USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 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 419 GLN :FLIP amide:sc= 0 X(o=-0.3,f=-0.23) USER MOD Set 1.2: A 423 GLN :FLIP amide:sc= -0.23 F(o=-0.73,f=-0.23) USER MOD Set 2.1: A 398 GLN : amide:sc= 0.262 K(o=0.54,f=-1.2) USER MOD Set 2.2: A 435 LYS NZ :NH3+ 150:sc= 0.277 (180deg=-0.0865) USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.089) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 MET CE :methyl -166:sc= -0.0144 (180deg=-0.255) USER MOD Single : A 426 MET CE :methyl -158:sc= -1.16 (180deg=-1.96!) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 433 SER OG : rot 3:sc= -0.0459 USER MOD Single : A 452 SER OG : rot -120:sc= 0 USER MOD Single : A 453 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 455 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.9) USER MOD Single : A 458 SER OG : rot 94:sc= 0.5 USER MOD Single : A 460 GLN : amide:sc= -0.0177 K(o=-0.018,f=-1.2) USER MOD Single : A 464 GLN :FLIP amide:sc= -0.0119 F(o=-1.2,f=-0.012) USER MOD Single : A 466 MET CE :methyl -154:sc= -0.634 (180deg=-1.98!) USER MOD Single : A 467 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 470 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.96) 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= 0.183 K(o=0.18,f=-2.6!) USER MOD Single : A 481 LYS NZ :NH3+ 155:sc= -0.0517 (180deg=-0.511) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.839 -7.821 7.896 1.00 54.05 N ATOM 57 CA GLN A 398 -2.055 -7.389 6.718 1.00 31.34 C ATOM 58 C GLN A 398 -0.985 -8.436 6.360 1.00 63.22 C ATOM 59 O GLN A 398 -0.147 -8.782 7.198 1.00 73.23 O ATOM 60 CB GLN A 398 -1.353 -6.024 6.958 1.00 74.03 C ATOM 61 CG GLN A 398 -2.264 -4.833 7.350 1.00 15.20 C ATOM 62 CD GLN A 398 -3.433 -4.566 6.390 1.00 43.01 C ATOM 63 OE1 GLN A 398 -3.289 -3.835 5.412 1.00 21.21 O ATOM 64 NE2 GLN A 398 -4.616 -5.116 6.692 1.00 45.33 N ATOM 0 HA GLN A 398 -2.762 -7.282 5.895 1.00 31.34 H new ATOM 0 HB2 GLN A 398 -0.610 -6.157 7.744 1.00 74.03 H new ATOM 0 HB3 GLN A 398 -0.813 -5.755 6.050 1.00 74.03 H new ATOM 0 HG2 GLN A 398 -2.666 -5.016 8.346 1.00 15.20 H new ATOM 0 HG3 GLN A 398 -1.653 -3.933 7.413 1.00 15.20 H new ATOM 0 HE21 GLN A 398 -4.704 -5.718 7.510 1.00 45.33 H new ATOM 0 HE22 GLN A 398 -5.429 -4.932 6.104 1.00 45.33 H new ATOM 73 N LYS A 399 -1.047 -8.954 5.125 1.00 72.14 N ATOM 74 CA LYS A 399 -0.066 -9.942 4.666 1.00 44.33 C ATOM 75 C LYS A 399 1.160 -9.201 4.125 1.00 3.51 C ATOM 76 O LYS A 399 1.081 -8.515 3.098 1.00 13.34 O ATOM 77 CB LYS A 399 -0.728 -10.877 3.589 1.00 40.22 C ATOM 78 CG LYS A 399 0.212 -11.720 2.663 1.00 5.24 C ATOM 79 CD LYS A 399 0.333 -13.212 3.055 1.00 35.52 C ATOM 80 CE LYS A 399 0.942 -13.453 4.449 1.00 40.11 C ATOM 81 NZ LYS A 399 1.010 -14.909 4.749 1.00 24.34 N ATOM 0 H LYS A 399 -1.757 -8.708 4.435 1.00 72.14 H new ATOM 0 HA LYS A 399 0.262 -10.580 5.487 1.00 44.33 H new ATOM 0 HB2 LYS A 399 -1.390 -11.569 4.110 1.00 40.22 H new ATOM 0 HB3 LYS A 399 -1.356 -10.256 2.950 1.00 40.22 H new ATOM 0 HG2 LYS A 399 -0.156 -11.656 1.639 1.00 5.24 H new ATOM 0 HG3 LYS A 399 1.206 -11.273 2.673 1.00 5.24 H new ATOM 0 HD2 LYS A 399 -0.657 -13.666 3.020 1.00 35.52 H new ATOM 0 HD3 LYS A 399 0.944 -13.723 2.311 1.00 35.52 H new ATOM 0 HE2 LYS A 399 1.941 -13.020 4.494 1.00 40.11 H new ATOM 0 HE3 LYS A 399 0.341 -12.948 5.206 1.00 40.11 H new ATOM 0 HZ1 LYS A 399 1.423 -15.050 5.693 1.00 24.34 H new ATOM 0 HZ2 LYS A 399 0.052 -15.313 4.727 1.00 24.34 H new ATOM 0 HZ3 LYS A 399 1.602 -15.383 4.037 1.00 24.34 H new ATOM 95 N GLU A 400 2.282 -9.333 4.837 1.00 30.13 N ATOM 96 CA GLU A 400 3.559 -8.758 4.355 1.00 32.42 C ATOM 97 C GLU A 400 4.427 -9.860 3.723 1.00 71.35 C ATOM 98 O GLU A 400 4.305 -11.021 4.133 1.00 21.12 O ATOM 99 CB GLU A 400 4.333 -7.961 5.468 1.00 15.33 C ATOM 100 CG GLU A 400 4.504 -8.658 6.837 1.00 60.31 C ATOM 101 CD GLU A 400 5.724 -8.149 7.586 1.00 64.43 C ATOM 102 OE1 GLU A 400 5.703 -6.985 8.047 1.00 31.54 O ATOM 103 OE2 GLU A 400 6.713 -8.910 7.700 1.00 10.01 O ATOM 0 H GLU A 400 2.343 -9.820 5.731 1.00 30.13 H new ATOM 0 HA GLU A 400 3.320 -8.021 3.588 1.00 32.42 H new ATOM 0 HB2 GLU A 400 5.324 -7.719 5.085 1.00 15.33 H new ATOM 0 HB3 GLU A 400 3.815 -7.016 5.631 1.00 15.33 H new ATOM 0 HG2 GLU A 400 3.612 -8.493 7.442 1.00 60.31 H new ATOM 0 HG3 GLU A 400 4.593 -9.734 6.687 1.00 60.31 H new ATOM 110 N GLY A 401 5.194 -9.507 2.633 1.00 32.13 N ATOM 111 CA GLY A 401 6.184 -10.393 2.015 1.00 2.31 C ATOM 112 C GLY A 401 6.941 -11.361 2.950 1.00 5.33 C ATOM 113 O GLY A 401 7.483 -10.915 3.974 1.00 25.11 O ATOM 0 H GLY A 401 5.124 -8.597 2.178 1.00 32.13 H new ATOM 0 HA2 GLY A 401 5.679 -10.985 1.252 1.00 2.31 H new ATOM 0 HA3 GLY A 401 6.920 -9.773 1.502 1.00 2.31 H new ATOM 117 N PRO A 402 7.030 -12.702 2.626 1.00 21.10 N ATOM 118 CA PRO A 402 7.652 -13.687 3.497 1.00 23.32 C ATOM 119 C PRO A 402 9.172 -13.756 3.283 1.00 54.14 C ATOM 120 O PRO A 402 9.727 -12.917 2.560 1.00 13.12 O ATOM 121 CB PRO A 402 6.956 -14.992 3.084 1.00 61.45 C ATOM 122 CG PRO A 402 6.836 -14.877 1.616 1.00 70.13 C ATOM 123 CD PRO A 402 6.596 -13.394 1.355 1.00 13.24 C ATOM 0 HA PRO A 402 7.538 -13.458 4.557 1.00 23.32 H new ATOM 0 HB2 PRO A 402 7.541 -15.866 3.370 1.00 61.45 H new ATOM 0 HB3 PRO A 402 5.980 -15.093 3.559 1.00 61.45 H new ATOM 0 HG2 PRO A 402 7.741 -15.224 1.118 1.00 70.13 H new ATOM 0 HG3 PRO A 402 6.012 -15.483 1.239 1.00 70.13 H new ATOM 0 HD2 PRO A 402 7.172 -13.045 0.498 1.00 13.24 H new ATOM 0 HD3 PRO A 402 5.547 -13.196 1.135 1.00 13.24 H new ATOM 131 N GLU A 403 9.805 -14.701 4.005 1.00 23.42 N ATOM 132 CA GLU A 403 11.249 -15.039 3.910 1.00 4.41 C ATOM 133 C GLU A 403 11.907 -14.725 2.497 1.00 2.11 C ATOM 134 O GLU A 403 11.647 -15.442 1.518 1.00 21.04 O ATOM 135 CB GLU A 403 11.261 -16.594 4.144 1.00 50.34 C ATOM 136 CG GLU A 403 11.443 -16.947 5.602 1.00 62.14 C ATOM 137 CD GLU A 403 10.739 -18.231 6.050 1.00 1.11 C ATOM 138 OE1 GLU A 403 11.287 -19.328 5.858 1.00 1.32 O ATOM 139 OE2 GLU A 403 9.648 -18.133 6.644 1.00 50.12 O ATOM 0 H GLU A 403 9.315 -15.271 4.694 1.00 23.42 H new ATOM 0 HA GLU A 403 11.827 -14.447 4.620 1.00 4.41 H new ATOM 0 HB2 GLU A 403 10.326 -17.022 3.782 1.00 50.34 H new ATOM 0 HB3 GLU A 403 12.065 -17.042 3.560 1.00 50.34 H new ATOM 0 HG2 GLU A 403 12.509 -17.045 5.806 1.00 62.14 H new ATOM 0 HG3 GLU A 403 11.077 -16.119 6.209 1.00 62.14 H new ATOM 146 N GLY A 404 12.716 -13.602 2.378 1.00 3.21 N ATOM 147 CA GLY A 404 13.596 -13.395 1.226 1.00 51.32 C ATOM 148 C GLY A 404 13.142 -12.279 0.285 1.00 55.23 C ATOM 149 O GLY A 404 14.004 -11.615 -0.301 1.00 63.01 O ATOM 0 H GLY A 404 12.754 -12.856 3.072 1.00 3.21 H new ATOM 0 HA2 GLY A 404 14.599 -13.166 1.585 1.00 51.32 H new ATOM 0 HA3 GLY A 404 13.664 -14.326 0.662 1.00 51.32 H new ATOM 153 N ALA A 405 11.819 -12.024 0.111 1.00 54.24 N ATOM 154 CA ALA A 405 11.440 -10.913 -0.767 1.00 13.21 C ATOM 155 C ALA A 405 10.508 -9.936 -0.096 1.00 41.34 C ATOM 156 O ALA A 405 9.429 -10.305 0.387 1.00 41.12 O ATOM 157 CB ALA A 405 10.863 -11.376 -2.094 1.00 62.33 C ATOM 0 H ALA A 405 11.051 -12.540 0.540 1.00 54.24 H new ATOM 0 HA ALA A 405 12.372 -10.390 -0.982 1.00 13.21 H new ATOM 0 HB1 ALA A 405 10.602 -10.508 -2.700 1.00 62.33 H new ATOM 0 HB2 ALA A 405 11.603 -11.978 -2.622 1.00 62.33 H new ATOM 0 HB3 ALA A 405 9.970 -11.975 -1.913 1.00 62.33 H new ATOM 163 N ASN A 406 10.943 -8.687 -0.073 1.00 3.32 N ATOM 164 CA ASN A 406 10.130 -7.564 0.403 1.00 53.13 C ATOM 165 C ASN A 406 10.258 -6.358 -0.589 1.00 43.34 C ATOM 166 O ASN A 406 11.398 -5.907 -0.741 1.00 73.24 O ATOM 167 CB ASN A 406 10.705 -7.183 1.804 1.00 61.12 C ATOM 168 CG ASN A 406 10.751 -8.327 2.826 1.00 21.11 C ATOM 169 OD1 ASN A 406 11.658 -9.154 2.810 1.00 23.51 O ATOM 170 ND2 ASN A 406 9.859 -8.315 3.783 1.00 52.23 N ATOM 0 H ASN A 406 11.875 -8.415 -0.385 1.00 3.32 H new ATOM 0 HA ASN A 406 9.073 -7.824 0.467 1.00 53.13 H new ATOM 0 HB2 ASN A 406 11.715 -6.796 1.671 1.00 61.12 H new ATOM 0 HB3 ASN A 406 10.104 -6.372 2.217 1.00 61.12 H new ATOM 0 HD21 ASN A 406 9.909 -9.002 4.535 1.00 52.23 H new ATOM 0 HD22 ASN A 406 9.114 -7.619 3.777 1.00 52.23 H new ATOM 177 N LEU A 407 9.181 -5.780 -1.275 1.00 21.50 N ATOM 178 CA LEU A 407 9.461 -4.570 -2.073 1.00 22.21 C ATOM 179 C LEU A 407 8.790 -3.386 -1.322 1.00 11.11 C ATOM 180 O LEU A 407 7.549 -3.381 -1.253 1.00 51.20 O ATOM 181 CB LEU A 407 8.930 -4.628 -3.599 1.00 13.03 C ATOM 182 CG LEU A 407 8.923 -5.928 -4.424 1.00 72.43 C ATOM 183 CD1 LEU A 407 7.702 -6.800 -4.091 1.00 72.13 C ATOM 184 CD2 LEU A 407 8.837 -5.511 -5.901 1.00 23.23 C ATOM 0 H LEU A 407 8.218 -6.115 -1.277 1.00 21.50 H new ATOM 0 HA LEU A 407 10.542 -4.463 -2.164 1.00 22.21 H new ATOM 0 HB2 LEU A 407 7.904 -4.261 -3.586 1.00 13.03 H new ATOM 0 HB3 LEU A 407 9.520 -3.905 -4.162 1.00 13.03 H new ATOM 0 HG LEU A 407 9.819 -6.509 -4.203 1.00 72.43 H new ATOM 0 HD11 LEU A 407 7.730 -7.709 -4.692 1.00 72.13 H new ATOM 0 HD12 LEU A 407 7.720 -7.063 -3.033 1.00 72.13 H new ATOM 0 HD13 LEU A 407 6.789 -6.247 -4.312 1.00 72.13 H new ATOM 0 HD21 LEU A 407 8.829 -6.401 -6.530 1.00 23.23 H new ATOM 0 HD22 LEU A 407 7.922 -4.942 -6.066 1.00 23.23 H new ATOM 0 HD23 LEU A 407 9.699 -4.894 -6.156 1.00 23.23 H new ATOM 196 N PHE A 408 9.539 -2.377 -0.714 1.00 44.23 N ATOM 197 CA PHE A 408 8.801 -1.190 -0.205 1.00 51.11 C ATOM 198 C PHE A 408 8.881 -0.053 -1.242 1.00 2.41 C ATOM 199 O PHE A 408 9.980 0.456 -1.480 1.00 73.24 O ATOM 200 CB PHE A 408 9.430 -0.656 1.099 1.00 21.52 C ATOM 201 CG PHE A 408 9.490 -1.540 2.333 1.00 40.45 C ATOM 202 CD1 PHE A 408 8.892 -2.800 2.429 1.00 31.35 C ATOM 203 CD2 PHE A 408 10.209 -1.078 3.424 1.00 32.31 C ATOM 204 CE1 PHE A 408 9.022 -3.557 3.575 1.00 42.10 C ATOM 205 CE2 PHE A 408 10.332 -1.830 4.569 1.00 22.34 C ATOM 206 CZ PHE A 408 9.741 -3.073 4.647 1.00 55.44 C ATOM 0 H PHE A 408 10.551 -2.374 -0.583 1.00 44.23 H new ATOM 0 HA PHE A 408 7.772 -1.498 -0.022 1.00 51.11 H new ATOM 0 HB2 PHE A 408 10.451 -0.355 0.866 1.00 21.52 H new ATOM 0 HB3 PHE A 408 8.886 0.248 1.374 1.00 21.52 H new ATOM 0 HD1 PHE A 408 8.322 -3.185 1.597 1.00 31.35 H new ATOM 0 HD2 PHE A 408 10.682 -0.108 3.374 1.00 32.31 H new ATOM 0 HE1 PHE A 408 8.559 -4.531 3.632 1.00 42.10 H new ATOM 0 HE2 PHE A 408 10.893 -1.446 5.408 1.00 22.34 H new ATOM 0 HZ PHE A 408 9.841 -3.665 5.545 1.00 55.44 H new ATOM 216 N ILE A 409 7.747 0.383 -1.858 1.00 72.42 N ATOM 217 CA ILE A 409 7.881 1.338 -3.004 1.00 55.14 C ATOM 218 C ILE A 409 7.677 2.801 -2.557 1.00 64.31 C ATOM 219 O ILE A 409 6.639 3.162 -2.005 1.00 3.05 O ATOM 220 CB ILE A 409 6.995 0.967 -4.263 1.00 25.33 C ATOM 221 CG1 ILE A 409 6.835 -0.591 -4.403 1.00 3.42 C ATOM 222 CG2 ILE A 409 7.652 1.559 -5.533 1.00 4.23 C ATOM 223 CD1 ILE A 409 5.818 -1.062 -5.469 1.00 52.05 C ATOM 0 H ILE A 409 6.795 0.116 -1.608 1.00 72.42 H new ATOM 0 HA ILE A 409 8.911 1.238 -3.346 1.00 55.14 H new ATOM 0 HB ILE A 409 5.999 1.389 -4.134 1.00 25.33 H new ATOM 0 HG12 ILE A 409 7.809 -1.019 -4.641 1.00 3.42 H new ATOM 0 HG13 ILE A 409 6.536 -0.996 -3.436 1.00 3.42 H new ATOM 0 HG21 ILE A 409 7.048 1.308 -6.405 1.00 4.23 H new ATOM 0 HG22 ILE A 409 7.718 2.643 -5.437 1.00 4.23 H new ATOM 0 HG23 ILE A 409 8.653 1.143 -5.652 1.00 4.23 H new ATOM 0 HD11 ILE A 409 5.785 -2.151 -5.484 1.00 52.05 H new ATOM 0 HD12 ILE A 409 4.830 -0.672 -5.226 1.00 52.05 H new ATOM 0 HD13 ILE A 409 6.122 -0.695 -6.449 1.00 52.05 H new ATOM 235 N TYR A 410 8.730 3.612 -2.827 1.00 72.23 N ATOM 236 CA TYR A 410 8.897 4.986 -2.311 1.00 74.01 C ATOM 237 C TYR A 410 8.891 5.992 -3.483 1.00 42.22 C ATOM 238 O TYR A 410 9.316 5.596 -4.578 1.00 2.13 O ATOM 239 CB TYR A 410 10.256 5.050 -1.521 1.00 73.33 C ATOM 240 CG TYR A 410 10.134 4.766 -0.014 1.00 34.43 C ATOM 241 CD1 TYR A 410 9.505 5.675 0.839 1.00 3.13 C ATOM 242 CD2 TYR A 410 10.651 3.593 0.559 1.00 42.12 C ATOM 243 CE1 TYR A 410 9.387 5.421 2.209 1.00 42.13 C ATOM 244 CE2 TYR A 410 10.539 3.346 1.922 1.00 53.54 C ATOM 245 CZ TYR A 410 9.905 4.259 2.736 1.00 1.13 C ATOM 246 OH TYR A 410 9.794 4.013 4.094 1.00 22.32 O ATOM 0 H TYR A 410 9.503 3.318 -3.424 1.00 72.23 H new ATOM 0 HA TYR A 410 8.075 5.248 -1.644 1.00 74.01 H new ATOM 0 HB2 TYR A 410 10.949 4.331 -1.958 1.00 73.33 H new ATOM 0 HB3 TYR A 410 10.694 6.039 -1.657 1.00 73.33 H new ATOM 0 HD1 TYR A 410 9.102 6.591 0.433 1.00 3.13 H new ATOM 0 HD2 TYR A 410 11.145 2.869 -0.072 1.00 42.12 H new ATOM 0 HE1 TYR A 410 8.891 6.134 2.852 1.00 42.13 H new ATOM 0 HE2 TYR A 410 10.948 2.439 2.343 1.00 53.54 H new ATOM 0 HH TYR A 410 10.209 3.151 4.305 1.00 22.32 H new ATOM 256 N HIS A 411 8.380 7.275 -3.289 1.00 42.24 N ATOM 257 CA HIS A 411 8.497 8.327 -4.322 1.00 2.54 C ATOM 258 C HIS A 411 7.497 8.086 -5.485 1.00 41.33 C ATOM 259 O HIS A 411 7.886 7.803 -6.619 1.00 11.51 O ATOM 260 CB HIS A 411 9.957 8.509 -4.805 1.00 63.21 C ATOM 261 CG HIS A 411 10.750 9.489 -3.979 1.00 13.40 C ATOM 262 ND1 HIS A 411 11.745 9.081 -3.125 1.00 31.24 N ATOM 263 CD2 HIS A 411 10.693 10.852 -3.860 1.00 72.33 C ATOM 264 CE1 HIS A 411 12.249 10.125 -2.499 1.00 14.50 C ATOM 265 NE2 HIS A 411 11.643 11.216 -2.930 1.00 41.30 N ATOM 0 H HIS A 411 7.900 7.572 -2.440 1.00 42.24 H new ATOM 0 HA HIS A 411 8.219 9.276 -3.863 1.00 2.54 H new ATOM 0 HB2 HIS A 411 10.460 7.542 -4.787 1.00 63.21 H new ATOM 0 HB3 HIS A 411 9.948 8.845 -5.842 1.00 63.21 H new ATOM 0 HD2 HIS A 411 10.029 11.516 -4.394 1.00 72.33 H new ATOM 0 HE1 HIS A 411 13.031 10.094 -1.754 1.00 14.50 H new ATOM 0 HE2 HIS A 411 11.844 12.169 -2.626 1.00 41.30 H new ATOM 274 N LEU A 412 6.204 8.206 -5.137 1.00 32.32 N ATOM 275 CA LEU A 412 5.036 7.666 -5.915 1.00 50.03 C ATOM 276 C LEU A 412 4.483 8.740 -6.874 1.00 51.52 C ATOM 277 O LEU A 412 4.058 9.813 -6.432 1.00 41.14 O ATOM 278 CB LEU A 412 3.943 7.311 -4.883 1.00 43.20 C ATOM 279 CG LEU A 412 3.085 6.025 -5.038 1.00 42.54 C ATOM 280 CD1 LEU A 412 3.029 5.391 -3.668 1.00 2.30 C ATOM 281 CD2 LEU A 412 1.651 6.354 -5.475 1.00 60.43 C ATOM 0 H LEU A 412 5.917 8.691 -4.287 1.00 32.32 H new ATOM 0 HA LEU A 412 5.339 6.801 -6.505 1.00 50.03 H new ATOM 0 HB2 LEU A 412 4.429 7.255 -3.909 1.00 43.20 H new ATOM 0 HB3 LEU A 412 3.252 8.153 -4.847 1.00 43.20 H new ATOM 0 HG LEU A 412 3.524 5.374 -5.794 1.00 42.54 H new ATOM 0 HD11 LEU A 412 2.436 4.478 -3.714 1.00 2.30 H new ATOM 0 HD12 LEU A 412 4.039 5.151 -3.336 1.00 2.30 H new ATOM 0 HD13 LEU A 412 2.571 6.086 -2.964 1.00 2.30 H new ATOM 0 HD21 LEU A 412 1.080 5.431 -5.573 1.00 60.43 H new ATOM 0 HD22 LEU A 412 1.181 6.994 -4.728 1.00 60.43 H new ATOM 0 HD23 LEU A 412 1.673 6.871 -6.434 1.00 60.43 H new ATOM 293 N PRO A 413 4.538 8.469 -8.196 1.00 21.43 N ATOM 294 CA PRO A 413 3.929 9.316 -9.243 1.00 41.12 C ATOM 295 C PRO A 413 2.404 9.113 -9.401 1.00 34.01 C ATOM 296 O PRO A 413 1.854 8.103 -8.974 1.00 31.52 O ATOM 297 CB PRO A 413 4.693 8.886 -10.504 1.00 12.22 C ATOM 298 CG PRO A 413 5.087 7.474 -10.254 1.00 0.11 C ATOM 299 CD PRO A 413 5.292 7.346 -8.773 1.00 61.45 C ATOM 0 HA PRO A 413 4.012 10.378 -9.011 1.00 41.12 H new ATOM 0 HB2 PRO A 413 4.067 8.969 -11.392 1.00 12.22 H new ATOM 0 HB3 PRO A 413 5.567 9.516 -10.670 1.00 12.22 H new ATOM 0 HG2 PRO A 413 4.313 6.788 -10.599 1.00 0.11 H new ATOM 0 HG3 PRO A 413 6.000 7.224 -10.795 1.00 0.11 H new ATOM 0 HD2 PRO A 413 4.923 6.389 -8.403 1.00 61.45 H new ATOM 0 HD3 PRO A 413 6.349 7.403 -8.513 1.00 61.45 H new ATOM 307 N GLN A 414 1.737 10.098 -10.028 1.00 12.32 N ATOM 308 CA GLN A 414 0.247 10.144 -10.130 1.00 40.32 C ATOM 309 C GLN A 414 -0.311 9.092 -11.141 1.00 71.52 C ATOM 310 O GLN A 414 -1.451 8.644 -10.985 1.00 5.24 O ATOM 311 CB GLN A 414 -0.186 11.613 -10.478 1.00 3.22 C ATOM 312 CG GLN A 414 -1.168 11.825 -11.667 1.00 61.24 C ATOM 313 CD GLN A 414 -1.179 13.274 -12.104 1.00 22.13 C ATOM 314 OE1 GLN A 414 -1.979 14.078 -11.632 1.00 0.25 O ATOM 315 NE2 GLN A 414 -0.267 13.614 -13.001 1.00 61.42 N ATOM 0 H GLN A 414 2.202 10.886 -10.480 1.00 12.32 H new ATOM 0 HA GLN A 414 -0.190 9.867 -9.170 1.00 40.32 H new ATOM 0 HB2 GLN A 414 -0.642 12.046 -9.588 1.00 3.22 H new ATOM 0 HB3 GLN A 414 0.717 12.187 -10.685 1.00 3.22 H new ATOM 0 HG2 GLN A 414 -0.875 11.191 -12.504 1.00 61.24 H new ATOM 0 HG3 GLN A 414 -2.173 11.522 -11.373 1.00 61.24 H new ATOM 0 HE21 GLN A 414 0.377 12.912 -13.365 1.00 61.42 H new ATOM 0 HE22 GLN A 414 -0.208 14.578 -13.328 1.00 61.42 H new ATOM 324 N GLU A 415 0.495 8.679 -12.158 1.00 71.33 N ATOM 325 CA GLU A 415 0.030 7.685 -13.150 1.00 1.21 C ATOM 326 C GLU A 415 0.143 6.239 -12.607 1.00 20.45 C ATOM 327 O GLU A 415 -0.718 5.415 -12.916 1.00 73.34 O ATOM 328 CB GLU A 415 0.756 7.822 -14.513 1.00 35.41 C ATOM 329 CG GLU A 415 0.223 8.920 -15.469 1.00 43.42 C ATOM 330 CD GLU A 415 1.130 9.111 -16.672 1.00 21.31 C ATOM 331 OE1 GLU A 415 2.186 9.761 -16.526 1.00 43.10 O ATOM 332 OE2 GLU A 415 0.788 8.610 -17.763 1.00 61.14 O ATOM 0 H GLU A 415 1.447 9.013 -12.306 1.00 71.33 H new ATOM 0 HA GLU A 415 -1.024 7.899 -13.325 1.00 1.21 H new ATOM 0 HB2 GLU A 415 1.811 8.019 -14.320 1.00 35.41 H new ATOM 0 HB3 GLU A 415 0.700 6.863 -15.028 1.00 35.41 H new ATOM 0 HG2 GLU A 415 -0.778 8.652 -15.808 1.00 43.42 H new ATOM 0 HG3 GLU A 415 0.135 9.862 -14.927 1.00 43.42 H new ATOM 339 N PHE A 416 1.186 5.916 -11.803 1.00 34.32 N ATOM 340 CA PHE A 416 1.184 4.603 -11.075 1.00 10.53 C ATOM 341 C PHE A 416 0.547 4.764 -9.651 1.00 1.41 C ATOM 342 O PHE A 416 1.210 5.300 -8.759 1.00 45.45 O ATOM 343 CB PHE A 416 2.654 4.004 -10.996 1.00 63.00 C ATOM 344 CG PHE A 416 3.137 3.180 -12.190 1.00 21.12 C ATOM 345 CD1 PHE A 416 2.859 3.518 -13.524 1.00 14.12 C ATOM 346 CD2 PHE A 416 3.900 2.039 -11.953 1.00 71.22 C ATOM 347 CE1 PHE A 416 3.330 2.731 -14.574 1.00 4.51 C ATOM 348 CE2 PHE A 416 4.366 1.259 -12.999 1.00 23.51 C ATOM 349 CZ PHE A 416 4.079 1.605 -14.307 1.00 64.34 C ATOM 0 H PHE A 416 2.003 6.504 -11.640 1.00 34.32 H new ATOM 0 HA PHE A 416 0.571 3.895 -11.633 1.00 10.53 H new ATOM 0 HB2 PHE A 416 3.349 4.832 -10.853 1.00 63.00 H new ATOM 0 HB3 PHE A 416 2.717 3.378 -10.106 1.00 63.00 H new ATOM 0 HD1 PHE A 416 2.273 4.399 -13.740 1.00 14.12 H new ATOM 0 HD2 PHE A 416 4.132 1.758 -10.937 1.00 71.22 H new ATOM 0 HE1 PHE A 416 3.108 3.003 -15.595 1.00 4.51 H new ATOM 0 HE2 PHE A 416 4.955 0.378 -12.792 1.00 23.51 H new ATOM 0 HZ PHE A 416 4.442 0.993 -15.119 1.00 64.34 H new ATOM 359 N GLY A 417 -0.748 4.288 -9.421 1.00 22.21 N ATOM 360 CA GLY A 417 -1.380 4.404 -8.099 1.00 1.42 C ATOM 361 C GLY A 417 -1.668 3.003 -7.483 1.00 23.45 C ATOM 362 O GLY A 417 -0.958 2.053 -7.828 1.00 21.32 O ATOM 0 H GLY A 417 -1.328 3.841 -10.131 1.00 22.21 H new ATOM 0 HA2 GLY A 417 -0.730 4.970 -7.432 1.00 1.42 H new ATOM 0 HA3 GLY A 417 -2.312 4.963 -8.187 1.00 1.42 H new ATOM 366 N ASP A 418 -2.700 2.811 -6.596 1.00 63.50 N ATOM 367 CA ASP A 418 -2.819 1.505 -5.865 1.00 64.04 C ATOM 368 C ASP A 418 -3.538 0.398 -6.627 1.00 12.15 C ATOM 369 O ASP A 418 -3.076 -0.756 -6.596 1.00 20.42 O ATOM 370 CB ASP A 418 -3.407 1.572 -4.436 1.00 53.41 C ATOM 371 CG ASP A 418 -4.716 2.346 -4.312 1.00 12.11 C ATOM 372 OD1 ASP A 418 -4.719 3.576 -4.531 1.00 13.33 O ATOM 373 OD2 ASP A 418 -5.736 1.716 -3.974 1.00 70.41 O ATOM 0 H ASP A 418 -3.421 3.500 -6.380 1.00 63.50 H new ATOM 0 HA ASP A 418 -1.763 1.250 -5.779 1.00 64.04 H new ATOM 0 HB2 ASP A 418 -3.568 0.555 -4.078 1.00 53.41 H new ATOM 0 HB3 ASP A 418 -2.669 2.029 -3.777 1.00 53.41 H new ATOM 378 N GLN A 419 -4.688 0.708 -7.269 1.00 60.55 N ATOM 379 CA GLN A 419 -5.357 -0.236 -8.151 1.00 52.42 C ATOM 380 C GLN A 419 -4.422 -0.622 -9.374 1.00 43.35 C ATOM 381 O GLN A 419 -4.719 -1.600 -10.060 1.00 61.44 O ATOM 382 CB GLN A 419 -6.765 0.297 -8.610 1.00 33.42 C ATOM 383 CG GLN A 419 -6.720 1.642 -9.342 1.00 52.43 C ATOM 384 CD GLN A 419 -7.354 1.552 -10.711 1.00 70.15 C ATOM 385 OE1 GLN A 419 -6.568 1.180 -11.707 1.00 54.25 O flip ATOM 386 NE2 GLN A 419 -8.547 1.790 -10.874 1.00 53.15 N flip ATOM 0 H GLN A 419 -5.160 1.608 -7.183 1.00 60.55 H new ATOM 0 HA GLN A 419 -5.547 -1.151 -7.590 1.00 52.42 H new ATOM 0 HB2 GLN A 419 -7.226 -0.444 -9.263 1.00 33.42 H new ATOM 0 HB3 GLN A 419 -7.407 0.394 -7.735 1.00 33.42 H new ATOM 0 HG2 GLN A 419 -7.237 2.397 -8.750 1.00 52.43 H new ATOM 0 HG3 GLN A 419 -5.685 1.969 -9.441 1.00 52.43 H new ATOM 0 HE21 GLN A 419 -9.123 2.075 -10.082 1.00 53.15 H new ATOM 0 HE22 GLN A 419 -8.962 1.703 -11.802 1.00 53.15 H new ATOM 395 N ASP A 420 -3.280 0.150 -9.648 1.00 22.53 N ATOM 396 CA ASP A 420 -2.367 -0.179 -10.757 1.00 44.34 C ATOM 397 C ASP A 420 -1.169 -1.062 -10.288 1.00 54.33 C ATOM 398 O ASP A 420 -0.482 -1.669 -11.115 1.00 64.24 O ATOM 399 CB ASP A 420 -1.956 1.112 -11.548 1.00 14.12 C ATOM 400 CG ASP A 420 -0.602 1.053 -12.226 1.00 0.12 C ATOM 401 OD1 ASP A 420 -0.523 0.514 -13.353 1.00 44.45 O ATOM 402 OD2 ASP A 420 0.376 1.513 -11.618 1.00 2.04 O ATOM 0 H ASP A 420 -3.009 0.974 -9.111 1.00 22.53 H new ATOM 0 HA ASP A 420 -2.901 -0.805 -11.472 1.00 44.34 H new ATOM 0 HB2 ASP A 420 -2.715 1.311 -12.305 1.00 14.12 H new ATOM 0 HB3 ASP A 420 -1.963 1.957 -10.860 1.00 14.12 H new ATOM 407 N ILE A 421 -0.929 -1.171 -8.965 1.00 22.35 N ATOM 408 CA ILE A 421 0.247 -1.953 -8.474 1.00 20.34 C ATOM 409 C ILE A 421 0.139 -3.480 -8.833 1.00 61.12 C ATOM 410 O ILE A 421 1.140 -4.136 -9.146 1.00 12.34 O ATOM 411 CB ILE A 421 0.562 -1.662 -6.939 1.00 11.02 C ATOM 412 CG1 ILE A 421 1.795 -0.687 -6.748 1.00 31.14 C ATOM 413 CG2 ILE A 421 0.714 -2.916 -6.069 1.00 33.23 C ATOM 414 CD1 ILE A 421 2.769 -0.495 -7.889 1.00 22.55 C ATOM 0 H ILE A 421 -1.503 -0.749 -8.235 1.00 22.35 H new ATOM 0 HA ILE A 421 1.124 -1.599 -9.016 1.00 20.34 H new ATOM 0 HB ILE A 421 -0.333 -1.156 -6.577 1.00 11.02 H new ATOM 0 HG12 ILE A 421 1.399 0.294 -6.486 1.00 31.14 H new ATOM 0 HG13 ILE A 421 2.363 -1.042 -5.888 1.00 31.14 H new ATOM 0 HG21 ILE A 421 0.927 -2.622 -5.041 1.00 33.23 H new ATOM 0 HG22 ILE A 421 -0.210 -3.493 -6.098 1.00 33.23 H new ATOM 0 HG23 ILE A 421 1.534 -3.525 -6.449 1.00 33.23 H new ATOM 0 HD11 ILE A 421 3.550 0.203 -7.587 1.00 22.55 H new ATOM 0 HD12 ILE A 421 3.219 -1.453 -8.148 1.00 22.55 H new ATOM 0 HD13 ILE A 421 2.241 -0.096 -8.755 1.00 22.55 H new ATOM 426 N LEU A 422 -1.095 -3.990 -8.828 1.00 62.20 N ATOM 427 CA LEU A 422 -1.489 -5.295 -9.364 1.00 51.54 C ATOM 428 C LEU A 422 -1.467 -5.370 -10.934 1.00 54.22 C ATOM 429 O LEU A 422 -1.513 -6.469 -11.476 1.00 74.44 O ATOM 430 CB LEU A 422 -2.865 -5.769 -8.788 1.00 10.41 C ATOM 431 CG LEU A 422 -3.742 -4.782 -7.984 1.00 54.14 C ATOM 432 CD1 LEU A 422 -5.201 -5.202 -8.114 1.00 44.33 C ATOM 433 CD2 LEU A 422 -3.357 -4.791 -6.498 1.00 14.13 C ATOM 0 H LEU A 422 -1.884 -3.480 -8.431 1.00 62.20 H new ATOM 0 HA LEU A 422 -0.722 -5.990 -9.023 1.00 51.54 H new ATOM 0 HB2 LEU A 422 -3.463 -6.126 -9.626 1.00 10.41 H new ATOM 0 HB3 LEU A 422 -2.670 -6.628 -8.146 1.00 10.41 H new ATOM 0 HG LEU A 422 -3.590 -3.778 -8.380 1.00 54.14 H new ATOM 0 HD11 LEU A 422 -5.830 -4.513 -7.550 1.00 44.33 H new ATOM 0 HD12 LEU A 422 -5.493 -5.184 -9.164 1.00 44.33 H new ATOM 0 HD13 LEU A 422 -5.326 -6.211 -7.721 1.00 44.33 H new ATOM 0 HD21 LEU A 422 -3.988 -4.088 -5.954 1.00 14.13 H new ATOM 0 HD22 LEU A 422 -3.496 -5.793 -6.092 1.00 14.13 H new ATOM 0 HD23 LEU A 422 -2.313 -4.498 -6.391 1.00 14.13 H new ATOM 445 N GLN A 423 -1.399 -4.224 -11.667 1.00 34.14 N ATOM 446 CA GLN A 423 -1.501 -4.223 -13.138 1.00 60.42 C ATOM 447 C GLN A 423 -0.152 -4.584 -13.802 1.00 63.23 C ATOM 448 O GLN A 423 -0.089 -5.551 -14.571 1.00 3.45 O ATOM 449 CB GLN A 423 -2.008 -2.862 -13.672 1.00 1.22 C ATOM 450 CG GLN A 423 -3.548 -2.670 -13.638 1.00 64.01 C ATOM 451 CD GLN A 423 -3.984 -1.244 -13.925 1.00 53.41 C ATOM 452 OE1 GLN A 423 -3.197 -0.506 -14.688 1.00 4.24 O flip ATOM 453 NE2 GLN A 423 -5.027 -0.801 -13.444 1.00 24.52 N flip ATOM 0 H GLN A 423 -1.275 -3.298 -11.257 1.00 34.14 H new ATOM 0 HA GLN A 423 -2.230 -4.989 -13.403 1.00 60.42 H new ATOM 0 HB2 GLN A 423 -1.546 -2.066 -13.088 1.00 1.22 H new ATOM 0 HB3 GLN A 423 -1.666 -2.743 -14.700 1.00 1.22 H new ATOM 0 HG2 GLN A 423 -4.006 -3.336 -14.369 1.00 64.01 H new ATOM 0 HG3 GLN A 423 -3.922 -2.966 -12.658 1.00 64.01 H new ATOM 0 HE21 GLN A 423 -5.612 -1.397 -12.859 1.00 24.52 H new ATOM 0 HE22 GLN A 423 -5.306 0.162 -13.631 1.00 24.52 H new ATOM 462 N MET A 424 0.923 -3.828 -13.494 1.00 73.45 N ATOM 463 CA MET A 424 2.207 -3.982 -14.206 1.00 13.14 C ATOM 464 C MET A 424 3.119 -5.147 -13.720 1.00 23.43 C ATOM 465 O MET A 424 3.967 -5.611 -14.489 1.00 72.21 O ATOM 466 CB MET A 424 2.990 -2.648 -14.173 1.00 71.23 C ATOM 467 CG MET A 424 2.354 -1.511 -14.986 1.00 21.14 C ATOM 468 SD MET A 424 2.221 -1.901 -16.745 1.00 3.01 S ATOM 469 CE MET A 424 3.948 -1.933 -17.230 1.00 20.13 C ATOM 0 H MET A 424 0.927 -3.114 -12.766 1.00 73.45 H new ATOM 0 HA MET A 424 1.930 -4.255 -15.224 1.00 13.14 H new ATOM 0 HB2 MET A 424 3.087 -2.325 -13.137 1.00 71.23 H new ATOM 0 HB3 MET A 424 3.998 -2.825 -14.548 1.00 71.23 H new ATOM 0 HG2 MET A 424 1.361 -1.298 -14.589 1.00 21.14 H new ATOM 0 HG3 MET A 424 2.948 -0.605 -14.863 1.00 21.14 H new ATOM 0 HE1 MET A 424 4.021 -1.913 -18.317 1.00 20.13 H new ATOM 0 HE2 MET A 424 4.458 -1.064 -16.816 1.00 20.13 H new ATOM 0 HE3 MET A 424 4.415 -2.842 -16.852 1.00 20.13 H new ATOM 479 N PHE A 425 2.948 -5.643 -12.484 1.00 41.14 N ATOM 480 CA PHE A 425 3.877 -6.604 -11.885 1.00 12.21 C ATOM 481 C PHE A 425 3.426 -8.086 -12.023 1.00 20.12 C ATOM 482 O PHE A 425 4.149 -8.975 -11.578 1.00 3.41 O ATOM 483 CB PHE A 425 4.123 -6.200 -10.427 1.00 15.24 C ATOM 484 CG PHE A 425 5.237 -5.229 -10.191 1.00 23.32 C ATOM 485 CD1 PHE A 425 5.093 -3.906 -10.567 1.00 30.42 C ATOM 486 CD2 PHE A 425 6.413 -5.622 -9.574 1.00 23.34 C ATOM 487 CE1 PHE A 425 6.084 -2.985 -10.342 1.00 44.02 C ATOM 488 CE2 PHE A 425 7.417 -4.705 -9.342 1.00 24.13 C ATOM 489 CZ PHE A 425 7.263 -3.380 -9.733 1.00 31.12 C ATOM 0 H PHE A 425 2.167 -5.389 -11.879 1.00 41.14 H new ATOM 0 HA PHE A 425 4.814 -6.563 -12.441 1.00 12.21 H new ATOM 0 HB2 PHE A 425 3.203 -5.770 -10.031 1.00 15.24 H new ATOM 0 HB3 PHE A 425 4.327 -7.103 -9.851 1.00 15.24 H new ATOM 0 HD1 PHE A 425 4.179 -3.591 -11.049 1.00 30.42 H new ATOM 0 HD2 PHE A 425 6.545 -6.651 -9.273 1.00 23.34 H new ATOM 0 HE1 PHE A 425 5.945 -1.956 -10.639 1.00 44.02 H new ATOM 0 HE2 PHE A 425 8.328 -5.018 -8.854 1.00 24.13 H new ATOM 0 HZ PHE A 425 8.055 -2.666 -9.563 1.00 31.12 H new ATOM 499 N MET A 426 2.243 -8.338 -12.640 1.00 22.04 N ATOM 500 CA MET A 426 1.609 -9.674 -12.699 1.00 35.12 C ATOM 501 C MET A 426 2.409 -10.717 -13.535 1.00 65.23 C ATOM 502 O MET A 426 2.534 -11.855 -13.085 1.00 50.21 O ATOM 503 CB MET A 426 0.178 -9.551 -13.248 1.00 65.41 C ATOM 504 CG MET A 426 -0.884 -9.518 -12.159 1.00 71.34 C ATOM 505 SD MET A 426 -1.667 -11.125 -11.905 1.00 3.33 S ATOM 506 CE MET A 426 -1.311 -11.435 -10.179 1.00 52.23 C ATOM 0 H MET A 426 1.702 -7.614 -13.112 1.00 22.04 H new ATOM 0 HA MET A 426 1.595 -10.049 -11.676 1.00 35.12 H new ATOM 0 HB2 MET A 426 0.103 -8.643 -13.847 1.00 65.41 H new ATOM 0 HB3 MET A 426 -0.021 -10.390 -13.915 1.00 65.41 H new ATOM 0 HG2 MET A 426 -0.431 -9.187 -11.225 1.00 71.34 H new ATOM 0 HG3 MET A 426 -1.646 -8.784 -12.422 1.00 71.34 H new ATOM 0 HE1 MET A 426 -1.372 -12.505 -9.981 1.00 52.23 H new ATOM 0 HE2 MET A 426 -0.308 -11.079 -9.945 1.00 52.23 H new ATOM 0 HE3 MET A 426 -2.036 -10.909 -9.558 1.00 52.23 H new ATOM 516 N PRO A 427 2.945 -10.399 -14.776 1.00 42.03 N ATOM 517 CA PRO A 427 3.752 -11.371 -15.516 1.00 14.52 C ATOM 518 C PRO A 427 5.158 -11.576 -14.944 1.00 44.31 C ATOM 519 O PRO A 427 5.777 -12.610 -15.201 1.00 61.23 O ATOM 520 CB PRO A 427 3.814 -10.834 -16.948 1.00 2.44 C ATOM 521 CG PRO A 427 3.340 -9.422 -16.917 1.00 14.51 C ATOM 522 CD PRO A 427 2.755 -9.149 -15.558 1.00 73.12 C ATOM 0 HA PRO A 427 3.295 -12.359 -15.452 1.00 14.52 H new ATOM 0 HB2 PRO A 427 4.832 -10.888 -17.334 1.00 2.44 H new ATOM 0 HB3 PRO A 427 3.189 -11.434 -17.610 1.00 2.44 H new ATOM 0 HG2 PRO A 427 4.166 -8.740 -17.119 1.00 14.51 H new ATOM 0 HG3 PRO A 427 2.592 -9.255 -17.693 1.00 14.51 H new ATOM 0 HD2 PRO A 427 3.256 -8.308 -15.079 1.00 73.12 H new ATOM 0 HD3 PRO A 427 1.699 -8.891 -15.632 1.00 73.12 H new ATOM 530 N PHE A 428 5.674 -10.602 -14.185 1.00 32.22 N ATOM 531 CA PHE A 428 6.898 -10.811 -13.425 1.00 24.45 C ATOM 532 C PHE A 428 6.687 -11.689 -12.134 1.00 73.42 C ATOM 533 O PHE A 428 7.694 -12.060 -11.518 1.00 62.24 O ATOM 534 CB PHE A 428 7.617 -9.443 -13.094 1.00 64.41 C ATOM 535 CG PHE A 428 8.151 -8.654 -14.279 1.00 24.10 C ATOM 536 CD1 PHE A 428 8.810 -9.292 -15.317 1.00 5.31 C ATOM 537 CD2 PHE A 428 8.042 -7.261 -14.330 1.00 22.14 C ATOM 538 CE1 PHE A 428 9.327 -8.576 -16.376 1.00 24.41 C ATOM 539 CE2 PHE A 428 8.578 -6.542 -15.391 1.00 55.40 C ATOM 540 CZ PHE A 428 9.219 -7.205 -16.409 1.00 53.12 C ATOM 0 H PHE A 428 5.264 -9.673 -14.085 1.00 32.22 H new ATOM 0 HA PHE A 428 7.561 -11.387 -14.071 1.00 24.45 H new ATOM 0 HB2 PHE A 428 6.914 -8.811 -12.552 1.00 64.41 H new ATOM 0 HB3 PHE A 428 8.448 -9.649 -12.419 1.00 64.41 H new ATOM 0 HD1 PHE A 428 8.921 -10.366 -15.297 1.00 5.31 H new ATOM 0 HD2 PHE A 428 7.534 -6.737 -13.534 1.00 22.14 H new ATOM 0 HE1 PHE A 428 9.820 -9.095 -17.185 1.00 24.41 H new ATOM 0 HE2 PHE A 428 8.491 -5.466 -15.415 1.00 55.40 H new ATOM 0 HZ PHE A 428 9.638 -6.650 -17.235 1.00 53.12 H new ATOM 550 N GLY A 429 5.428 -12.115 -11.748 1.00 15.32 N ATOM 551 CA GLY A 429 5.275 -12.808 -10.434 1.00 32.03 C ATOM 552 C GLY A 429 3.821 -12.733 -9.808 1.00 11.40 C ATOM 553 O GLY A 429 3.047 -11.862 -10.206 1.00 22.32 O ATOM 0 H GLY A 429 4.572 -11.998 -12.290 1.00 15.32 H new ATOM 0 HA2 GLY A 429 5.548 -13.856 -10.558 1.00 32.03 H new ATOM 0 HA3 GLY A 429 5.983 -12.376 -9.727 1.00 32.03 H new ATOM 557 N ASN A 430 3.449 -13.618 -8.802 1.00 31.22 N ATOM 558 CA ASN A 430 2.027 -13.709 -8.266 1.00 4.44 C ATOM 559 C ASN A 430 1.691 -12.559 -7.201 1.00 23.31 C ATOM 560 O ASN A 430 2.538 -12.296 -6.340 1.00 41.44 O ATOM 561 CB ASN A 430 1.861 -15.115 -7.593 1.00 34.14 C ATOM 562 CG ASN A 430 0.453 -15.753 -7.657 1.00 23.22 C ATOM 563 OD1 ASN A 430 0.024 -16.181 -8.724 1.00 53.15 O ATOM 564 ND2 ASN A 430 -0.247 -15.883 -6.515 1.00 64.02 N ATOM 0 H ASN A 430 4.100 -14.264 -8.356 1.00 31.22 H new ATOM 0 HA ASN A 430 1.334 -13.575 -9.097 1.00 4.44 H new ATOM 0 HB2 ASN A 430 2.567 -15.801 -8.060 1.00 34.14 H new ATOM 0 HB3 ASN A 430 2.148 -15.027 -6.545 1.00 34.14 H new ATOM 0 HD21 ASN A 430 -1.156 -16.346 -6.524 1.00 64.02 H new ATOM 0 HD22 ASN A 430 0.131 -15.519 -5.641 1.00 64.02 H new ATOM 571 N VAL A 431 0.472 -11.868 -7.239 1.00 71.44 N ATOM 572 CA VAL A 431 0.064 -10.876 -6.149 1.00 4.43 C ATOM 573 C VAL A 431 -0.414 -11.652 -4.879 1.00 72.11 C ATOM 574 O VAL A 431 -0.965 -12.749 -5.023 1.00 23.10 O ATOM 575 CB VAL A 431 -1.109 -9.826 -6.474 1.00 42.21 C ATOM 576 CG1 VAL A 431 -0.840 -8.871 -7.644 1.00 20.42 C ATOM 577 CG2 VAL A 431 -2.517 -10.443 -6.636 1.00 61.22 C ATOM 0 H VAL A 431 -0.217 -11.977 -7.984 1.00 71.44 H new ATOM 0 HA VAL A 431 0.976 -10.292 -6.027 1.00 4.43 H new ATOM 0 HB VAL A 431 -1.101 -9.235 -5.558 1.00 42.21 H new ATOM 0 HG11 VAL A 431 -1.694 -8.207 -7.776 1.00 20.42 H new ATOM 0 HG12 VAL A 431 0.050 -8.279 -7.433 1.00 20.42 H new ATOM 0 HG13 VAL A 431 -0.685 -9.448 -8.556 1.00 20.42 H new ATOM 0 HG21 VAL A 431 -3.237 -9.654 -6.853 1.00 61.22 H new ATOM 0 HG22 VAL A 431 -2.507 -11.161 -7.456 1.00 61.22 H new ATOM 0 HG23 VAL A 431 -2.801 -10.949 -5.713 1.00 61.22 H new ATOM 587 N ILE A 432 -0.157 -11.157 -3.632 1.00 41.22 N ATOM 588 CA ILE A 432 -0.989 -11.675 -2.460 1.00 62.41 C ATOM 589 C ILE A 432 -1.807 -10.541 -1.760 1.00 45.11 C ATOM 590 O ILE A 432 -3.026 -10.681 -1.644 1.00 45.13 O ATOM 591 CB ILE A 432 -0.291 -12.695 -1.414 1.00 2.14 C ATOM 592 CG1 ILE A 432 0.966 -13.428 -1.994 1.00 73.22 C ATOM 593 CG2 ILE A 432 -1.284 -13.816 -1.023 1.00 40.23 C ATOM 594 CD1 ILE A 432 1.544 -14.602 -1.136 1.00 73.34 C ATOM 0 H ILE A 432 0.552 -10.460 -3.403 1.00 41.22 H new ATOM 0 HA ILE A 432 -1.687 -12.344 -2.963 1.00 62.41 H new ATOM 0 HB ILE A 432 0.008 -12.073 -0.570 1.00 2.14 H new ATOM 0 HG12 ILE A 432 0.710 -13.819 -2.979 1.00 73.22 H new ATOM 0 HG13 ILE A 432 1.755 -12.690 -2.139 1.00 73.22 H new ATOM 0 HG21 ILE A 432 -0.805 -14.497 -0.319 1.00 40.23 H new ATOM 0 HG22 ILE A 432 -2.166 -13.375 -0.558 1.00 40.23 H new ATOM 0 HG23 ILE A 432 -1.581 -14.367 -1.916 1.00 40.23 H new ATOM 0 HD11 ILE A 432 2.410 -15.029 -1.641 1.00 73.34 H new ATOM 0 HD12 ILE A 432 1.843 -14.225 -0.158 1.00 73.34 H new ATOM 0 HD13 ILE A 432 0.782 -15.371 -1.011 1.00 73.34 H new ATOM 606 N SER A 433 -1.167 -9.418 -1.302 1.00 21.24 N ATOM 607 CA SER A 433 -1.932 -8.257 -0.675 1.00 60.23 C ATOM 608 C SER A 433 -1.258 -6.830 -0.945 1.00 5.11 C ATOM 609 O SER A 433 -0.027 -6.772 -0.914 1.00 62.12 O ATOM 610 CB SER A 433 -2.026 -8.479 0.870 1.00 52.43 C ATOM 611 OG SER A 433 -2.858 -9.586 1.179 1.00 21.35 O ATOM 0 H SER A 433 -0.157 -9.281 -1.346 1.00 21.24 H new ATOM 0 HA SER A 433 -2.917 -8.243 -1.141 1.00 60.23 H new ATOM 0 HB2 SER A 433 -1.029 -8.645 1.278 1.00 52.43 H new ATOM 0 HB3 SER A 433 -2.419 -7.581 1.346 1.00 52.43 H new ATOM 0 HG SER A 433 -3.159 -10.011 0.349 1.00 21.35 H new ATOM 617 N ALA A 434 -2.032 -5.674 -1.234 1.00 20.14 N ATOM 618 CA ALA A 434 -1.429 -4.259 -1.136 1.00 4.34 C ATOM 619 C ALA A 434 -2.427 -3.148 -0.815 1.00 72.32 C ATOM 620 O ALA A 434 -3.606 -3.230 -1.160 1.00 55.33 O ATOM 621 CB ALA A 434 -0.705 -3.795 -2.411 1.00 14.23 C ATOM 0 H ALA A 434 -3.011 -5.698 -1.518 1.00 20.14 H new ATOM 0 HA ALA A 434 -0.733 -4.394 -0.308 1.00 4.34 H new ATOM 0 HB1 ALA A 434 -0.310 -2.790 -2.260 1.00 14.23 H new ATOM 0 HB2 ALA A 434 0.115 -4.478 -2.633 1.00 14.23 H new ATOM 0 HB3 ALA A 434 -1.406 -3.787 -3.245 1.00 14.23 H new ATOM 627 N LYS A 435 -1.901 -2.089 -0.145 1.00 40.31 N ATOM 628 CA LYS A 435 -2.632 -0.818 0.067 1.00 10.53 C ATOM 629 C LYS A 435 -1.617 0.381 0.183 1.00 73.13 C ATOM 630 O LYS A 435 -0.561 0.190 0.802 1.00 24.43 O ATOM 631 CB LYS A 435 -3.497 -0.943 1.342 1.00 12.02 C ATOM 632 CG LYS A 435 -2.785 -1.603 2.535 1.00 25.41 C ATOM 633 CD LYS A 435 -2.713 -0.713 3.781 1.00 3.35 C ATOM 634 CE LYS A 435 -4.084 -0.239 4.244 1.00 62.32 C ATOM 635 NZ LYS A 435 -5.022 -1.377 4.474 1.00 42.43 N ATOM 0 H LYS A 435 -0.965 -2.095 0.260 1.00 40.31 H new ATOM 0 HA LYS A 435 -3.283 -0.618 -0.784 1.00 10.53 H new ATOM 0 HB2 LYS A 435 -3.830 0.052 1.639 1.00 12.02 H new ATOM 0 HB3 LYS A 435 -4.391 -1.520 1.104 1.00 12.02 H new ATOM 0 HG2 LYS A 435 -3.303 -2.527 2.790 1.00 25.41 H new ATOM 0 HG3 LYS A 435 -1.773 -1.877 2.236 1.00 25.41 H new ATOM 0 HD2 LYS A 435 -2.232 -1.264 4.589 1.00 3.35 H new ATOM 0 HD3 LYS A 435 -2.086 0.153 3.568 1.00 3.35 H new ATOM 0 HE2 LYS A 435 -3.977 0.334 5.165 1.00 62.32 H new ATOM 0 HE3 LYS A 435 -4.506 0.433 3.497 1.00 62.32 H new ATOM 0 HZ1 LYS A 435 -5.701 -1.122 5.220 1.00 42.43 H new ATOM 0 HZ2 LYS A 435 -5.536 -1.586 3.594 1.00 42.43 H new ATOM 0 HZ3 LYS A 435 -4.484 -2.217 4.768 1.00 42.43 H new ATOM 649 N VAL A 436 -1.873 1.606 -0.408 1.00 23.51 N ATOM 650 CA VAL A 436 -0.963 2.767 -0.132 1.00 52.42 C ATOM 651 C VAL A 436 -1.411 3.514 1.137 1.00 22.22 C ATOM 652 O VAL A 436 -2.486 4.127 1.120 1.00 43.44 O ATOM 653 CB VAL A 436 -0.800 3.843 -1.328 1.00 10.13 C ATOM 654 CG1 VAL A 436 0.363 3.509 -2.232 1.00 34.10 C ATOM 655 CG2 VAL A 436 -2.015 4.039 -2.241 1.00 50.53 C ATOM 0 H VAL A 436 -2.652 1.801 -1.037 1.00 23.51 H new ATOM 0 HA VAL A 436 0.016 2.304 -0.010 1.00 52.42 H new ATOM 0 HB VAL A 436 -0.649 4.769 -0.773 1.00 10.13 H new ATOM 0 HG11 VAL A 436 0.437 4.257 -3.022 1.00 34.10 H new ATOM 0 HG12 VAL A 436 1.285 3.503 -1.651 1.00 34.10 H new ATOM 0 HG13 VAL A 436 0.208 2.526 -2.677 1.00 34.10 H new ATOM 0 HG21 VAL A 436 -1.782 4.784 -3.002 1.00 50.53 H new ATOM 0 HG22 VAL A 436 -2.264 3.094 -2.723 1.00 50.53 H new ATOM 0 HG23 VAL A 436 -2.864 4.379 -1.648 1.00 50.53 H new ATOM 665 N PHE A 437 -0.628 3.467 2.264 1.00 51.22 N ATOM 666 CA PHE A 437 -0.941 4.362 3.344 1.00 51.31 C ATOM 667 C PHE A 437 -0.141 5.661 3.186 1.00 5.13 C ATOM 668 O PHE A 437 1.064 5.747 3.438 1.00 4.22 O ATOM 669 CB PHE A 437 -0.827 3.726 4.771 1.00 72.33 C ATOM 670 CG PHE A 437 0.534 3.398 5.363 1.00 22.35 C ATOM 671 CD1 PHE A 437 1.355 2.394 4.848 1.00 62.44 C ATOM 672 CD2 PHE A 437 0.942 4.055 6.514 1.00 74.32 C ATOM 673 CE1 PHE A 437 2.550 2.078 5.469 1.00 44.41 C ATOM 674 CE2 PHE A 437 2.136 3.744 7.123 1.00 42.21 C ATOM 675 CZ PHE A 437 2.941 2.754 6.607 1.00 20.12 C ATOM 0 H PHE A 437 0.169 2.847 2.411 1.00 51.22 H new ATOM 0 HA PHE A 437 -2.002 4.600 3.270 1.00 51.31 H new ATOM 0 HB2 PHE A 437 -1.325 4.402 5.465 1.00 72.33 H new ATOM 0 HB3 PHE A 437 -1.404 2.801 4.758 1.00 72.33 H new ATOM 0 HD1 PHE A 437 1.055 1.860 3.958 1.00 62.44 H new ATOM 0 HD2 PHE A 437 0.313 4.823 6.939 1.00 74.32 H new ATOM 0 HE1 PHE A 437 3.179 1.300 5.062 1.00 44.41 H new ATOM 0 HE2 PHE A 437 2.443 4.279 8.010 1.00 42.21 H new ATOM 0 HZ PHE A 437 3.875 2.507 7.091 1.00 20.12 H new ATOM 846 N PHE A 448 4.023 5.335 0.664 1.00 24.31 N ATOM 847 CA PHE A 448 4.395 3.955 1.046 1.00 12.51 C ATOM 848 C PHE A 448 3.298 2.931 0.591 1.00 51.13 C ATOM 849 O PHE A 448 2.156 3.010 1.040 1.00 5.41 O ATOM 850 CB PHE A 448 4.582 3.939 2.599 1.00 62.44 C ATOM 851 CG PHE A 448 5.377 2.771 3.207 1.00 63.14 C ATOM 852 CD1 PHE A 448 5.677 1.579 2.520 1.00 63.04 C ATOM 853 CD2 PHE A 448 5.850 2.889 4.507 1.00 51.10 C ATOM 854 CE1 PHE A 448 6.416 0.575 3.117 1.00 72.12 C ATOM 855 CE2 PHE A 448 6.579 1.880 5.102 1.00 25.44 C ATOM 856 CZ PHE A 448 6.861 0.726 4.407 1.00 11.13 C ATOM 0 HA PHE A 448 5.319 3.655 0.552 1.00 12.51 H new ATOM 0 HB2 PHE A 448 5.075 4.867 2.888 1.00 62.44 H new ATOM 0 HB3 PHE A 448 3.593 3.947 3.057 1.00 62.44 H new ATOM 0 HD1 PHE A 448 5.323 1.447 1.508 1.00 63.04 H new ATOM 0 HD2 PHE A 448 5.643 3.790 5.065 1.00 51.10 H new ATOM 0 HE1 PHE A 448 6.643 -0.328 2.569 1.00 72.12 H new ATOM 0 HE2 PHE A 448 6.930 1.996 6.117 1.00 25.44 H new ATOM 0 HZ PHE A 448 7.432 -0.061 4.877 1.00 11.13 H new ATOM 866 N GLY A 449 3.681 1.990 -0.301 1.00 51.41 N ATOM 867 CA GLY A 449 2.913 0.723 -0.556 1.00 2.25 C ATOM 868 C GLY A 449 3.810 -0.509 -0.342 1.00 10.45 C ATOM 869 O GLY A 449 5.041 -0.358 -0.347 1.00 73.43 O ATOM 0 H GLY A 449 4.525 2.074 -0.868 1.00 51.41 H new ATOM 0 HA2 GLY A 449 2.053 0.673 0.111 1.00 2.25 H new ATOM 0 HA3 GLY A 449 2.526 0.725 -1.575 1.00 2.25 H new ATOM 873 N PHE A 450 3.229 -1.721 -0.191 1.00 50.01 N ATOM 874 CA PHE A 450 4.058 -2.891 0.288 1.00 23.31 C ATOM 875 C PHE A 450 3.421 -4.200 -0.215 1.00 72.12 C ATOM 876 O PHE A 450 2.188 -4.296 -0.191 1.00 12.23 O ATOM 877 CB PHE A 450 4.362 -2.846 1.862 1.00 52.33 C ATOM 878 CG PHE A 450 3.331 -3.412 2.858 1.00 32.41 C ATOM 879 CD1 PHE A 450 3.057 -4.784 2.940 1.00 55.40 C ATOM 880 CD2 PHE A 450 2.652 -2.563 3.749 1.00 60.02 C ATOM 881 CE1 PHE A 450 2.143 -5.273 3.851 1.00 31.32 C ATOM 882 CE2 PHE A 450 1.744 -3.065 4.657 1.00 74.31 C ATOM 883 CZ PHE A 450 1.488 -4.417 4.703 1.00 53.41 C ATOM 0 H PHE A 450 2.247 -1.927 -0.377 1.00 50.01 H new ATOM 0 HA PHE A 450 5.055 -2.829 -0.148 1.00 23.31 H new ATOM 0 HB2 PHE A 450 5.299 -3.377 2.027 1.00 52.33 H new ATOM 0 HB3 PHE A 450 4.535 -1.804 2.130 1.00 52.33 H new ATOM 0 HD1 PHE A 450 3.569 -5.469 2.280 1.00 55.40 H new ATOM 0 HD2 PHE A 450 2.845 -1.501 3.722 1.00 60.02 H new ATOM 0 HE1 PHE A 450 1.942 -6.333 3.894 1.00 31.32 H new ATOM 0 HE2 PHE A 450 1.233 -2.396 5.334 1.00 74.31 H new ATOM 0 HZ PHE A 450 0.771 -4.806 5.411 1.00 53.41 H new ATOM 893 N VAL A 451 4.198 -5.233 -0.690 1.00 52.44 N ATOM 894 CA VAL A 451 3.519 -6.287 -1.487 1.00 70.31 C ATOM 895 C VAL A 451 4.285 -7.649 -1.490 1.00 72.31 C ATOM 896 O VAL A 451 5.512 -7.662 -1.350 1.00 45.01 O ATOM 897 CB VAL A 451 3.088 -5.684 -2.935 1.00 4.10 C ATOM 898 CG1 VAL A 451 4.105 -4.722 -3.573 1.00 65.10 C ATOM 899 CG2 VAL A 451 2.751 -6.702 -4.016 1.00 64.10 C ATOM 0 H VAL A 451 5.202 -5.347 -0.547 1.00 52.44 H new ATOM 0 HA VAL A 451 2.586 -6.572 -1.001 1.00 70.31 H new ATOM 0 HB VAL A 451 2.185 -5.153 -2.634 1.00 4.10 H new ATOM 0 HG11 VAL A 451 3.725 -4.376 -4.534 1.00 65.10 H new ATOM 0 HG12 VAL A 451 4.260 -3.867 -2.915 1.00 65.10 H new ATOM 0 HG13 VAL A 451 5.052 -5.241 -3.723 1.00 65.10 H new ATOM 0 HG21 VAL A 451 2.479 -6.181 -4.934 1.00 64.10 H new ATOM 0 HG22 VAL A 451 3.618 -7.336 -4.202 1.00 64.10 H new ATOM 0 HG23 VAL A 451 1.914 -7.318 -3.687 1.00 64.10 H new ATOM 909 N SER A 452 3.538 -8.802 -1.609 1.00 23.41 N ATOM 910 CA SER A 452 4.048 -10.122 -1.339 1.00 72.22 C ATOM 911 C SER A 452 4.404 -10.818 -2.663 1.00 73.12 C ATOM 912 O SER A 452 3.535 -10.939 -3.530 1.00 62.25 O ATOM 913 CB SER A 452 2.913 -10.881 -0.598 1.00 12.33 C ATOM 914 OG SER A 452 2.872 -10.536 0.766 1.00 35.33 O ATOM 0 H SER A 452 2.560 -8.799 -1.900 1.00 23.41 H new ATOM 0 HA SER A 452 4.953 -10.096 -0.732 1.00 72.22 H new ATOM 0 HB2 SER A 452 1.955 -10.650 -1.063 1.00 12.33 H new ATOM 0 HB3 SER A 452 3.065 -11.956 -0.699 1.00 12.33 H new ATOM 0 HG SER A 452 3.011 -11.339 1.311 1.00 35.33 H new ATOM 920 N TYR A 453 5.679 -11.241 -2.848 1.00 52.21 N ATOM 921 CA TYR A 453 6.064 -11.891 -4.104 1.00 74.32 C ATOM 922 C TYR A 453 6.439 -13.353 -3.703 1.00 32.13 C ATOM 923 O TYR A 453 7.317 -13.457 -2.840 1.00 71.21 O ATOM 924 CB TYR A 453 7.255 -10.945 -4.616 1.00 41.31 C ATOM 925 CG TYR A 453 7.474 -10.678 -6.110 1.00 62.45 C ATOM 926 CD1 TYR A 453 6.532 -10.039 -6.911 1.00 20.23 C ATOM 927 CD2 TYR A 453 8.714 -10.914 -6.669 1.00 54.00 C ATOM 928 CE1 TYR A 453 6.822 -9.689 -8.211 1.00 50.31 C ATOM 929 CE2 TYR A 453 8.987 -10.578 -7.985 1.00 41.41 C ATOM 930 CZ TYR A 453 8.043 -9.960 -8.736 1.00 41.10 C ATOM 931 OH TYR A 453 8.336 -9.574 -10.008 1.00 51.33 O ATOM 0 H TYR A 453 6.428 -11.144 -2.163 1.00 52.21 H new ATOM 0 HA TYR A 453 5.335 -11.989 -4.909 1.00 74.32 H new ATOM 0 HB2 TYR A 453 7.119 -9.976 -4.136 1.00 41.31 H new ATOM 0 HB3 TYR A 453 8.183 -11.365 -4.229 1.00 41.31 H new ATOM 0 HD1 TYR A 453 5.557 -9.814 -6.506 1.00 20.23 H new ATOM 0 HD2 TYR A 453 9.487 -11.370 -6.068 1.00 54.00 H new ATOM 0 HE1 TYR A 453 6.074 -9.197 -8.815 1.00 50.31 H new ATOM 0 HE2 TYR A 453 9.952 -10.808 -8.412 1.00 41.41 H new ATOM 0 HH TYR A 453 9.252 -9.844 -10.229 1.00 51.33 H new ATOM 941 N ASP A 454 5.772 -14.481 -4.306 1.00 54.05 N ATOM 942 CA ASP A 454 5.915 -15.912 -3.816 1.00 3.33 C ATOM 943 C ASP A 454 7.240 -16.289 -3.151 1.00 61.35 C ATOM 944 O ASP A 454 7.265 -16.503 -1.933 1.00 33.40 O ATOM 945 CB ASP A 454 5.638 -16.954 -4.932 1.00 65.34 C ATOM 946 CG ASP A 454 4.189 -17.008 -5.370 1.00 15.55 C ATOM 947 OD1 ASP A 454 3.284 -16.798 -4.519 1.00 31.32 O ATOM 948 OD2 ASP A 454 3.954 -17.269 -6.564 1.00 75.25 O ATOM 0 H ASP A 454 5.153 -14.390 -5.111 1.00 54.05 H new ATOM 0 HA ASP A 454 5.153 -15.943 -3.037 1.00 3.33 H new ATOM 0 HB2 ASP A 454 6.261 -16.722 -5.796 1.00 65.34 H new ATOM 0 HB3 ASP A 454 5.938 -17.940 -4.578 1.00 65.34 H new ATOM 953 N ASN A 455 8.326 -16.366 -3.929 1.00 51.12 N ATOM 954 CA ASN A 455 9.592 -16.816 -3.375 1.00 60.14 C ATOM 955 C ASN A 455 10.766 -16.160 -4.108 1.00 71.54 C ATOM 956 O ASN A 455 10.629 -15.912 -5.303 1.00 23.43 O ATOM 957 CB ASN A 455 9.658 -18.371 -3.422 1.00 63.50 C ATOM 958 CG ASN A 455 10.471 -18.939 -2.263 1.00 42.31 C ATOM 959 OD1 ASN A 455 11.660 -19.230 -2.390 1.00 51.03 O ATOM 960 ND2 ASN A 455 9.820 -19.078 -1.114 1.00 71.22 N ATOM 0 H ASN A 455 8.348 -16.127 -4.920 1.00 51.12 H new ATOM 0 HA ASN A 455 9.665 -16.510 -2.331 1.00 60.14 H new ATOM 0 HB2 ASN A 455 8.648 -18.779 -3.391 1.00 63.50 H new ATOM 0 HB3 ASN A 455 10.101 -18.688 -4.366 1.00 63.50 H new ATOM 0 HD21 ASN A 455 10.306 -19.438 -0.293 1.00 71.22 H new ATOM 0 HD22 ASN A 455 8.834 -18.824 -1.053 1.00 71.22 H new ATOM 967 N PRO A 456 11.892 -15.802 -3.395 1.00 53.24 N ATOM 968 CA PRO A 456 13.096 -15.107 -3.949 1.00 13.20 C ATOM 969 C PRO A 456 13.627 -15.393 -5.409 1.00 31.23 C ATOM 970 O PRO A 456 14.464 -14.608 -5.849 1.00 60.00 O ATOM 971 CB PRO A 456 14.199 -15.386 -2.905 1.00 12.14 C ATOM 972 CG PRO A 456 13.542 -16.162 -1.796 1.00 14.05 C ATOM 973 CD PRO A 456 12.071 -15.902 -1.920 1.00 42.53 C ATOM 0 HA PRO A 456 12.788 -14.073 -4.102 1.00 13.20 H new ATOM 0 HB2 PRO A 456 15.017 -15.955 -3.346 1.00 12.14 H new ATOM 0 HB3 PRO A 456 14.624 -14.455 -2.530 1.00 12.14 H new ATOM 0 HG2 PRO A 456 13.758 -17.227 -1.884 1.00 14.05 H new ATOM 0 HG3 PRO A 456 13.914 -15.841 -0.823 1.00 14.05 H new ATOM 0 HD2 PRO A 456 11.477 -16.710 -1.492 1.00 42.53 H new ATOM 0 HD3 PRO A 456 11.775 -14.985 -1.411 1.00 42.53 H new ATOM 981 N VAL A 457 13.199 -16.449 -6.184 1.00 52.31 N ATOM 982 CA VAL A 457 13.733 -16.615 -7.560 1.00 13.45 C ATOM 983 C VAL A 457 13.004 -15.672 -8.561 1.00 74.34 C ATOM 984 O VAL A 457 13.484 -15.488 -9.685 1.00 62.41 O ATOM 985 CB VAL A 457 13.893 -18.100 -8.116 1.00 52.44 C ATOM 986 CG1 VAL A 457 14.929 -18.888 -7.308 1.00 1.50 C ATOM 987 CG2 VAL A 457 12.596 -18.905 -8.209 1.00 32.52 C ATOM 0 H VAL A 457 12.524 -17.154 -5.889 1.00 52.31 H new ATOM 0 HA VAL A 457 14.775 -16.308 -7.466 1.00 13.45 H new ATOM 0 HB VAL A 457 14.235 -17.963 -9.142 1.00 52.44 H new ATOM 0 HG11 VAL A 457 15.015 -19.897 -7.712 1.00 1.50 H new ATOM 0 HG12 VAL A 457 15.896 -18.388 -7.371 1.00 1.50 H new ATOM 0 HG13 VAL A 457 14.614 -18.940 -6.266 1.00 1.50 H new ATOM 0 HG21 VAL A 457 12.812 -19.900 -8.598 1.00 32.52 H new ATOM 0 HG22 VAL A 457 12.150 -18.992 -7.218 1.00 32.52 H new ATOM 0 HG23 VAL A 457 11.900 -18.398 -8.877 1.00 32.52 H new ATOM 997 N SER A 458 11.849 -15.068 -8.163 1.00 65.52 N ATOM 998 CA SER A 458 11.288 -13.930 -8.893 1.00 41.21 C ATOM 999 C SER A 458 11.848 -12.560 -8.357 1.00 4.34 C ATOM 1000 O SER A 458 11.786 -11.587 -9.115 1.00 51.52 O ATOM 1001 CB SER A 458 9.716 -13.946 -8.904 1.00 11.22 C ATOM 1002 OG SER A 458 9.198 -14.100 -7.589 1.00 53.10 O ATOM 0 H SER A 458 11.306 -15.357 -7.349 1.00 65.52 H new ATOM 0 HA SER A 458 11.613 -14.033 -9.928 1.00 41.21 H new ATOM 0 HB2 SER A 458 9.343 -13.019 -9.339 1.00 11.22 H new ATOM 0 HB3 SER A 458 9.362 -14.760 -9.536 1.00 11.22 H new ATOM 0 HG SER A 458 9.004 -13.218 -7.208 1.00 53.10 H new ATOM 1008 N ALA A 459 12.436 -12.494 -7.073 1.00 52.05 N ATOM 1009 CA ALA A 459 12.736 -11.213 -6.365 1.00 2.53 C ATOM 1010 C ALA A 459 13.619 -10.224 -7.186 1.00 61.32 C ATOM 1011 O ALA A 459 13.186 -9.135 -7.569 1.00 25.10 O ATOM 1012 CB ALA A 459 13.473 -11.470 -5.047 1.00 63.20 C ATOM 0 H ALA A 459 12.697 -13.323 -6.540 1.00 52.05 H new ATOM 0 HA ALA A 459 11.757 -10.761 -6.203 1.00 2.53 H new ATOM 0 HB1 ALA A 459 13.678 -10.520 -4.554 1.00 63.20 H new ATOM 0 HB2 ALA A 459 12.853 -12.089 -4.398 1.00 63.20 H new ATOM 0 HB3 ALA A 459 14.413 -11.984 -5.250 1.00 63.20 H new ATOM 1018 N GLN A 460 14.836 -10.699 -7.520 1.00 4.10 N ATOM 1019 CA GLN A 460 15.955 -9.891 -8.026 1.00 63.54 C ATOM 1020 C GLN A 460 15.743 -9.373 -9.475 1.00 20.05 C ATOM 1021 O GLN A 460 16.282 -8.313 -9.833 1.00 73.31 O ATOM 1022 CB GLN A 460 17.261 -10.723 -7.890 1.00 24.32 C ATOM 1023 CG GLN A 460 17.655 -11.073 -6.428 1.00 32.43 C ATOM 1024 CD GLN A 460 18.639 -12.228 -6.320 1.00 31.13 C ATOM 1025 OE1 GLN A 460 18.706 -13.106 -7.179 1.00 1.30 O ATOM 1026 NE2 GLN A 460 19.364 -12.255 -5.215 1.00 62.33 N ATOM 0 H GLN A 460 15.071 -11.688 -7.441 1.00 4.10 H new ATOM 0 HA GLN A 460 16.024 -8.986 -7.422 1.00 63.54 H new ATOM 0 HB2 GLN A 460 17.147 -11.649 -8.453 1.00 24.32 H new ATOM 0 HB3 GLN A 460 18.079 -10.169 -8.350 1.00 24.32 H new ATOM 0 HG2 GLN A 460 18.090 -10.191 -5.957 1.00 32.43 H new ATOM 0 HG3 GLN A 460 16.754 -11.321 -5.868 1.00 32.43 H new ATOM 0 HE21 GLN A 460 19.276 -11.505 -4.529 1.00 62.33 H new ATOM 0 HE22 GLN A 460 20.011 -13.026 -5.048 1.00 62.33 H new ATOM 1035 N ALA A 461 14.968 -10.107 -10.307 1.00 32.31 N ATOM 1036 CA ALA A 461 14.716 -9.696 -11.679 1.00 22.54 C ATOM 1037 C ALA A 461 13.728 -8.407 -11.868 1.00 14.45 C ATOM 1038 O ALA A 461 13.878 -7.735 -12.885 1.00 11.00 O ATOM 1039 CB ALA A 461 14.417 -10.977 -12.516 1.00 12.34 C ATOM 0 H ALA A 461 14.515 -10.981 -10.039 1.00 32.31 H new ATOM 0 HA ALA A 461 15.613 -9.241 -12.098 1.00 22.54 H new ATOM 0 HB1 ALA A 461 14.224 -10.698 -13.552 1.00 12.34 H new ATOM 0 HB2 ALA A 461 15.276 -11.647 -12.475 1.00 12.34 H new ATOM 0 HB3 ALA A 461 13.542 -11.483 -12.107 1.00 12.34 H new ATOM 1045 N ALA A 462 12.743 -8.047 -10.928 1.00 74.24 N ATOM 1046 CA ALA A 462 12.018 -6.675 -10.911 1.00 11.13 C ATOM 1047 C ALA A 462 12.767 -5.580 -10.079 1.00 31.30 C ATOM 1048 O ALA A 462 12.783 -4.438 -10.533 1.00 0.25 O ATOM 1049 CB ALA A 462 10.497 -6.706 -10.478 1.00 60.40 C ATOM 0 H ALA A 462 12.436 -8.674 -10.184 1.00 74.24 H new ATOM 0 HA ALA A 462 12.039 -6.403 -11.966 1.00 11.13 H new ATOM 0 HB1 ALA A 462 10.091 -5.695 -10.502 1.00 60.40 H new ATOM 0 HB2 ALA A 462 9.936 -7.338 -11.166 1.00 60.40 H new ATOM 0 HB3 ALA A 462 10.414 -7.106 -9.468 1.00 60.40 H new ATOM 1055 N ILE A 463 13.339 -5.916 -8.863 1.00 34.00 N ATOM 1056 CA ILE A 463 14.173 -4.988 -8.011 1.00 24.13 C ATOM 1057 C ILE A 463 15.120 -3.984 -8.828 1.00 12.32 C ATOM 1058 O ILE A 463 15.046 -2.783 -8.545 1.00 23.14 O ATOM 1059 CB ILE A 463 14.951 -5.758 -6.790 1.00 55.22 C ATOM 1060 CG1 ILE A 463 14.036 -6.289 -5.604 1.00 13.44 C ATOM 1061 CG2 ILE A 463 16.052 -4.875 -6.158 1.00 43.23 C ATOM 1062 CD1 ILE A 463 12.512 -6.443 -5.800 1.00 20.34 C ATOM 0 H ILE A 463 13.231 -6.842 -8.449 1.00 34.00 H new ATOM 0 HA ILE A 463 13.439 -4.333 -7.541 1.00 24.13 H new ATOM 0 HB ILE A 463 15.368 -6.629 -7.296 1.00 55.22 H new ATOM 0 HG12 ILE A 463 14.423 -7.265 -5.311 1.00 13.44 H new ATOM 0 HG13 ILE A 463 14.186 -5.619 -4.757 1.00 13.44 H new ATOM 0 HG21 ILE A 463 16.542 -5.424 -5.354 1.00 43.23 H new ATOM 0 HG22 ILE A 463 16.788 -4.611 -6.918 1.00 43.23 H new ATOM 0 HG23 ILE A 463 15.604 -3.966 -5.756 1.00 43.23 H new ATOM 0 HD11 ILE A 463 12.063 -6.817 -4.880 1.00 20.34 H new ATOM 0 HD12 ILE A 463 12.077 -5.475 -6.048 1.00 20.34 H new ATOM 0 HD13 ILE A 463 12.319 -7.146 -6.610 1.00 20.34 H new ATOM 1074 N GLN A 464 15.974 -4.402 -9.829 1.00 1.32 N ATOM 1075 CA GLN A 464 16.694 -3.394 -10.699 1.00 31.13 C ATOM 1076 C GLN A 464 15.982 -2.953 -12.030 1.00 2.21 C ATOM 1077 O GLN A 464 16.296 -1.854 -12.495 1.00 23.11 O ATOM 1078 CB GLN A 464 18.221 -3.712 -10.943 1.00 41.42 C ATOM 1079 CG GLN A 464 19.177 -2.849 -10.090 1.00 1.32 C ATOM 1080 CD GLN A 464 19.153 -3.165 -8.599 1.00 43.35 C ATOM 1081 OE1 GLN A 464 18.936 -4.423 -8.250 1.00 63.03 O flip ATOM 1082 NE2 GLN A 464 19.364 -2.282 -7.767 1.00 42.54 N flip ATOM 0 H GLN A 464 16.174 -5.378 -10.047 1.00 1.32 H new ATOM 0 HA GLN A 464 16.636 -2.513 -10.059 1.00 31.13 H new ATOM 0 HB2 GLN A 464 18.403 -4.764 -10.726 1.00 41.42 H new ATOM 0 HB3 GLN A 464 18.451 -3.560 -11.998 1.00 41.42 H new ATOM 0 HG2 GLN A 464 20.194 -2.981 -10.460 1.00 1.32 H new ATOM 0 HG3 GLN A 464 18.921 -1.799 -10.230 1.00 1.32 H new ATOM 0 HE21 GLN A 464 19.527 -1.322 -8.072 1.00 42.54 H new ATOM 0 HE22 GLN A 464 19.375 -2.510 -6.773 1.00 42.54 H new ATOM 1091 N ALA A 465 15.055 -3.748 -12.670 1.00 70.13 N ATOM 1092 CA ALA A 465 14.233 -3.233 -13.840 1.00 14.32 C ATOM 1093 C ALA A 465 13.326 -1.993 -13.529 1.00 13.54 C ATOM 1094 O ALA A 465 12.757 -1.409 -14.451 1.00 51.01 O ATOM 1095 CB ALA A 465 13.381 -4.331 -14.547 1.00 61.42 C ATOM 0 H ALA A 465 14.859 -4.715 -12.411 1.00 70.13 H new ATOM 0 HA ALA A 465 15.011 -2.897 -14.526 1.00 14.32 H new ATOM 0 HB1 ALA A 465 12.823 -3.885 -15.371 1.00 61.42 H new ATOM 0 HB2 ALA A 465 14.039 -5.109 -14.934 1.00 61.42 H new ATOM 0 HB3 ALA A 465 12.684 -4.768 -13.832 1.00 61.42 H new ATOM 1101 N MET A 466 13.214 -1.582 -12.260 1.00 60.13 N ATOM 1102 CA MET A 466 12.311 -0.494 -11.860 1.00 21.02 C ATOM 1103 C MET A 466 13.098 0.682 -11.170 1.00 34.22 C ATOM 1104 O MET A 466 12.488 1.672 -10.774 1.00 75.52 O ATOM 1105 CB MET A 466 11.195 -1.108 -10.948 1.00 73.33 C ATOM 1106 CG MET A 466 9.872 -0.323 -10.771 1.00 14.25 C ATOM 1107 SD MET A 466 8.645 -0.683 -12.063 1.00 40.53 S ATOM 1108 CE MET A 466 9.343 0.124 -13.504 1.00 32.23 C ATOM 0 H MET A 466 13.741 -1.989 -11.487 1.00 60.13 H new ATOM 0 HA MET A 466 11.841 -0.044 -12.734 1.00 21.02 H new ATOM 0 HB2 MET A 466 10.946 -2.092 -11.345 1.00 73.33 H new ATOM 0 HB3 MET A 466 11.624 -1.263 -9.958 1.00 73.33 H new ATOM 0 HG2 MET A 466 9.444 -0.560 -9.797 1.00 14.25 H new ATOM 0 HG3 MET A 466 10.088 0.745 -10.772 1.00 14.25 H new ATOM 0 HE1 MET A 466 8.544 0.385 -14.198 1.00 32.23 H new ATOM 0 HE2 MET A 466 9.867 1.029 -13.196 1.00 32.23 H new ATOM 0 HE3 MET A 466 10.044 -0.551 -13.995 1.00 32.23 H new ATOM 1118 N ASN A 467 14.463 0.603 -11.114 1.00 41.14 N ATOM 1119 CA ASN A 467 15.294 1.528 -10.285 1.00 2.11 C ATOM 1120 C ASN A 467 15.521 2.873 -11.016 1.00 4.03 C ATOM 1121 O ASN A 467 16.148 2.849 -12.081 1.00 42.50 O ATOM 1122 CB ASN A 467 16.669 0.855 -9.970 1.00 41.11 C ATOM 1123 CG ASN A 467 17.354 1.494 -8.757 1.00 62.44 C ATOM 1124 OD1 ASN A 467 17.981 2.549 -8.879 1.00 25.22 O ATOM 1125 ND2 ASN A 467 17.288 0.863 -7.580 1.00 1.31 N ATOM 0 H ASN A 467 15.006 -0.088 -11.631 1.00 41.14 H new ATOM 0 HA ASN A 467 14.764 1.731 -9.355 1.00 2.11 H new ATOM 0 HB2 ASN A 467 16.518 -0.208 -9.783 1.00 41.11 H new ATOM 0 HB3 ASN A 467 17.321 0.937 -10.840 1.00 41.11 H new ATOM 0 HD21 ASN A 467 17.761 1.253 -6.765 1.00 1.31 H new ATOM 0 HD22 ASN A 467 16.765 -0.009 -7.497 1.00 1.31 H new ATOM 1132 N GLY A 468 15.005 4.060 -10.509 1.00 71.03 N ATOM 1133 CA GLY A 468 15.428 5.324 -11.121 1.00 15.40 C ATOM 1134 C GLY A 468 14.775 5.612 -12.469 1.00 12.23 C ATOM 1135 O GLY A 468 15.270 6.444 -13.238 1.00 30.02 O ATOM 0 H GLY A 468 14.346 4.138 -9.735 1.00 71.03 H new ATOM 0 HA2 GLY A 468 15.200 6.141 -10.437 1.00 15.40 H new ATOM 0 HA3 GLY A 468 16.510 5.309 -11.249 1.00 15.40 H new ATOM 1139 N PHE A 469 13.668 4.934 -12.733 1.00 44.54 N ATOM 1140 CA PHE A 469 13.090 4.848 -14.064 1.00 31.53 C ATOM 1141 C PHE A 469 12.019 5.949 -14.103 1.00 42.21 C ATOM 1142 O PHE A 469 11.060 5.866 -13.327 1.00 72.14 O ATOM 1143 CB PHE A 469 12.519 3.378 -14.285 1.00 14.12 C ATOM 1144 CG PHE A 469 11.764 3.124 -15.583 1.00 42.22 C ATOM 1145 CD1 PHE A 469 10.423 3.470 -15.708 1.00 54.41 C ATOM 1146 CD2 PHE A 469 12.382 2.501 -16.670 1.00 62.32 C ATOM 1147 CE1 PHE A 469 9.719 3.219 -16.861 1.00 41.01 C ATOM 1148 CE2 PHE A 469 11.673 2.250 -17.837 1.00 13.34 C ATOM 1149 CZ PHE A 469 10.340 2.610 -17.934 1.00 23.22 C ATOM 0 H PHE A 469 13.142 4.424 -12.023 1.00 44.54 H new ATOM 0 HA PHE A 469 13.800 5.007 -14.875 1.00 31.53 H new ATOM 0 HB2 PHE A 469 13.353 2.678 -14.234 1.00 14.12 H new ATOM 0 HB3 PHE A 469 11.855 3.143 -13.454 1.00 14.12 H new ATOM 0 HD1 PHE A 469 9.923 3.948 -14.879 1.00 54.41 H new ATOM 0 HD2 PHE A 469 13.420 2.212 -16.602 1.00 62.32 H new ATOM 0 HE1 PHE A 469 8.678 3.498 -16.928 1.00 41.01 H new ATOM 0 HE2 PHE A 469 12.163 1.772 -18.672 1.00 13.34 H new ATOM 0 HZ PHE A 469 9.789 2.416 -18.843 1.00 23.22 H new ATOM 1159 N GLN A 470 12.191 7.010 -14.939 1.00 23.31 N ATOM 1160 CA GLN A 470 11.279 8.152 -14.870 1.00 34.33 C ATOM 1161 C GLN A 470 9.876 7.812 -15.394 1.00 45.14 C ATOM 1162 O GLN A 470 9.722 7.174 -16.436 1.00 22.44 O ATOM 1163 CB GLN A 470 11.868 9.338 -15.646 1.00 12.43 C ATOM 1164 CG GLN A 470 12.711 10.294 -14.792 1.00 3.05 C ATOM 1165 CD GLN A 470 11.880 11.112 -13.801 1.00 4.51 C ATOM 1166 OE1 GLN A 470 12.355 11.461 -12.720 1.00 54.25 O ATOM 1167 NE2 GLN A 470 10.652 11.466 -14.175 1.00 31.11 N ATOM 0 H GLN A 470 12.929 7.085 -15.639 1.00 23.31 H new ATOM 0 HA GLN A 470 11.169 8.421 -13.820 1.00 34.33 H new ATOM 0 HB2 GLN A 470 12.485 8.955 -16.459 1.00 12.43 H new ATOM 0 HB3 GLN A 470 11.053 9.900 -16.102 1.00 12.43 H new ATOM 0 HG2 GLN A 470 13.456 9.718 -14.243 1.00 3.05 H new ATOM 0 HG3 GLN A 470 13.254 10.974 -15.449 1.00 3.05 H new ATOM 0 HE21 GLN A 470 10.286 11.161 -15.077 1.00 31.11 H new ATOM 0 HE22 GLN A 470 10.078 12.042 -13.560 1.00 31.11 H new ATOM 1176 N ILE A 471 8.864 8.239 -14.620 1.00 45.11 N ATOM 1177 CA ILE A 471 7.448 7.969 -14.895 1.00 22.20 C ATOM 1178 C ILE A 471 6.694 9.303 -14.560 1.00 22.05 C ATOM 1179 O ILE A 471 6.424 9.555 -13.373 1.00 10.11 O ATOM 1180 CB ILE A 471 6.874 6.715 -14.026 1.00 63.25 C ATOM 1181 CG1 ILE A 471 7.421 5.330 -14.543 1.00 13.54 C ATOM 1182 CG2 ILE A 471 5.329 6.670 -13.985 1.00 15.22 C ATOM 1183 CD1 ILE A 471 6.897 4.073 -13.815 1.00 62.50 C ATOM 0 H ILE A 471 9.012 8.789 -13.774 1.00 45.11 H new ATOM 0 HA ILE A 471 7.301 7.674 -15.934 1.00 22.20 H new ATOM 0 HB ILE A 471 7.238 6.883 -13.013 1.00 63.25 H new ATOM 0 HG12 ILE A 471 7.177 5.239 -15.601 1.00 13.54 H new ATOM 0 HG13 ILE A 471 8.508 5.341 -14.467 1.00 13.54 H new ATOM 0 HG21 ILE A 471 5.006 5.814 -13.392 1.00 15.22 H new ATOM 0 HG22 ILE A 471 4.950 7.587 -13.534 1.00 15.22 H new ATOM 0 HG23 ILE A 471 4.941 6.577 -14.999 1.00 15.22 H new ATOM 0 HD11 ILE A 471 7.343 3.183 -14.259 1.00 62.50 H new ATOM 0 HD12 ILE A 471 7.165 4.126 -12.760 1.00 62.50 H new ATOM 0 HD13 ILE A 471 5.813 4.022 -13.912 1.00 62.50 H new ATOM 1195 N GLY A 472 6.445 10.229 -15.556 1.00 64.42 N ATOM 1196 CA GLY A 472 5.736 11.471 -15.230 1.00 12.13 C ATOM 1197 C GLY A 472 6.644 12.455 -14.527 1.00 73.12 C ATOM 1198 O GLY A 472 7.731 12.774 -15.014 1.00 60.33 O ATOM 0 H GLY A 472 6.719 10.125 -16.533 1.00 64.42 H new ATOM 0 HA2 GLY A 472 5.347 11.921 -16.144 1.00 12.13 H new ATOM 0 HA3 GLY A 472 4.879 11.247 -14.595 1.00 12.13 H new ATOM 1202 N MET A 473 6.208 12.889 -13.358 1.00 22.31 N ATOM 1203 CA MET A 473 6.969 13.859 -12.567 1.00 24.32 C ATOM 1204 C MET A 473 7.698 13.216 -11.364 1.00 10.35 C ATOM 1205 O MET A 473 8.206 13.945 -10.501 1.00 63.31 O ATOM 1206 CB MET A 473 6.070 15.044 -12.108 1.00 74.43 C ATOM 1207 CG MET A 473 4.733 14.626 -11.499 1.00 65.42 C ATOM 1208 SD MET A 473 4.163 15.736 -10.198 1.00 22.25 S ATOM 1209 CE MET A 473 3.823 17.231 -11.125 1.00 60.41 C ATOM 0 H MET A 473 5.332 12.590 -12.929 1.00 22.31 H new ATOM 0 HA MET A 473 7.743 14.251 -13.226 1.00 24.32 H new ATOM 0 HB2 MET A 473 6.618 15.637 -11.376 1.00 74.43 H new ATOM 0 HB3 MET A 473 5.878 15.691 -12.964 1.00 74.43 H new ATOM 0 HG2 MET A 473 3.980 14.584 -12.286 1.00 65.42 H new ATOM 0 HG3 MET A 473 4.826 13.619 -11.093 1.00 65.42 H new ATOM 0 HE1 MET A 473 3.462 18.005 -10.448 1.00 60.41 H new ATOM 0 HE2 MET A 473 4.736 17.572 -11.613 1.00 60.41 H new ATOM 0 HE3 MET A 473 3.063 17.026 -11.880 1.00 60.41 H new ATOM 1219 N LYS A 474 7.798 11.866 -11.305 1.00 10.32 N ATOM 1220 CA LYS A 474 8.557 11.201 -10.191 1.00 62.22 C ATOM 1221 C LYS A 474 9.433 10.046 -10.747 1.00 24.42 C ATOM 1222 O LYS A 474 9.227 9.613 -11.883 1.00 41.31 O ATOM 1223 CB LYS A 474 7.655 10.606 -9.035 1.00 11.41 C ATOM 1224 CG LYS A 474 6.568 11.496 -8.362 1.00 74.30 C ATOM 1225 CD LYS A 474 7.124 12.701 -7.570 1.00 12.25 C ATOM 1226 CE LYS A 474 6.174 13.133 -6.452 1.00 54.42 C ATOM 1227 NZ LYS A 474 6.608 14.419 -5.847 1.00 23.45 N ATOM 0 H LYS A 474 7.384 11.227 -11.983 1.00 10.32 H new ATOM 0 HA LYS A 474 9.159 11.999 -9.757 1.00 62.22 H new ATOM 0 HB2 LYS A 474 7.152 9.726 -9.436 1.00 11.41 H new ATOM 0 HB3 LYS A 474 8.324 10.259 -8.247 1.00 11.41 H new ATOM 0 HG2 LYS A 474 5.891 11.865 -9.133 1.00 74.30 H new ATOM 0 HG3 LYS A 474 5.976 10.877 -7.688 1.00 74.30 H new ATOM 0 HD2 LYS A 474 8.092 12.440 -7.143 1.00 12.25 H new ATOM 0 HD3 LYS A 474 7.290 13.537 -8.249 1.00 12.25 H new ATOM 0 HE2 LYS A 474 5.164 13.237 -6.849 1.00 54.42 H new ATOM 0 HE3 LYS A 474 6.137 12.361 -5.684 1.00 54.42 H new ATOM 0 HZ1 LYS A 474 5.946 14.688 -5.092 1.00 23.45 H new ATOM 0 HZ2 LYS A 474 7.562 14.310 -5.448 1.00 23.45 H new ATOM 0 HZ3 LYS A 474 6.620 15.160 -6.577 1.00 23.45 H new ATOM 1241 N ARG A 475 10.408 9.543 -9.937 1.00 22.01 N ATOM 1242 CA ARG A 475 11.195 8.330 -10.311 1.00 42.41 C ATOM 1243 C ARG A 475 11.065 7.273 -9.190 1.00 63.41 C ATOM 1244 O ARG A 475 10.981 7.631 -8.016 1.00 31.21 O ATOM 1245 CB ARG A 475 12.711 8.707 -10.616 1.00 54.15 C ATOM 1246 CG ARG A 475 13.603 9.130 -9.387 1.00 70.43 C ATOM 1247 CD ARG A 475 14.174 10.586 -9.374 1.00 3.31 C ATOM 1248 NE ARG A 475 15.427 10.682 -10.119 1.00 41.41 N ATOM 1249 CZ ARG A 475 16.075 11.825 -10.374 1.00 71.42 C ATOM 1250 NH1 ARG A 475 15.608 12.994 -9.939 1.00 0.51 N ATOM 1251 NH2 ARG A 475 17.226 11.789 -11.032 1.00 74.24 N ATOM 0 H ARG A 475 10.665 9.949 -9.037 1.00 22.01 H new ATOM 0 HA ARG A 475 10.795 7.902 -11.230 1.00 42.41 H new ATOM 0 HB2 ARG A 475 13.183 7.851 -11.099 1.00 54.15 H new ATOM 0 HB3 ARG A 475 12.719 9.524 -11.338 1.00 54.15 H new ATOM 0 HG2 ARG A 475 13.013 8.992 -8.481 1.00 70.43 H new ATOM 0 HG3 ARG A 475 14.444 8.439 -9.328 1.00 70.43 H new ATOM 0 HD2 ARG A 475 13.441 11.268 -9.805 1.00 3.31 H new ATOM 0 HD3 ARG A 475 14.338 10.903 -8.344 1.00 3.31 H new ATOM 0 HE ARG A 475 15.837 9.816 -10.470 1.00 41.41 H new ATOM 0 HH11 ARG A 475 14.742 13.029 -9.401 1.00 0.51 H new ATOM 0 HH12 ARG A 475 16.116 13.854 -10.144 1.00 0.51 H new ATOM 0 HH21 ARG A 475 17.610 10.895 -11.339 1.00 74.24 H new ATOM 0 HH22 ARG A 475 17.727 12.655 -11.231 1.00 74.24 H new ATOM 1265 N LEU A 476 11.023 5.973 -9.559 1.00 54.10 N ATOM 1266 CA LEU A 476 10.677 4.896 -8.571 1.00 40.42 C ATOM 1267 C LEU A 476 11.977 4.376 -7.858 1.00 44.25 C ATOM 1268 O LEU A 476 12.814 3.764 -8.523 1.00 35.14 O ATOM 1269 CB LEU A 476 9.941 3.672 -9.284 1.00 33.33 C ATOM 1270 CG LEU A 476 8.431 3.761 -9.770 1.00 40.43 C ATOM 1271 CD1 LEU A 476 7.450 3.745 -8.613 1.00 0.22 C ATOM 1272 CD2 LEU A 476 8.149 4.980 -10.625 1.00 73.13 C ATOM 0 H LEU A 476 11.216 5.638 -10.503 1.00 54.10 H new ATOM 0 HA LEU A 476 10.001 5.328 -7.833 1.00 40.42 H new ATOM 0 HB2 LEU A 476 10.537 3.414 -10.159 1.00 33.33 H new ATOM 0 HB3 LEU A 476 10.000 2.827 -8.598 1.00 33.33 H new ATOM 0 HG LEU A 476 8.289 2.869 -10.380 1.00 40.43 H new ATOM 0 HD11 LEU A 476 6.432 3.808 -8.998 1.00 0.22 H new ATOM 0 HD12 LEU A 476 7.568 2.820 -8.049 1.00 0.22 H new ATOM 0 HD13 LEU A 476 7.644 4.596 -7.960 1.00 0.22 H new ATOM 0 HD21 LEU A 476 7.101 4.980 -10.923 1.00 73.13 H new ATOM 0 HD22 LEU A 476 8.364 5.883 -10.053 1.00 73.13 H new ATOM 0 HD23 LEU A 476 8.779 4.955 -11.514 1.00 73.13 H new ATOM 1284 N LYS A 477 12.186 4.611 -6.517 1.00 71.15 N ATOM 1285 CA LYS A 477 13.418 4.060 -5.852 1.00 23.42 C ATOM 1286 C LYS A 477 13.087 2.822 -4.937 1.00 4.52 C ATOM 1287 O LYS A 477 12.255 2.953 -4.050 1.00 32.44 O ATOM 1288 CB LYS A 477 14.145 5.194 -5.046 1.00 31.03 C ATOM 1289 CG LYS A 477 15.470 4.769 -4.366 1.00 51.33 C ATOM 1290 CD LYS A 477 16.676 4.733 -5.318 1.00 62.40 C ATOM 1291 CE LYS A 477 17.124 6.138 -5.723 1.00 1.02 C ATOM 1292 NZ LYS A 477 18.503 6.141 -6.293 1.00 23.02 N ATOM 0 H LYS A 477 11.561 5.143 -5.911 1.00 71.15 H new ATOM 0 HA LYS A 477 14.092 3.700 -6.629 1.00 23.42 H new ATOM 0 HB2 LYS A 477 14.351 6.024 -5.722 1.00 31.03 H new ATOM 0 HB3 LYS A 477 13.465 5.568 -4.280 1.00 31.03 H new ATOM 0 HG2 LYS A 477 15.685 5.458 -3.549 1.00 51.33 H new ATOM 0 HG3 LYS A 477 15.339 3.781 -3.924 1.00 51.33 H new ATOM 0 HD2 LYS A 477 17.504 4.213 -4.836 1.00 62.40 H new ATOM 0 HD3 LYS A 477 16.417 4.163 -6.210 1.00 62.40 H new ATOM 0 HE2 LYS A 477 16.427 6.544 -6.457 1.00 1.02 H new ATOM 0 HE3 LYS A 477 17.089 6.795 -4.854 1.00 1.02 H new ATOM 0 HZ1 LYS A 477 18.768 7.112 -6.555 1.00 23.02 H new ATOM 0 HZ2 LYS A 477 19.172 5.778 -5.585 1.00 23.02 H new ATOM 0 HZ3 LYS A 477 18.531 5.535 -7.138 1.00 23.02 H new ATOM 1306 N VAL A 478 13.737 1.611 -5.162 1.00 42.11 N ATOM 1307 CA VAL A 478 13.354 0.346 -4.460 1.00 63.30 C ATOM 1308 C VAL A 478 14.623 -0.522 -4.155 1.00 64.24 C ATOM 1309 O VAL A 478 15.633 -0.370 -4.858 1.00 41.21 O ATOM 1310 CB VAL A 478 12.241 -0.440 -5.263 1.00 44.35 C ATOM 1311 CG1 VAL A 478 12.673 -1.844 -5.703 1.00 42.02 C ATOM 1312 CG2 VAL A 478 10.934 -0.518 -4.453 1.00 61.30 C ATOM 0 H VAL A 478 14.513 1.503 -5.815 1.00 42.11 H new ATOM 0 HA VAL A 478 12.909 0.599 -3.498 1.00 63.30 H new ATOM 0 HB VAL A 478 12.074 0.133 -6.175 1.00 44.35 H new ATOM 0 HG11 VAL A 478 11.858 -2.321 -6.248 1.00 42.02 H new ATOM 0 HG12 VAL A 478 13.547 -1.770 -6.350 1.00 42.02 H new ATOM 0 HG13 VAL A 478 12.921 -2.440 -4.825 1.00 42.02 H new ATOM 0 HG21 VAL A 478 10.183 -1.063 -5.025 1.00 61.30 H new ATOM 0 HG22 VAL A 478 11.119 -1.036 -3.512 1.00 61.30 H new ATOM 0 HG23 VAL A 478 10.573 0.490 -4.247 1.00 61.30 H new ATOM 1322 N GLN A 479 14.593 -1.379 -3.094 1.00 22.41 N ATOM 1323 CA GLN A 479 15.709 -2.344 -2.794 1.00 54.14 C ATOM 1324 C GLN A 479 15.243 -3.535 -1.927 1.00 3.43 C ATOM 1325 O GLN A 479 14.082 -3.558 -1.500 1.00 25.10 O ATOM 1326 CB GLN A 479 16.948 -1.665 -2.197 1.00 34.32 C ATOM 1327 CG GLN A 479 18.177 -1.862 -3.086 1.00 1.41 C ATOM 1328 CD GLN A 479 19.477 -1.488 -2.409 1.00 14.42 C ATOM 1329 OE1 GLN A 479 19.620 -1.622 -1.196 1.00 14.12 O ATOM 1330 NE2 GLN A 479 20.441 -1.030 -3.186 1.00 13.35 N ATOM 0 H GLN A 479 13.818 -1.426 -2.433 1.00 22.41 H new ATOM 0 HA GLN A 479 16.012 -2.747 -3.761 1.00 54.14 H new ATOM 0 HB2 GLN A 479 16.755 -0.600 -2.071 1.00 34.32 H new ATOM 0 HB3 GLN A 479 17.146 -2.072 -1.206 1.00 34.32 H new ATOM 0 HG2 GLN A 479 18.226 -2.905 -3.399 1.00 1.41 H new ATOM 0 HG3 GLN A 479 18.062 -1.264 -3.990 1.00 1.41 H new ATOM 0 HE21 GLN A 479 20.285 -0.933 -4.189 1.00 13.35 H new ATOM 0 HE22 GLN A 479 21.342 -0.774 -2.783 1.00 13.35 H new ATOM 1339 N LEU A 480 16.146 -4.556 -1.713 1.00 21.45 N ATOM 1340 CA LEU A 480 15.763 -5.766 -0.847 1.00 53.12 C ATOM 1341 C LEU A 480 15.654 -5.182 0.601 1.00 73.11 C ATOM 1342 O LEU A 480 16.443 -4.269 0.890 1.00 31.54 O ATOM 1343 CB LEU A 480 16.822 -6.981 -0.813 1.00 32.14 C ATOM 1344 CG LEU A 480 17.024 -8.057 -2.003 1.00 75.42 C ATOM 1345 CD1 LEU A 480 17.108 -7.420 -3.383 1.00 40.43 C ATOM 1346 CD2 LEU A 480 18.362 -8.745 -1.751 1.00 43.32 C ATOM 0 H LEU A 480 17.091 -4.582 -2.096 1.00 21.45 H new ATOM 0 HA LEU A 480 14.857 -6.207 -1.262 1.00 53.12 H new ATOM 0 HB2 LEU A 480 17.799 -6.525 -0.650 1.00 32.14 H new ATOM 0 HB3 LEU A 480 16.588 -7.560 0.080 1.00 32.14 H new ATOM 0 HG LEU A 480 16.166 -8.729 -1.997 1.00 75.42 H new ATOM 0 HD11 LEU A 480 17.243 -8.197 -4.135 1.00 40.43 H new ATOM 0 HD12 LEU A 480 16.188 -6.873 -3.588 1.00 40.43 H new ATOM 0 HD13 LEU A 480 17.953 -6.733 -3.416 1.00 40.43 H new ATOM 0 HD21 LEU A 480 18.544 -9.484 -2.532 1.00 43.32 H new ATOM 0 HD22 LEU A 480 19.160 -8.003 -1.760 1.00 43.32 H new ATOM 0 HD23 LEU A 480 18.339 -9.241 -0.781 1.00 43.32 H new ATOM 1358 N LYS A 481 14.705 -5.661 1.496 1.00 11.31 N ATOM 1359 CA LYS A 481 14.429 -5.029 2.823 1.00 50.24 C ATOM 1360 C LYS A 481 15.691 -4.826 3.664 1.00 51.12 C ATOM 1361 O LYS A 481 16.278 -5.753 4.228 1.00 71.44 O ATOM 1362 CB LYS A 481 13.365 -5.953 3.524 1.00 32.43 C ATOM 1363 CG LYS A 481 13.275 -6.139 5.109 1.00 13.14 C ATOM 1364 CD LYS A 481 13.139 -4.847 5.981 1.00 64.30 C ATOM 1365 CE LYS A 481 12.172 -5.039 7.187 1.00 24.53 C ATOM 1366 NZ LYS A 481 12.334 -6.366 7.868 1.00 1.40 N ATOM 0 H LYS A 481 14.128 -6.481 1.308 1.00 11.31 H new ATOM 0 HA LYS A 481 14.044 -4.017 2.699 1.00 50.24 H new ATOM 0 HB2 LYS A 481 12.387 -5.598 3.199 1.00 32.43 H new ATOM 0 HB3 LYS A 481 13.498 -6.950 3.104 1.00 32.43 H new ATOM 0 HG2 LYS A 481 12.421 -6.782 5.324 1.00 13.14 H new ATOM 0 HG3 LYS A 481 14.167 -6.673 5.436 1.00 13.14 H new ATOM 0 HD2 LYS A 481 14.123 -4.557 6.351 1.00 64.30 H new ATOM 0 HD3 LYS A 481 12.779 -4.028 5.358 1.00 64.30 H new ATOM 0 HE2 LYS A 481 12.342 -4.243 7.912 1.00 24.53 H new ATOM 0 HE3 LYS A 481 11.144 -4.939 6.840 1.00 24.53 H new ATOM 0 HZ1 LYS A 481 12.014 -6.291 8.855 1.00 1.40 H new ATOM 0 HZ2 LYS A 481 11.765 -7.082 7.373 1.00 1.40 H new ATOM 0 HZ3 LYS A 481 13.335 -6.646 7.849 1.00 1.40 H new ATOM 1380 N ARG A 482 16.134 -3.570 3.634 1.00 53.02 N ATOM 1381 CA ARG A 482 17.216 -3.092 4.450 1.00 10.20 C ATOM 1382 C ARG A 482 16.634 -2.145 5.526 1.00 4.21 C ATOM 1383 O ARG A 482 15.995 -1.155 5.150 1.00 4.24 O ATOM 1384 CB ARG A 482 18.303 -2.436 3.496 1.00 50.34 C ATOM 1385 CG ARG A 482 18.115 -0.965 2.994 1.00 30.13 C ATOM 1386 CD ARG A 482 16.959 -0.715 1.988 1.00 35.41 C ATOM 1387 NE ARG A 482 16.848 0.720 1.666 1.00 73.24 N ATOM 1388 CZ ARG A 482 17.478 1.339 0.656 1.00 21.15 C ATOM 1389 NH1 ARG A 482 18.288 0.683 -0.145 1.00 34.42 N ATOM 1390 NH2 ARG A 482 17.302 2.635 0.454 1.00 62.53 N ATOM 0 H ARG A 482 15.735 -2.854 3.027 1.00 53.02 H new ATOM 0 HA ARG A 482 17.727 -3.887 4.993 1.00 10.20 H new ATOM 0 HB2 ARG A 482 19.260 -2.482 4.015 1.00 50.34 H new ATOM 0 HB3 ARG A 482 18.387 -3.072 2.615 1.00 50.34 H new ATOM 0 HG2 ARG A 482 17.954 -0.327 3.863 1.00 30.13 H new ATOM 0 HG3 ARG A 482 19.047 -0.642 2.529 1.00 30.13 H new ATOM 0 HD2 ARG A 482 17.135 -1.285 1.076 1.00 35.41 H new ATOM 0 HD3 ARG A 482 16.020 -1.072 2.410 1.00 35.41 H new ATOM 0 HE ARG A 482 16.243 1.288 2.259 1.00 73.24 H new ATOM 0 HH11 ARG A 482 18.447 -0.315 -0.004 1.00 34.42 H new ATOM 0 HH12 ARG A 482 18.758 1.172 -0.907 1.00 34.42 H new ATOM 0 HH21 ARG A 482 16.685 3.168 1.067 1.00 62.53 H new ATOM 0 HH22 ARG A 482 17.783 3.101 -0.315 1.00 62.53 H new ATOM 1404 N SER A 483 16.732 -2.535 6.837 1.00 74.35 N ATOM 1405 CA SER A 483 16.466 -1.649 8.015 1.00 31.31 C ATOM 1406 C SER A 483 15.150 -0.820 7.938 1.00 54.53 C ATOM 1407 O SER A 483 15.134 0.232 7.305 1.00 21.45 O ATOM 1408 CB SER A 483 17.688 -0.722 8.253 1.00 32.34 C ATOM 1409 OG SER A 483 18.852 -1.485 8.543 1.00 14.02 O ATOM 0 H SER A 483 17.000 -3.482 7.105 1.00 74.35 H new ATOM 0 HA SER A 483 16.317 -2.317 8.863 1.00 31.31 H new ATOM 0 HB2 SER A 483 17.861 -0.107 7.370 1.00 32.34 H new ATOM 0 HB3 SER A 483 17.479 -0.042 9.079 1.00 32.34 H new ATOM 0 HG SER A 483 19.611 -0.882 8.688 1.00 14.02 H new