 C ATOM 1382 C ARG A 482 15.809 -1.487 5.511 1.00 42.43 C ATOM 1383 O ARG A 482 15.109 -0.540 5.128 1.00 35.33 O ATOM 1384 CB ARG A 482 17.538 -1.643 3.492 1.00 53.43 C ATOM 1385 CG ARG A 482 17.145 -0.271 2.861 1.00 71.54 C ATOM 1386 CD ARG A 482 16.007 -0.265 1.808 1.00 35.12 C ATOM 1387 NE ARG A 482 15.655 1.113 1.446 1.00 1.12 N ATOM 1388 CZ ARG A 482 16.152 1.785 0.400 1.00 43.13 C ATOM 1389 NH1 ARG A 482 17.026 1.217 -0.435 1.00 34.43 N ATOM 1390 NH2 ARG A 482 15.765 3.033 0.182 1.00 64.44 N ATOM 0 H ARG A 482 15.079 -2.453 3.017 1.00 65.24 H new ATOM 0 HA ARG A 482 17.159 -3.046 5.078 1.00 5.01 H new ATOM 0 HB2 ARG A 482 18.474 -1.495 4.030 1.00 53.43 H new ATOM 0 HB3 ARG A 482 17.747 -2.329 2.671 1.00 53.43 H new ATOM 0 HG2 ARG A 482 16.858 0.401 3.670 1.00 71.54 H new ATOM 0 HG3 ARG A 482 18.035 0.152 2.396 1.00 71.54 H new ATOM 0 HD2 ARG A 482 16.322 -0.813 0.920 1.00 35.12 H new ATOM 0 HD3 ARG A 482 15.132 -0.779 2.206 1.00 35.12 H new ATOM 0 HE ARG A 482 14.979 1.596 2.037 1.00 1.12 H new ATOM 0 HH11 ARG A 482 17.326 0.254 -0.282 1.00 34.43 H new ATOM 0 HH12 ARG A 482 17.393 1.746 -1.226 1.00 34.43 H new ATOM 0 HH21 ARG A 482 15.093 3.475 0.809 1.00 64.44 H new ATOM 0 HH22 ARG A 482 16.139 3.552 -0.613 1.00 64.44 H new ATOM 1404 N SER A 483 15.907 -1.858 6.813 1.00 1.41 N ATOM 1405 CA SER A 483 15.459 -1.009 7.952 1.00 32.40 C ATOM 1406 C SER A 483 13.903 -0.849 8.037 1.00 71.04 C ATOM 1407 O SER A 483 13.167 -1.446 7.248 1.00 71.52 O ATOM 1408 CB SER A 483 16.195 0.364 7.917 1.00 31.41 C ATOM 1409 OG SER A 483 17.600 0.176 7.897 1.00 21.21 O ATOM 0 H SER A 483 16.298 -2.754 7.105 1.00 1.41 H new ATOM 0 HA SER A 483 15.735 -1.527 8.870 1.00 32.40 H new ATOM 0 HB2 SER A 483 15.885 0.927 7.036 1.00 31.41 H new ATOM 0 HB3 SER A 483 15.914 0.956 8.788 1.00 31.41 H new ATOM 0 HG SER A 483 18.046 1.048 7.873 1.00 21.21 H new