USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=12 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 Single : A 398 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.2!) USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 ASN :FLIP amide:sc= -0.556 F(o=-2!,f=-0.56) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.41) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -159:sc= -0.542 (180deg=-0.869) USER MOD Single : A 430 ASN : amide:sc= -0.587 K(o=-0.59,f=-2!) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 SER OG : rot 160:sc= -0.126 USER MOD Single : A 453 TYR OH : rot 174:sc= 0.565 USER MOD Single : A 455 ASN : amide:sc= -2.08! C(o=-2.1!,f=-7!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 460 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.2) USER MOD Single : A 464 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.79) USER MOD Single : A 466 MET CE :methyl -175:sc= -0.223 (180deg=-0.275) USER MOD Single : A 467 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 470 GLN :FLIP amide:sc= -0.0977 F(o=-0.86,f=-0.098) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 146:sc= 0.725 (180deg=0.308) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 481 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0143) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.086 -6.704 6.589 1.00 75.11 N ATOM 57 CA GLN A 398 -1.186 -6.647 5.426 1.00 21.02 C ATOM 58 C GLN A 398 -0.291 -7.892 5.360 1.00 33.22 C ATOM 59 O GLN A 398 0.284 -8.304 6.369 1.00 25.45 O ATOM 60 CB GLN A 398 -0.303 -5.358 5.457 1.00 35.23 C ATOM 61 CG GLN A 398 0.484 -5.109 6.787 1.00 11.11 C ATOM 62 CD GLN A 398 -0.003 -3.911 7.609 1.00 42.44 C ATOM 63 OE1 GLN A 398 -0.568 -2.948 7.074 1.00 1.11 O ATOM 64 NE2 GLN A 398 0.253 -3.954 8.924 1.00 3.14 N ATOM 0 HA GLN A 398 -1.811 -6.618 4.533 1.00 21.02 H new ATOM 0 HB2 GLN A 398 0.413 -5.410 4.637 1.00 35.23 H new ATOM 0 HB3 GLN A 398 -0.943 -4.496 5.268 1.00 35.23 H new ATOM 0 HG2 GLN A 398 0.419 -6.005 7.404 1.00 11.11 H new ATOM 0 HG3 GLN A 398 1.537 -4.963 6.547 1.00 11.11 H new ATOM 0 HE21 GLN A 398 0.721 -4.766 9.326 1.00 3.14 H new ATOM 0 HE22 GLN A 398 -0.020 -3.174 9.522 1.00 3.14 H new ATOM 73 N LYS A 399 -0.213 -8.525 4.190 1.00 71.53 N ATOM 74 CA LYS A 399 0.706 -9.641 4.041 1.00 52.23 C ATOM 75 C LYS A 399 1.978 -9.146 3.351 1.00 11.11 C ATOM 76 O LYS A 399 1.964 -8.826 2.169 1.00 54.20 O ATOM 77 CB LYS A 399 0.051 -10.800 3.222 1.00 45.45 C ATOM 78 CG LYS A 399 -0.746 -11.903 4.001 1.00 55.31 C ATOM 79 CD LYS A 399 0.121 -13.013 4.670 1.00 32.35 C ATOM 80 CE LYS A 399 1.184 -13.588 3.712 1.00 71.52 C ATOM 81 NZ LYS A 399 1.872 -14.782 4.265 1.00 72.42 N ATOM 0 H LYS A 399 -0.757 -8.291 3.360 1.00 71.53 H new ATOM 0 HA LYS A 399 0.954 -10.036 5.026 1.00 52.23 H new ATOM 0 HB2 LYS A 399 -0.626 -10.352 2.495 1.00 45.45 H new ATOM 0 HB3 LYS A 399 0.841 -11.296 2.658 1.00 45.45 H new ATOM 0 HG2 LYS A 399 -1.343 -11.418 4.773 1.00 55.31 H new ATOM 0 HG3 LYS A 399 -1.443 -12.378 3.311 1.00 55.31 H new ATOM 0 HD2 LYS A 399 0.614 -12.603 5.551 1.00 32.35 H new ATOM 0 HD3 LYS A 399 -0.528 -13.819 5.014 1.00 32.35 H new ATOM 0 HE2 LYS A 399 0.710 -13.853 2.767 1.00 71.52 H new ATOM 0 HE3 LYS A 399 1.923 -12.818 3.492 1.00 71.52 H new ATOM 0 HZ1 LYS A 399 2.575 -15.126 3.580 1.00 72.42 H new ATOM 0 HZ2 LYS A 399 2.350 -14.527 5.153 1.00 72.42 H new ATOM 0 HZ3 LYS A 399 1.174 -15.530 4.450 1.00 72.42 H new ATOM 95 N GLU A 400 3.047 -9.018 4.129 1.00 61.41 N ATOM 96 CA GLU A 400 4.411 -9.206 3.626 1.00 40.43 C ATOM 97 C GLU A 400 4.616 -10.759 3.438 1.00 71.44 C ATOM 98 O GLU A 400 4.125 -11.517 4.287 1.00 52.31 O ATOM 99 CB GLU A 400 5.391 -8.526 4.660 1.00 51.32 C ATOM 100 CG GLU A 400 5.417 -9.134 6.093 1.00 30.10 C ATOM 101 CD GLU A 400 5.996 -8.181 7.117 1.00 71.41 C ATOM 102 OE1 GLU A 400 5.220 -7.385 7.690 1.00 52.23 O ATOM 103 OE2 GLU A 400 7.217 -8.248 7.372 1.00 34.54 O ATOM 0 H GLU A 400 2.998 -8.783 5.120 1.00 61.41 H new ATOM 0 HA GLU A 400 4.608 -8.739 2.661 1.00 40.43 H new ATOM 0 HB2 GLU A 400 6.401 -8.569 4.252 1.00 51.32 H new ATOM 0 HB3 GLU A 400 5.125 -7.472 4.741 1.00 51.32 H new ATOM 0 HG2 GLU A 400 4.403 -9.406 6.387 1.00 30.10 H new ATOM 0 HG3 GLU A 400 6.004 -10.053 6.084 1.00 30.10 H new ATOM 110 N GLY A 401 5.230 -11.277 2.307 1.00 12.23 N ATOM 111 CA GLY A 401 5.355 -12.748 2.139 1.00 23.13 C ATOM 112 C GLY A 401 6.402 -13.402 3.072 1.00 1.52 C ATOM 113 O GLY A 401 6.822 -12.750 4.028 1.00 72.05 O ATOM 0 H GLY A 401 5.620 -10.718 1.548 1.00 12.23 H new ATOM 0 HA2 GLY A 401 4.384 -13.208 2.321 1.00 23.13 H new ATOM 0 HA3 GLY A 401 5.621 -12.964 1.104 1.00 23.13 H new ATOM 117 N PRO A 402 6.848 -14.701 2.877 1.00 75.53 N ATOM 118 CA PRO A 402 7.748 -15.347 3.834 1.00 24.02 C ATOM 119 C PRO A 402 9.163 -14.771 3.877 1.00 63.23 C ATOM 120 O PRO A 402 9.497 -13.818 3.160 1.00 3.13 O ATOM 121 CB PRO A 402 7.808 -16.818 3.390 1.00 40.21 C ATOM 122 CG PRO A 402 7.397 -16.835 1.963 1.00 14.23 C ATOM 123 CD PRO A 402 6.494 -15.661 1.786 1.00 25.55 C ATOM 0 HA PRO A 402 7.362 -15.194 4.842 1.00 24.02 H new ATOM 0 HB2 PRO A 402 8.814 -17.221 3.511 1.00 40.21 H new ATOM 0 HB3 PRO A 402 7.143 -17.435 3.994 1.00 40.21 H new ATOM 0 HG2 PRO A 402 8.264 -16.764 1.306 1.00 14.23 H new ATOM 0 HG3 PRO A 402 6.884 -17.764 1.715 1.00 14.23 H new ATOM 0 HD2 PRO A 402 6.633 -15.206 0.805 1.00 25.55 H new ATOM 0 HD3 PRO A 402 5.448 -15.960 1.853 1.00 25.55 H new ATOM 131 N GLU A 403 9.928 -15.355 4.807 1.00 64.34 N ATOM 132 CA GLU A 403 11.395 -15.280 4.887 1.00 5.24 C ATOM 133 C GLU A 403 12.124 -15.019 3.519 1.00 52.31 C ATOM 134 O GLU A 403 12.172 -15.907 2.659 1.00 20.41 O ATOM 135 CB GLU A 403 11.759 -16.706 5.373 1.00 13.32 C ATOM 136 CG GLU A 403 11.630 -16.826 6.873 1.00 51.41 C ATOM 137 CD GLU A 403 11.345 -18.244 7.353 1.00 64.45 C ATOM 138 OE1 GLU A 403 10.167 -18.644 7.358 1.00 3.25 O ATOM 139 OE2 GLU A 403 12.295 -18.953 7.740 1.00 0.31 O ATOM 0 H GLU A 403 9.526 -15.917 5.557 1.00 64.34 H new ATOM 0 HA GLU A 403 11.704 -14.447 5.519 1.00 5.24 H new ATOM 0 HB2 GLU A 403 11.107 -17.434 4.891 1.00 13.32 H new ATOM 0 HB3 GLU A 403 12.780 -16.945 5.074 1.00 13.32 H new ATOM 0 HG2 GLU A 403 12.551 -16.473 7.337 1.00 51.41 H new ATOM 0 HG3 GLU A 403 10.830 -16.169 7.213 1.00 51.41 H new ATOM 146 N GLY A 404 12.679 -13.789 3.318 1.00 22.10 N ATOM 147 CA GLY A 404 13.586 -13.549 2.200 1.00 42.41 C ATOM 148 C GLY A 404 13.123 -12.550 1.151 1.00 2.54 C ATOM 149 O GLY A 404 13.994 -11.983 0.487 1.00 53.04 O ATOM 0 H GLY A 404 12.508 -12.977 3.911 1.00 22.10 H new ATOM 0 HA2 GLY A 404 14.539 -13.204 2.602 1.00 42.41 H new ATOM 0 HA3 GLY A 404 13.775 -14.501 1.704 1.00 42.41 H new ATOM 153 N ALA A 405 11.822 -12.298 0.929 1.00 13.34 N ATOM 154 CA ALA A 405 11.506 -11.104 0.184 1.00 4.12 C ATOM 155 C ALA A 405 10.598 -10.202 0.977 1.00 12.14 C ATOM 156 O ALA A 405 9.560 -10.628 1.465 1.00 50.53 O ATOM 157 CB ALA A 405 10.874 -11.445 -1.135 1.00 14.22 C ATOM 0 H ALA A 405 11.034 -12.868 1.236 1.00 13.34 H new ATOM 0 HA ALA A 405 12.440 -10.575 -0.007 1.00 4.12 H new ATOM 0 HB1 ALA A 405 10.646 -10.527 -1.677 1.00 14.22 H new ATOM 0 HB2 ALA A 405 11.563 -12.052 -1.723 1.00 14.22 H new ATOM 0 HB3 ALA A 405 9.954 -12.004 -0.964 1.00 14.22 H new ATOM 163 N ASN A 406 11.007 -8.957 1.116 1.00 65.45 N ATOM 164 CA ASN A 406 10.071 -7.914 1.571 1.00 30.51 C ATOM 165 C ASN A 406 10.264 -6.633 0.685 1.00 22.11 C ATOM 166 O ASN A 406 11.268 -5.942 0.889 1.00 41.43 O ATOM 167 CB ASN A 406 10.315 -7.741 3.116 1.00 11.31 C ATOM 168 CG ASN A 406 9.035 -7.679 3.906 1.00 3.32 C ATOM 169 OD1 ASN A 406 8.699 -8.797 4.556 1.00 20.44 O flip ATOM 170 ND2 ASN A 406 8.380 -6.636 3.969 1.00 41.12 N flip ATOM 0 H ASN A 406 11.956 -8.634 0.929 1.00 65.45 H new ATOM 0 HA ASN A 406 9.018 -8.166 1.446 1.00 30.51 H new ATOM 0 HB2 ASN A 406 10.920 -8.572 3.479 1.00 11.31 H new ATOM 0 HB3 ASN A 406 10.888 -6.830 3.289 1.00 11.31 H new ATOM 0 HD21 ASN A 406 8.683 -5.811 3.451 1.00 41.12 H new ATOM 0 HD22 ASN A 406 7.535 -6.598 4.539 1.00 41.12 H new ATOM 177 N LEU A 407 9.334 -6.281 -0.318 1.00 0.03 N ATOM 178 CA LEU A 407 9.792 -5.373 -1.421 1.00 0.11 C ATOM 179 C LEU A 407 8.980 -4.014 -1.233 1.00 42.13 C ATOM 180 O LEU A 407 7.775 -4.047 -1.457 1.00 53.33 O ATOM 181 CB LEU A 407 9.573 -6.147 -2.874 1.00 72.33 C ATOM 182 CG LEU A 407 10.203 -7.606 -3.131 1.00 64.11 C ATOM 183 CD1 LEU A 407 11.503 -7.913 -2.347 1.00 12.51 C ATOM 184 CD2 LEU A 407 9.169 -8.688 -2.809 1.00 1.25 C ATOM 0 H LEU A 407 8.363 -6.590 -0.366 1.00 0.03 H new ATOM 0 HA LEU A 407 10.854 -5.128 -1.397 1.00 0.11 H new ATOM 0 HB2 LEU A 407 8.498 -6.229 -3.035 1.00 72.33 H new ATOM 0 HB3 LEU A 407 9.962 -5.488 -3.650 1.00 72.33 H new ATOM 0 HG LEU A 407 10.477 -7.608 -4.186 1.00 64.11 H new ATOM 0 HD11 LEU A 407 11.846 -8.919 -2.590 1.00 12.51 H new ATOM 0 HD12 LEU A 407 12.272 -7.191 -2.622 1.00 12.51 H new ATOM 0 HD13 LEU A 407 11.307 -7.845 -1.277 1.00 12.51 H new ATOM 0 HD21 LEU A 407 9.604 -9.671 -2.986 1.00 1.25 H new ATOM 0 HD22 LEU A 407 8.870 -8.606 -1.764 1.00 1.25 H new ATOM 0 HD23 LEU A 407 8.295 -8.558 -3.448 1.00 1.25 H new ATOM 196 N PHE A 408 9.593 -2.797 -0.788 1.00 51.03 N ATOM 197 CA PHE A 408 8.725 -1.612 -0.394 1.00 30.24 C ATOM 198 C PHE A 408 8.601 -0.518 -1.502 1.00 41.30 C ATOM 199 O PHE A 408 9.575 0.200 -1.750 1.00 4.42 O ATOM 200 CB PHE A 408 9.301 -0.875 0.859 1.00 33.34 C ATOM 201 CG PHE A 408 9.342 -1.606 2.182 1.00 41.33 C ATOM 202 CD1 PHE A 408 10.299 -2.580 2.436 1.00 14.35 C ATOM 203 CD2 PHE A 408 8.454 -1.276 3.198 1.00 72.41 C ATOM 204 CE1 PHE A 408 10.363 -3.210 3.651 1.00 32.33 C ATOM 205 CE2 PHE A 408 8.511 -1.912 4.419 1.00 54.51 C ATOM 206 CZ PHE A 408 9.468 -2.881 4.647 1.00 54.12 C ATOM 0 H PHE A 408 10.599 -2.646 -0.708 1.00 51.03 H new ATOM 0 HA PHE A 408 7.749 -2.058 -0.204 1.00 30.24 H new ATOM 0 HB2 PHE A 408 10.319 -0.567 0.621 1.00 33.34 H new ATOM 0 HB3 PHE A 408 8.718 0.035 1.003 1.00 33.34 H new ATOM 0 HD1 PHE A 408 11.005 -2.845 1.663 1.00 14.35 H new ATOM 0 HD2 PHE A 408 7.710 -0.512 3.029 1.00 72.41 H new ATOM 0 HE1 PHE A 408 11.115 -3.965 3.829 1.00 32.33 H new ATOM 0 HE2 PHE A 408 7.808 -1.653 5.197 1.00 54.51 H new ATOM 0 HZ PHE A 408 9.515 -3.380 5.604 1.00 54.12 H new ATOM 216 N ILE A 409 7.382 -0.313 -2.091 1.00 22.20 N ATOM 217 CA ILE A 409 7.193 0.652 -3.231 1.00 21.30 C ATOM 218 C ILE A 409 6.586 1.990 -2.763 1.00 63.44 C ATOM 219 O ILE A 409 5.410 2.068 -2.395 1.00 22.53 O ATOM 220 CB ILE A 409 6.361 -0.006 -4.429 1.00 44.31 C ATOM 221 CG1 ILE A 409 5.904 -1.469 -4.070 1.00 22.54 C ATOM 222 CG2 ILE A 409 7.199 0.001 -5.712 1.00 23.23 C ATOM 223 CD1 ILE A 409 5.114 -2.220 -5.148 1.00 14.20 C ATOM 0 H ILE A 409 6.528 -0.792 -1.804 1.00 22.20 H new ATOM 0 HA ILE A 409 8.183 0.884 -3.623 1.00 21.30 H new ATOM 0 HB ILE A 409 5.462 0.589 -4.591 1.00 44.31 H new ATOM 0 HG12 ILE A 409 6.791 -2.054 -3.827 1.00 22.54 H new ATOM 0 HG13 ILE A 409 5.294 -1.425 -3.168 1.00 22.54 H new ATOM 0 HG21 ILE A 409 6.626 -0.448 -6.523 1.00 23.23 H new ATOM 0 HG22 ILE A 409 7.455 1.028 -5.974 1.00 23.23 H new ATOM 0 HG23 ILE A 409 8.113 -0.571 -5.553 1.00 23.23 H new ATOM 0 HD11 ILE A 409 4.856 -3.214 -4.784 1.00 14.20 H new ATOM 0 HD12 ILE A 409 4.202 -1.671 -5.379 1.00 14.20 H new ATOM 0 HD13 ILE A 409 5.722 -2.310 -6.048 1.00 14.20 H new ATOM 235 N TYR A 410 7.446 3.049 -2.796 1.00 74.44 N ATOM 236 CA TYR A 410 7.090 4.407 -2.312 1.00 11.10 C ATOM 237 C TYR A 410 7.436 5.450 -3.426 1.00 23.13 C ATOM 238 O TYR A 410 8.223 5.100 -4.321 1.00 51.43 O ATOM 239 CB TYR A 410 7.820 4.732 -0.943 1.00 22.15 C ATOM 240 CG TYR A 410 9.306 5.203 -0.986 1.00 61.14 C ATOM 241 CD1 TYR A 410 10.386 4.300 -1.004 1.00 23.31 C ATOM 242 CD2 TYR A 410 9.634 6.567 -0.965 1.00 24.33 C ATOM 243 CE1 TYR A 410 11.705 4.748 -1.011 1.00 60.42 C ATOM 244 CE2 TYR A 410 10.952 7.001 -0.972 1.00 51.01 C ATOM 245 CZ TYR A 410 11.974 6.095 -0.996 1.00 1.41 C ATOM 246 OH TYR A 410 13.281 6.539 -1.017 1.00 74.15 O ATOM 0 H TYR A 410 8.398 2.981 -3.157 1.00 74.44 H new ATOM 0 HA TYR A 410 6.020 4.457 -2.110 1.00 11.10 H new ATOM 0 HB2 TYR A 410 7.242 5.504 -0.434 1.00 22.15 H new ATOM 0 HB3 TYR A 410 7.774 3.837 -0.322 1.00 22.15 H new ATOM 0 HD1 TYR A 410 10.188 3.238 -1.013 1.00 23.31 H new ATOM 0 HD2 TYR A 410 8.840 7.298 -0.943 1.00 24.33 H new ATOM 0 HE1 TYR A 410 12.517 4.036 -1.028 1.00 60.42 H new ATOM 0 HE2 TYR A 410 11.170 8.059 -0.958 1.00 51.01 H new ATOM 0 HH TYR A 410 13.294 7.519 -1.003 1.00 74.15 H new ATOM 256 N HIS A 411 6.819 6.697 -3.418 1.00 54.14 N ATOM 257 CA HIS A 411 7.180 7.805 -4.351 1.00 21.41 C ATOM 258 C HIS A 411 6.621 7.579 -5.781 1.00 64.23 C ATOM 259 O HIS A 411 7.185 8.086 -6.758 1.00 42.11 O ATOM 260 CB HIS A 411 8.715 8.106 -4.385 1.00 62.11 C ATOM 261 CG HIS A 411 9.163 9.200 -3.440 1.00 42.43 C ATOM 262 ND1 HIS A 411 8.353 9.706 -2.439 1.00 41.42 N ATOM 263 CD2 HIS A 411 10.349 9.894 -3.334 1.00 3.52 C ATOM 264 CE1 HIS A 411 8.995 10.657 -1.783 1.00 24.43 C ATOM 265 NE2 HIS A 411 10.202 10.785 -2.300 1.00 15.23 N ATOM 0 H HIS A 411 6.071 6.941 -2.768 1.00 54.14 H new ATOM 0 HA HIS A 411 6.696 8.693 -3.945 1.00 21.41 H new ATOM 0 HB2 HIS A 411 9.257 7.191 -4.144 1.00 62.11 H new ATOM 0 HB3 HIS A 411 8.995 8.384 -5.401 1.00 62.11 H new ATOM 0 HD2 HIS A 411 11.228 9.762 -3.948 1.00 3.52 H new ATOM 0 HE1 HIS A 411 8.598 11.233 -0.961 1.00 24.43 H new ATOM 0 HE2 HIS A 411 10.914 11.442 -1.982 1.00 15.23 H new ATOM 274 N LEU A 412 5.498 6.829 -5.884 1.00 52.54 N ATOM 275 CA LEU A 412 4.731 6.652 -7.151 1.00 71.10 C ATOM 276 C LEU A 412 4.198 7.984 -7.752 1.00 20.10 C ATOM 277 O LEU A 412 3.853 8.923 -7.026 1.00 5.53 O ATOM 278 CB LEU A 412 3.522 5.704 -6.933 1.00 61.24 C ATOM 279 CG LEU A 412 2.691 6.004 -5.677 1.00 51.51 C ATOM 280 CD1 LEU A 412 1.392 6.768 -5.940 1.00 22.14 C ATOM 281 CD2 LEU A 412 2.393 4.736 -4.893 1.00 23.33 C ATOM 0 H LEU A 412 5.094 6.327 -5.093 1.00 52.54 H new ATOM 0 HA LEU A 412 5.443 6.226 -7.858 1.00 71.10 H new ATOM 0 HB2 LEU A 412 2.871 5.761 -7.805 1.00 61.24 H new ATOM 0 HB3 LEU A 412 3.887 4.679 -6.874 1.00 61.24 H new ATOM 0 HG LEU A 412 3.321 6.667 -5.084 1.00 51.51 H new ATOM 0 HD11 LEU A 412 0.871 6.935 -4.997 1.00 22.14 H new ATOM 0 HD12 LEU A 412 1.622 7.728 -6.403 1.00 22.14 H new ATOM 0 HD13 LEU A 412 0.756 6.186 -6.607 1.00 22.14 H new ATOM 0 HD21 LEU A 412 1.803 4.984 -4.010 1.00 23.33 H new ATOM 0 HD22 LEU A 412 1.833 4.043 -5.521 1.00 23.33 H new ATOM 0 HD23 LEU A 412 3.329 4.270 -4.585 1.00 23.33 H new ATOM 293 N PRO A 413 4.180 8.064 -9.111 1.00 30.35 N ATOM 294 CA PRO A 413 3.587 9.170 -9.906 1.00 33.04 C ATOM 295 C PRO A 413 2.043 9.234 -9.912 1.00 50.21 C ATOM 296 O PRO A 413 1.368 8.293 -9.516 1.00 1.40 O ATOM 297 CB PRO A 413 4.143 8.885 -11.304 1.00 61.13 C ATOM 298 CG PRO A 413 4.258 7.423 -11.327 1.00 63.41 C ATOM 299 CD PRO A 413 4.833 7.091 -10.003 1.00 34.12 C ATOM 0 HA PRO A 413 3.846 10.143 -9.488 1.00 33.04 H new ATOM 0 HB2 PRO A 413 3.475 9.249 -12.085 1.00 61.13 H new ATOM 0 HB3 PRO A 413 5.108 9.367 -11.460 1.00 61.13 H new ATOM 0 HG2 PRO A 413 3.288 6.948 -11.472 1.00 63.41 H new ATOM 0 HG3 PRO A 413 4.902 7.085 -12.139 1.00 63.41 H new ATOM 0 HD2 PRO A 413 4.612 6.064 -9.712 1.00 34.12 H new ATOM 0 HD3 PRO A 413 5.918 7.199 -9.994 1.00 34.12 H new ATOM 307 N GLN A 414 1.538 10.404 -10.349 1.00 61.03 N ATOM 308 CA GLN A 414 0.082 10.757 -10.441 1.00 53.43 C ATOM 309 C GLN A 414 -0.818 9.670 -11.124 1.00 54.21 C ATOM 310 O GLN A 414 -1.923 9.413 -10.638 1.00 13.23 O ATOM 311 CB GLN A 414 -0.015 12.140 -11.170 1.00 13.45 C ATOM 312 CG GLN A 414 -1.205 12.378 -12.155 1.00 44.32 C ATOM 313 CD GLN A 414 -1.032 13.666 -12.943 1.00 10.32 C ATOM 314 OE1 GLN A 414 -1.496 14.726 -12.529 1.00 55.15 O ATOM 315 NE2 GLN A 414 -0.338 13.587 -14.074 1.00 61.31 N ATOM 0 H GLN A 414 2.141 11.165 -10.662 1.00 61.03 H new ATOM 0 HA GLN A 414 -0.320 10.812 -9.429 1.00 53.43 H new ATOM 0 HB2 GLN A 414 -0.056 12.916 -10.406 1.00 13.45 H new ATOM 0 HB3 GLN A 414 0.911 12.288 -11.726 1.00 13.45 H new ATOM 0 HG2 GLN A 414 -1.281 11.537 -12.844 1.00 44.32 H new ATOM 0 HG3 GLN A 414 -2.139 12.417 -11.595 1.00 44.32 H new ATOM 0 HE21 GLN A 414 0.031 12.688 -14.384 1.00 61.31 H new ATOM 0 HE22 GLN A 414 -0.174 14.425 -14.632 1.00 61.31 H new ATOM 324 N GLU A 415 -0.355 9.031 -12.228 1.00 0.32 N ATOM 325 CA GLU A 415 -1.191 8.016 -12.934 1.00 74.21 C ATOM 326 C GLU A 415 -1.086 6.617 -12.274 1.00 63.22 C ATOM 327 O GLU A 415 -2.041 5.836 -12.359 1.00 44.23 O ATOM 328 CB GLU A 415 -0.867 7.966 -14.452 1.00 33.32 C ATOM 329 CG GLU A 415 -2.111 7.861 -15.378 1.00 12.12 C ATOM 330 CD GLU A 415 -1.747 7.780 -16.851 1.00 0.23 C ATOM 331 OE1 GLU A 415 -1.318 8.804 -17.418 1.00 34.21 O ATOM 332 OE2 GLU A 415 -1.924 6.702 -17.447 1.00 33.33 O ATOM 0 H GLU A 415 0.564 9.190 -12.642 1.00 0.32 H new ATOM 0 HA GLU A 415 -2.230 8.332 -12.836 1.00 74.21 H new ATOM 0 HB2 GLU A 415 -0.306 8.861 -14.720 1.00 33.32 H new ATOM 0 HB3 GLU A 415 -0.216 7.113 -14.643 1.00 33.32 H new ATOM 0 HG2 GLU A 415 -2.689 6.979 -15.103 1.00 12.12 H new ATOM 0 HG3 GLU A 415 -2.753 8.726 -15.215 1.00 12.12 H new ATOM 339 N PHE A 416 0.055 6.289 -11.620 1.00 63.34 N ATOM 340 CA PHE A 416 0.104 5.052 -10.750 1.00 45.24 C ATOM 341 C PHE A 416 -0.673 5.245 -9.374 1.00 61.33 C ATOM 342 O PHE A 416 -0.171 5.954 -8.522 1.00 31.20 O ATOM 343 CB PHE A 416 1.624 4.613 -10.498 1.00 14.44 C ATOM 344 CG PHE A 416 2.271 3.651 -11.494 1.00 34.20 C ATOM 345 CD1 PHE A 416 1.997 3.654 -12.868 1.00 42.33 C ATOM 346 CD2 PHE A 416 3.180 2.717 -11.013 1.00 14.43 C ATOM 347 CE1 PHE A 416 2.620 2.744 -13.717 1.00 24.10 C ATOM 348 CE2 PHE A 416 3.798 1.817 -11.858 1.00 51.10 C ATOM 349 CZ PHE A 416 3.515 1.832 -13.207 1.00 4.04 C ATOM 0 H PHE A 416 0.923 6.823 -11.662 1.00 63.34 H new ATOM 0 HA PHE A 416 -0.410 4.254 -11.286 1.00 45.24 H new ATOM 0 HB2 PHE A 416 2.231 5.518 -10.466 1.00 14.44 H new ATOM 0 HB3 PHE A 416 1.680 4.157 -9.510 1.00 14.44 H new ATOM 0 HD1 PHE A 416 1.296 4.369 -13.272 1.00 42.33 H new ATOM 0 HD2 PHE A 416 3.408 2.695 -9.958 1.00 14.43 H new ATOM 0 HE1 PHE A 416 2.401 2.754 -14.775 1.00 24.10 H new ATOM 0 HE2 PHE A 416 4.503 1.101 -11.462 1.00 51.10 H new ATOM 0 HZ PHE A 416 3.998 1.125 -13.866 1.00 4.04 H new ATOM 359 N GLY A 417 -1.918 4.630 -9.168 1.00 43.23 N ATOM 360 CA GLY A 417 -2.601 4.632 -7.836 1.00 32.40 C ATOM 361 C GLY A 417 -2.637 3.210 -7.185 1.00 73.31 C ATOM 362 O GLY A 417 -1.903 2.342 -7.638 1.00 51.13 O ATOM 0 H GLY A 417 -2.437 4.146 -9.901 1.00 43.23 H new ATOM 0 HA2 GLY A 417 -2.087 5.322 -7.167 1.00 32.40 H new ATOM 0 HA3 GLY A 417 -3.620 5.001 -7.953 1.00 32.40 H new ATOM 366 N ASP A 418 -3.471 2.941 -6.121 1.00 3.25 N ATOM 367 CA ASP A 418 -3.461 1.602 -5.445 1.00 1.14 C ATOM 368 C ASP A 418 -4.159 0.446 -6.198 1.00 62.41 C ATOM 369 O ASP A 418 -3.635 -0.666 -6.139 1.00 10.32 O ATOM 370 CB ASP A 418 -3.968 1.615 -3.989 1.00 14.41 C ATOM 371 CG ASP A 418 -5.295 2.342 -3.796 1.00 63.51 C ATOM 372 OD1 ASP A 418 -5.270 3.569 -3.566 1.00 61.51 O ATOM 373 OD2 ASP A 418 -6.359 1.690 -3.861 1.00 71.41 O ATOM 0 H ASP A 418 -4.133 3.610 -5.729 1.00 3.25 H new ATOM 0 HA ASP A 418 -2.391 1.393 -5.454 1.00 1.14 H new ATOM 0 HB2 ASP A 418 -4.076 0.587 -3.645 1.00 14.41 H new ATOM 0 HB3 ASP A 418 -3.214 2.085 -3.358 1.00 14.41 H new ATOM 378 N GLN A 419 -5.359 0.639 -6.833 1.00 24.30 N ATOM 379 CA GLN A 419 -5.854 -0.329 -7.826 1.00 15.24 C ATOM 380 C GLN A 419 -4.785 -0.626 -8.940 1.00 61.33 C ATOM 381 O GLN A 419 -4.789 -1.705 -9.540 1.00 21.30 O ATOM 382 CB GLN A 419 -7.169 0.148 -8.495 1.00 23.43 C ATOM 383 CG GLN A 419 -7.865 -0.987 -9.244 1.00 33.24 C ATOM 384 CD GLN A 419 -8.342 -0.567 -10.614 1.00 24.12 C ATOM 385 OE1 GLN A 419 -9.443 -0.049 -10.760 1.00 33.11 O ATOM 386 NE2 GLN A 419 -7.526 -0.834 -11.634 1.00 21.32 N ATOM 0 H GLN A 419 -5.974 1.437 -6.671 1.00 24.30 H new ATOM 0 HA GLN A 419 -6.053 -1.248 -7.275 1.00 15.24 H new ATOM 0 HB2 GLN A 419 -7.840 0.548 -7.735 1.00 23.43 H new ATOM 0 HB3 GLN A 419 -6.951 0.961 -9.187 1.00 23.43 H new ATOM 0 HG2 GLN A 419 -7.178 -1.827 -9.344 1.00 33.24 H new ATOM 0 HG3 GLN A 419 -8.715 -1.337 -8.658 1.00 33.24 H new ATOM 0 HE21 GLN A 419 -6.618 -1.266 -11.461 1.00 21.32 H new ATOM 0 HE22 GLN A 419 -7.809 -0.606 -12.587 1.00 21.32 H new ATOM 395 N ASP A 420 -3.849 0.323 -9.193 1.00 11.13 N ATOM 396 CA ASP A 420 -2.888 0.178 -10.293 1.00 22.44 C ATOM 397 C ASP A 420 -1.574 -0.505 -9.837 1.00 14.40 C ATOM 398 O ASP A 420 -0.780 -0.958 -10.660 1.00 53.30 O ATOM 399 CB ASP A 420 -2.673 1.522 -11.033 1.00 4.41 C ATOM 400 CG ASP A 420 -1.274 1.743 -11.607 1.00 42.01 C ATOM 401 OD1 ASP A 420 -0.361 2.053 -10.826 1.00 5.24 O ATOM 402 OD2 ASP A 420 -1.098 1.611 -12.832 1.00 71.41 O ATOM 0 H ASP A 420 -3.747 1.182 -8.653 1.00 11.13 H new ATOM 0 HA ASP A 420 -3.319 -0.503 -11.027 1.00 22.44 H new ATOM 0 HB2 ASP A 420 -3.395 1.588 -11.847 1.00 4.41 H new ATOM 0 HB3 ASP A 420 -2.896 2.336 -10.343 1.00 4.41 H new ATOM 407 N ILE A 421 -1.357 -0.592 -8.524 1.00 24.22 N ATOM 408 CA ILE A 421 -0.153 -1.217 -7.925 1.00 74.23 C ATOM 409 C ILE A 421 -0.042 -2.726 -8.301 1.00 2.20 C ATOM 410 O ILE A 421 1.052 -3.302 -8.348 1.00 12.14 O ATOM 411 CB ILE A 421 -0.183 -0.961 -6.376 1.00 61.21 C ATOM 412 CG1 ILE A 421 0.936 0.041 -5.944 1.00 4.30 C ATOM 413 CG2 ILE A 421 -0.163 -2.242 -5.518 1.00 63.31 C ATOM 414 CD1 ILE A 421 0.440 1.162 -5.023 1.00 55.14 C ATOM 0 H ILE A 421 -2.012 -0.230 -7.831 1.00 24.22 H new ATOM 0 HA ILE A 421 0.750 -0.761 -8.331 1.00 74.23 H new ATOM 0 HB ILE A 421 -1.152 -0.504 -6.177 1.00 61.21 H new ATOM 0 HG12 ILE A 421 1.728 -0.510 -5.437 1.00 4.30 H new ATOM 0 HG13 ILE A 421 1.378 0.485 -6.836 1.00 4.30 H new ATOM 0 HG21 ILE A 421 -0.186 -1.973 -4.462 1.00 63.31 H new ATOM 0 HG22 ILE A 421 -1.034 -2.853 -5.756 1.00 63.31 H new ATOM 0 HG23 ILE A 421 0.745 -2.807 -5.729 1.00 63.31 H new ATOM 0 HD11 ILE A 421 1.273 1.817 -4.766 1.00 55.14 H new ATOM 0 HD12 ILE A 421 -0.331 1.739 -5.534 1.00 55.14 H new ATOM 0 HD13 ILE A 421 0.025 0.728 -4.113 1.00 55.14 H new ATOM 426 N LEU A 422 -1.192 -3.297 -8.665 1.00 2.32 N ATOM 427 CA LEU A 422 -1.317 -4.679 -9.104 1.00 63.32 C ATOM 428 C LEU A 422 -0.742 -4.815 -10.565 1.00 53.43 C ATOM 429 O LEU A 422 -0.318 -5.905 -10.938 1.00 42.13 O ATOM 430 CB LEU A 422 -2.838 -5.166 -9.143 1.00 75.11 C ATOM 431 CG LEU A 422 -3.860 -4.697 -8.037 1.00 64.12 C ATOM 432 CD1 LEU A 422 -5.152 -5.503 -8.156 1.00 70.03 C ATOM 433 CD2 LEU A 422 -3.348 -4.857 -6.602 1.00 55.44 C ATOM 0 H LEU A 422 -2.080 -2.795 -8.661 1.00 2.32 H new ATOM 0 HA LEU A 422 -0.767 -5.292 -8.390 1.00 63.32 H new ATOM 0 HB2 LEU A 422 -3.247 -4.864 -10.107 1.00 75.11 H new ATOM 0 HB3 LEU A 422 -2.827 -6.256 -9.129 1.00 75.11 H new ATOM 0 HG LEU A 422 -4.016 -3.633 -8.217 1.00 64.12 H new ATOM 0 HD11 LEU A 422 -5.856 -5.177 -7.391 1.00 70.03 H new ATOM 0 HD12 LEU A 422 -5.589 -5.346 -9.142 1.00 70.03 H new ATOM 0 HD13 LEU A 422 -4.934 -6.562 -8.020 1.00 70.03 H new ATOM 0 HD21 LEU A 422 -4.110 -4.512 -5.903 1.00 55.44 H new ATOM 0 HD22 LEU A 422 -3.128 -5.907 -6.409 1.00 55.44 H new ATOM 0 HD23 LEU A 422 -2.442 -4.266 -6.471 1.00 55.44 H new ATOM 445 N GLN A 423 -0.653 -3.681 -11.374 1.00 40.44 N ATOM 446 CA GLN A 423 -0.729 -3.758 -12.843 1.00 74.42 C ATOM 447 C GLN A 423 0.662 -3.964 -13.485 1.00 44.02 C ATOM 448 O GLN A 423 0.753 -4.481 -14.603 1.00 4.12 O ATOM 449 CB GLN A 423 -1.475 -2.536 -13.493 1.00 52.22 C ATOM 450 CG GLN A 423 -2.998 -2.486 -13.179 1.00 71.11 C ATOM 451 CD GLN A 423 -3.713 -1.316 -13.824 1.00 43.22 C ATOM 452 OE1 GLN A 423 -3.148 -0.255 -14.026 1.00 53.42 O ATOM 453 NE2 GLN A 423 -4.979 -1.519 -14.154 1.00 11.21 N ATOM 0 H GLN A 423 -0.531 -2.736 -11.011 1.00 40.44 H new ATOM 0 HA GLN A 423 -1.333 -4.640 -13.057 1.00 74.42 H new ATOM 0 HB2 GLN A 423 -1.012 -1.613 -13.144 1.00 52.22 H new ATOM 0 HB3 GLN A 423 -1.338 -2.573 -14.574 1.00 52.22 H new ATOM 0 HG2 GLN A 423 -3.460 -3.414 -13.516 1.00 71.11 H new ATOM 0 HG3 GLN A 423 -3.136 -2.435 -12.099 1.00 71.11 H new ATOM 0 HE21 GLN A 423 -5.416 -2.422 -13.968 1.00 11.21 H new ATOM 0 HE22 GLN A 423 -5.517 -0.773 -14.594 1.00 11.21 H new ATOM 462 N MET A 424 1.748 -3.557 -12.774 1.00 15.30 N ATOM 463 CA MET A 424 3.120 -3.759 -13.269 1.00 33.41 C ATOM 464 C MET A 424 3.581 -5.234 -13.116 1.00 61.04 C ATOM 465 O MET A 424 4.039 -5.826 -14.089 1.00 15.03 O ATOM 466 CB MET A 424 4.117 -2.804 -12.549 1.00 73.25 C ATOM 467 CG MET A 424 4.590 -1.602 -13.384 1.00 62.23 C ATOM 468 SD MET A 424 5.585 -2.062 -14.813 1.00 12.34 S ATOM 469 CE MET A 424 6.168 -0.444 -15.334 1.00 35.43 C ATOM 0 H MET A 424 1.692 -3.093 -11.867 1.00 15.30 H new ATOM 0 HA MET A 424 3.114 -3.523 -14.333 1.00 33.41 H new ATOM 0 HB2 MET A 424 3.646 -2.431 -11.639 1.00 73.25 H new ATOM 0 HB3 MET A 424 4.990 -3.380 -12.243 1.00 73.25 H new ATOM 0 HG2 MET A 424 3.719 -1.041 -13.724 1.00 62.23 H new ATOM 0 HG3 MET A 424 5.171 -0.934 -12.747 1.00 62.23 H new ATOM 0 HE1 MET A 424 6.802 -0.552 -16.214 1.00 35.43 H new ATOM 0 HE2 MET A 424 5.315 0.189 -15.577 1.00 35.43 H new ATOM 0 HE3 MET A 424 6.741 0.013 -14.527 1.00 35.43 H new ATOM 479 N PHE A 425 3.403 -5.821 -11.915 1.00 22.23 N ATOM 480 CA PHE A 425 3.956 -7.135 -11.562 1.00 3.45 C ATOM 481 C PHE A 425 3.033 -8.319 -11.929 1.00 22.42 C ATOM 482 O PHE A 425 3.365 -9.438 -11.598 1.00 50.43 O ATOM 483 CB PHE A 425 4.363 -7.183 -10.068 1.00 61.13 C ATOM 484 CG PHE A 425 5.334 -6.102 -9.591 1.00 33.04 C ATOM 485 CD1 PHE A 425 4.973 -4.743 -9.512 1.00 3.30 C ATOM 486 CD2 PHE A 425 6.617 -6.451 -9.179 1.00 62.52 C ATOM 487 CE1 PHE A 425 5.860 -3.810 -9.057 1.00 75.42 C ATOM 488 CE2 PHE A 425 7.490 -5.508 -8.717 1.00 44.41 C ATOM 489 CZ PHE A 425 7.119 -4.186 -8.658 1.00 2.11 C ATOM 0 H PHE A 425 2.867 -5.390 -11.161 1.00 22.23 H new ATOM 0 HA PHE A 425 4.850 -7.258 -12.174 1.00 3.45 H new ATOM 0 HB2 PHE A 425 3.457 -7.118 -9.465 1.00 61.13 H new ATOM 0 HB3 PHE A 425 4.810 -8.156 -9.867 1.00 61.13 H new ATOM 0 HD1 PHE A 425 3.983 -4.435 -9.815 1.00 3.30 H new ATOM 0 HD2 PHE A 425 6.927 -7.484 -9.225 1.00 62.52 H new ATOM 0 HE1 PHE A 425 5.570 -2.771 -9.011 1.00 75.42 H new ATOM 0 HE2 PHE A 425 8.478 -5.803 -8.396 1.00 44.41 H new ATOM 0 HZ PHE A 425 7.817 -3.444 -8.298 1.00 2.11 H new ATOM 499 N MET A 426 1.870 -8.085 -12.584 1.00 5.04 N ATOM 500 CA MET A 426 0.925 -9.160 -12.873 1.00 73.34 C ATOM 501 C MET A 426 1.440 -10.057 -14.022 1.00 53.20 C ATOM 502 O MET A 426 1.257 -11.275 -13.954 1.00 2.54 O ATOM 503 CB MET A 426 -0.467 -8.603 -13.177 1.00 43.11 C ATOM 504 CG MET A 426 -1.398 -8.746 -11.986 1.00 61.53 C ATOM 505 SD MET A 426 -1.785 -10.472 -11.660 1.00 14.35 S ATOM 506 CE MET A 426 -2.336 -10.358 -9.970 1.00 72.22 C ATOM 0 H MET A 426 1.577 -7.166 -12.914 1.00 5.04 H new ATOM 0 HA MET A 426 0.841 -9.783 -11.982 1.00 73.34 H new ATOM 0 HB2 MET A 426 -0.387 -7.551 -13.453 1.00 43.11 H new ATOM 0 HB3 MET A 426 -0.890 -9.126 -14.035 1.00 43.11 H new ATOM 0 HG2 MET A 426 -0.935 -8.303 -11.105 1.00 61.53 H new ATOM 0 HG3 MET A 426 -2.319 -8.194 -12.174 1.00 61.53 H new ATOM 0 HE1 MET A 426 -2.260 -11.336 -9.496 1.00 72.22 H new ATOM 0 HE2 MET A 426 -1.713 -9.644 -9.431 1.00 72.22 H new ATOM 0 HE3 MET A 426 -3.373 -10.024 -9.947 1.00 72.22 H new ATOM 516 N PRO A 427 2.094 -9.496 -15.115 1.00 15.54 N ATOM 517 CA PRO A 427 2.909 -10.323 -16.010 1.00 12.15 C ATOM 518 C PRO A 427 4.267 -10.737 -15.396 1.00 14.05 C ATOM 519 O PRO A 427 4.752 -11.827 -15.686 1.00 24.42 O ATOM 520 CB PRO A 427 3.125 -9.472 -17.267 1.00 25.11 C ATOM 521 CG PRO A 427 2.476 -8.150 -17.049 1.00 73.11 C ATOM 522 CD PRO A 427 1.999 -8.093 -15.623 1.00 41.23 C ATOM 0 HA PRO A 427 2.398 -11.263 -16.217 1.00 12.15 H new ATOM 0 HB2 PRO A 427 4.190 -9.345 -17.462 1.00 25.11 H new ATOM 0 HB3 PRO A 427 2.697 -9.966 -18.139 1.00 25.11 H new ATOM 0 HG2 PRO A 427 3.181 -7.343 -17.247 1.00 73.11 H new ATOM 0 HG3 PRO A 427 1.640 -8.019 -17.736 1.00 73.11 H new ATOM 0 HD2 PRO A 427 2.615 -7.418 -15.029 1.00 41.23 H new ATOM 0 HD3 PRO A 427 0.975 -7.723 -15.566 1.00 41.23 H new ATOM 530 N PHE A 428 4.869 -9.875 -14.544 1.00 21.31 N ATOM 531 CA PHE A 428 6.115 -10.222 -13.815 1.00 62.25 C ATOM 532 C PHE A 428 5.880 -11.204 -12.594 1.00 11.32 C ATOM 533 O PHE A 428 6.766 -11.304 -11.751 1.00 64.13 O ATOM 534 CB PHE A 428 6.960 -8.945 -13.360 1.00 24.51 C ATOM 535 CG PHE A 428 7.389 -7.958 -14.455 1.00 42.01 C ATOM 536 CD1 PHE A 428 8.122 -8.379 -15.557 1.00 33.12 C ATOM 537 CD2 PHE A 428 7.092 -6.588 -14.357 1.00 40.42 C ATOM 538 CE1 PHE A 428 8.533 -7.474 -16.527 1.00 53.31 C ATOM 539 CE2 PHE A 428 7.509 -5.690 -15.333 1.00 15.41 C ATOM 540 CZ PHE A 428 8.225 -6.137 -16.409 1.00 62.01 C ATOM 0 H PHE A 428 4.516 -8.939 -14.344 1.00 21.31 H new ATOM 0 HA PHE A 428 6.713 -10.761 -14.551 1.00 62.25 H new ATOM 0 HB2 PHE A 428 6.373 -8.397 -12.623 1.00 24.51 H new ATOM 0 HB3 PHE A 428 7.858 -9.298 -12.853 1.00 24.51 H new ATOM 0 HD1 PHE A 428 8.376 -9.424 -15.661 1.00 33.12 H new ATOM 0 HD2 PHE A 428 6.530 -6.226 -13.509 1.00 40.42 H new ATOM 0 HE1 PHE A 428 9.098 -7.821 -17.380 1.00 53.31 H new ATOM 0 HE2 PHE A 428 7.268 -4.641 -15.242 1.00 15.41 H new ATOM 0 HZ PHE A 428 8.549 -5.440 -17.168 1.00 62.01 H new ATOM 550 N GLY A 429 4.708 -11.931 -12.476 1.00 64.14 N ATOM 551 CA GLY A 429 4.596 -13.005 -11.445 1.00 14.43 C ATOM 552 C GLY A 429 3.339 -12.920 -10.463 1.00 12.24 C ATOM 553 O GLY A 429 2.523 -12.024 -10.616 1.00 53.45 O ATOM 0 H GLY A 429 3.878 -11.795 -13.053 1.00 64.14 H new ATOM 0 HA2 GLY A 429 4.565 -13.967 -11.956 1.00 14.43 H new ATOM 0 HA3 GLY A 429 5.503 -12.994 -10.840 1.00 14.43 H new ATOM 557 N ASN A 430 3.167 -13.901 -9.471 1.00 74.24 N ATOM 558 CA ASN A 430 1.993 -13.964 -8.495 1.00 42.44 C ATOM 559 C ASN A 430 1.925 -12.768 -7.419 1.00 4.11 C ATOM 560 O ASN A 430 2.937 -12.516 -6.754 1.00 53.14 O ATOM 561 CB ASN A 430 2.034 -15.356 -7.761 1.00 41.13 C ATOM 562 CG ASN A 430 0.743 -15.728 -7.017 1.00 52.11 C ATOM 563 OD1 ASN A 430 0.571 -15.402 -5.849 1.00 43.04 O ATOM 564 ND2 ASN A 430 -0.172 -16.444 -7.681 1.00 0.11 N ATOM 0 H ASN A 430 3.836 -14.659 -9.334 1.00 74.24 H new ATOM 0 HA ASN A 430 1.089 -13.843 -9.091 1.00 42.44 H new ATOM 0 HB2 ASN A 430 2.251 -16.132 -8.495 1.00 41.13 H new ATOM 0 HB3 ASN A 430 2.859 -15.352 -7.049 1.00 41.13 H new ATOM 0 HD21 ASN A 430 -1.033 -16.729 -7.215 1.00 0.11 H new ATOM 0 HD22 ASN A 430 -0.008 -16.705 -8.653 1.00 0.11 H new ATOM 571 N VAL A 431 0.743 -12.019 -7.248 1.00 52.00 N ATOM 572 CA VAL A 431 0.526 -11.119 -6.024 1.00 43.53 C ATOM 573 C VAL A 431 -0.161 -11.924 -4.869 1.00 1.13 C ATOM 574 O VAL A 431 -0.930 -12.841 -5.150 1.00 74.33 O ATOM 575 CB VAL A 431 -0.343 -9.781 -6.203 1.00 51.14 C ATOM 576 CG1 VAL A 431 0.194 -8.793 -7.233 1.00 52.05 C ATOM 577 CG2 VAL A 431 -1.838 -10.009 -6.452 1.00 22.02 C ATOM 0 H VAL A 431 -0.033 -12.022 -7.910 1.00 52.00 H new ATOM 0 HA VAL A 431 1.545 -10.794 -5.815 1.00 43.53 H new ATOM 0 HB VAL A 431 -0.232 -9.328 -5.218 1.00 51.14 H new ATOM 0 HG11 VAL A 431 -0.462 -7.924 -7.280 1.00 52.05 H new ATOM 0 HG12 VAL A 431 1.196 -8.476 -6.945 1.00 52.05 H new ATOM 0 HG13 VAL A 431 0.232 -9.272 -8.211 1.00 52.05 H new ATOM 0 HG21 VAL A 431 -2.340 -9.047 -6.560 1.00 22.02 H new ATOM 0 HG22 VAL A 431 -1.970 -10.591 -7.364 1.00 22.02 H new ATOM 0 HG23 VAL A 431 -2.269 -10.551 -5.610 1.00 22.02 H new ATOM 587 N ILE A 432 0.131 -11.618 -3.567 1.00 32.45 N ATOM 588 CA ILE A 432 -0.674 -12.218 -2.438 1.00 24.33 C ATOM 589 C ILE A 432 -1.490 -11.102 -1.694 1.00 52.25 C ATOM 590 O ILE A 432 -2.715 -11.192 -1.649 1.00 72.10 O ATOM 591 CB ILE A 432 0.135 -13.144 -1.429 1.00 3.13 C ATOM 592 CG1 ILE A 432 1.537 -13.565 -2.007 1.00 23.54 C ATOM 593 CG2 ILE A 432 -0.690 -14.407 -1.070 1.00 0.33 C ATOM 594 CD1 ILE A 432 1.648 -14.905 -2.767 1.00 51.43 C ATOM 0 H ILE A 432 0.880 -10.990 -3.275 1.00 32.45 H new ATOM 0 HA ILE A 432 -1.364 -12.914 -2.916 1.00 24.33 H new ATOM 0 HB ILE A 432 0.311 -12.558 -0.527 1.00 3.13 H new ATOM 0 HG12 ILE A 432 1.870 -12.774 -2.679 1.00 23.54 H new ATOM 0 HG13 ILE A 432 2.242 -13.595 -1.177 1.00 23.54 H new ATOM 0 HG21 ILE A 432 -0.121 -15.029 -0.379 1.00 0.33 H new ATOM 0 HG22 ILE A 432 -1.628 -14.108 -0.601 1.00 0.33 H new ATOM 0 HG23 ILE A 432 -0.902 -14.973 -1.977 1.00 0.33 H new ATOM 0 HD11 ILE A 432 2.675 -15.050 -3.101 1.00 51.43 H new ATOM 0 HD12 ILE A 432 1.363 -15.723 -2.106 1.00 51.43 H new ATOM 0 HD13 ILE A 432 0.984 -14.889 -3.631 1.00 51.43 H new ATOM 606 N SER A 433 -0.829 -10.044 -1.138 1.00 62.12 N ATOM 607 CA SER A 433 -1.562 -8.802 -0.703 1.00 51.12 C ATOM 608 C SER A 433 -0.857 -7.516 -1.280 1.00 11.03 C ATOM 609 O SER A 433 0.383 -7.491 -1.324 1.00 52.32 O ATOM 610 CB SER A 433 -1.638 -8.713 0.854 1.00 31.40 C ATOM 611 OG SER A 433 -2.311 -7.531 1.279 1.00 51.14 O ATOM 0 H SER A 433 0.179 -10.018 -0.981 1.00 62.12 H new ATOM 0 HA SER A 433 -2.577 -8.858 -1.096 1.00 51.12 H new ATOM 0 HB2 SER A 433 -2.157 -9.588 1.244 1.00 31.40 H new ATOM 0 HB3 SER A 433 -0.630 -8.728 1.270 1.00 31.40 H new ATOM 0 HG SER A 433 -2.343 -7.507 2.258 1.00 51.14 H new ATOM 617 N ALA A 434 -1.637 -6.452 -1.753 1.00 35.01 N ATOM 618 CA ALA A 434 -1.044 -5.275 -2.458 1.00 45.33 C ATOM 619 C ALA A 434 -1.848 -3.949 -2.268 1.00 4.42 C ATOM 620 O ALA A 434 -2.909 -3.800 -2.895 1.00 44.44 O ATOM 621 CB ALA A 434 -1.097 -5.603 -3.947 1.00 22.14 C ATOM 0 H ALA A 434 -2.651 -6.407 -1.650 1.00 35.01 H new ATOM 0 HA ALA A 434 -0.045 -5.113 -2.054 1.00 45.33 H new ATOM 0 HB1 ALA A 434 -0.675 -4.775 -4.517 1.00 22.14 H new ATOM 0 HB2 ALA A 434 -0.521 -6.508 -4.141 1.00 22.14 H new ATOM 0 HB3 ALA A 434 -2.133 -5.760 -4.248 1.00 22.14 H new ATOM 627 N LYS A 435 -1.377 -2.976 -1.408 1.00 22.32 N ATOM 628 CA LYS A 435 -2.039 -1.613 -1.302 1.00 21.35 C ATOM 629 C LYS A 435 -1.098 -0.466 -0.752 1.00 34.52 C ATOM 630 O LYS A 435 -0.119 -0.768 -0.057 1.00 12.05 O ATOM 631 CB LYS A 435 -3.322 -1.673 -0.412 1.00 25.33 C ATOM 632 CG LYS A 435 -3.576 -3.031 0.279 1.00 42.33 C ATOM 633 CD LYS A 435 -4.654 -2.983 1.326 1.00 74.11 C ATOM 634 CE LYS A 435 -4.127 -2.398 2.624 1.00 42.11 C ATOM 635 NZ LYS A 435 -5.063 -2.631 3.752 1.00 71.11 N ATOM 0 H LYS A 435 -0.570 -3.100 -0.797 1.00 22.32 H new ATOM 0 HA LYS A 435 -2.293 -1.357 -2.331 1.00 21.35 H new ATOM 0 HB2 LYS A 435 -3.251 -0.901 0.354 1.00 25.33 H new ATOM 0 HB3 LYS A 435 -4.186 -1.430 -1.030 1.00 25.33 H new ATOM 0 HG2 LYS A 435 -3.848 -3.768 -0.477 1.00 42.33 H new ATOM 0 HG3 LYS A 435 -2.649 -3.374 0.739 1.00 42.33 H new ATOM 0 HD2 LYS A 435 -5.489 -2.383 0.965 1.00 74.11 H new ATOM 0 HD3 LYS A 435 -5.037 -3.988 1.505 1.00 74.11 H new ATOM 0 HE2 LYS A 435 -3.159 -2.842 2.857 1.00 42.11 H new ATOM 0 HE3 LYS A 435 -3.965 -1.327 2.501 1.00 42.11 H new ATOM 0 HZ1 LYS A 435 -4.669 -2.217 4.621 1.00 71.11 H new ATOM 0 HZ2 LYS A 435 -5.979 -2.186 3.541 1.00 71.11 H new ATOM 0 HZ3 LYS A 435 -5.198 -3.654 3.886 1.00 71.11 H new ATOM 649 N VAL A 436 -1.384 0.855 -1.066 1.00 70.05 N ATOM 650 CA VAL A 436 -0.812 1.989 -0.244 1.00 34.41 C ATOM 651 C VAL A 436 -1.750 2.251 0.917 1.00 21.32 C ATOM 652 O VAL A 436 -2.962 2.373 0.678 1.00 70.22 O ATOM 653 CB VAL A 436 -0.564 3.410 -0.964 1.00 30.32 C ATOM 654 CG1 VAL A 436 0.902 3.609 -1.346 1.00 34.05 C ATOM 655 CG2 VAL A 436 -1.433 3.720 -2.191 1.00 44.14 C ATOM 0 H VAL A 436 -1.977 1.147 -1.843 1.00 70.05 H new ATOM 0 HA VAL A 436 0.183 1.630 0.020 1.00 34.41 H new ATOM 0 HB VAL A 436 -0.871 4.114 -0.191 1.00 30.32 H new ATOM 0 HG11 VAL A 436 1.024 4.579 -1.828 1.00 34.05 H new ATOM 0 HG12 VAL A 436 1.520 3.569 -0.449 1.00 34.05 H new ATOM 0 HG13 VAL A 436 1.209 2.821 -2.034 1.00 34.05 H new ATOM 0 HG21 VAL A 436 -1.171 4.702 -2.584 1.00 44.14 H new ATOM 0 HG22 VAL A 436 -1.262 2.965 -2.958 1.00 44.14 H new ATOM 0 HG23 VAL A 436 -2.484 3.713 -1.903 1.00 44.14 H new ATOM 665 N PHE A 437 -1.268 2.305 2.192 1.00 45.21 N ATOM 666 CA PHE A 437 -2.191 2.782 3.204 1.00 63.41 C ATOM 667 C PHE A 437 -2.087 4.302 3.307 1.00 75.42 C ATOM 668 O PHE A 437 -1.211 4.814 3.983 1.00 64.14 O ATOM 669 CB PHE A 437 -1.915 2.085 4.564 1.00 21.15 C ATOM 670 CG PHE A 437 -3.151 1.916 5.415 1.00 42.54 C ATOM 671 CD1 PHE A 437 -4.278 1.273 4.908 1.00 71.14 C ATOM 672 CD2 PHE A 437 -3.196 2.400 6.712 1.00 53.54 C ATOM 673 CE1 PHE A 437 -5.410 1.121 5.676 1.00 0.54 C ATOM 674 CE2 PHE A 437 -4.333 2.247 7.482 1.00 62.03 C ATOM 675 CZ PHE A 437 -5.440 1.608 6.963 1.00 35.53 C ATOM 0 H PHE A 437 -0.332 2.046 2.503 1.00 45.21 H new ATOM 0 HA PHE A 437 -3.213 2.530 2.920 1.00 63.41 H new ATOM 0 HB2 PHE A 437 -1.474 1.105 4.379 1.00 21.15 H new ATOM 0 HB3 PHE A 437 -1.178 2.666 5.118 1.00 21.15 H new ATOM 0 HD1 PHE A 437 -4.263 0.889 3.899 1.00 71.14 H new ATOM 0 HD2 PHE A 437 -2.334 2.902 7.126 1.00 53.54 H new ATOM 0 HE1 PHE A 437 -6.275 0.619 5.269 1.00 0.54 H new ATOM 0 HE2 PHE A 437 -4.355 2.628 8.492 1.00 62.03 H new ATOM 0 HZ PHE A 437 -6.329 1.490 7.565 1.00 35.53 H new ATOM 846 N PHE A 448 3.701 5.580 1.154 1.00 1.34 N ATOM 847 CA PHE A 448 4.571 4.410 1.246 1.00 75.31 C ATOM 848 C PHE A 448 3.754 3.100 1.297 1.00 71.01 C ATOM 849 O PHE A 448 2.783 2.962 2.061 1.00 70.23 O ATOM 850 CB PHE A 448 5.554 4.631 2.452 1.00 2.41 C ATOM 851 CG PHE A 448 5.525 3.661 3.617 1.00 73.42 C ATOM 852 CD1 PHE A 448 4.630 3.845 4.659 1.00 22.11 C ATOM 853 CD2 PHE A 448 6.409 2.589 3.691 1.00 62.13 C ATOM 854 CE1 PHE A 448 4.610 2.988 5.733 1.00 51.40 C ATOM 855 CE2 PHE A 448 6.388 1.731 4.767 1.00 73.41 C ATOM 856 CZ PHE A 448 5.487 1.929 5.786 1.00 71.31 C ATOM 0 HA PHE A 448 5.178 4.296 0.348 1.00 75.31 H new ATOM 0 HB2 PHE A 448 6.568 4.634 2.052 1.00 2.41 H new ATOM 0 HB3 PHE A 448 5.366 5.628 2.850 1.00 2.41 H new ATOM 0 HD1 PHE A 448 3.938 4.674 4.626 1.00 22.11 H new ATOM 0 HD2 PHE A 448 7.120 2.428 2.894 1.00 62.13 H new ATOM 0 HE1 PHE A 448 3.905 3.146 6.536 1.00 51.40 H new ATOM 0 HE2 PHE A 448 7.079 0.902 4.811 1.00 73.41 H new ATOM 0 HZ PHE A 448 5.467 1.253 6.628 1.00 71.31 H new ATOM 866 N GLY A 449 4.115 2.189 0.391 1.00 31.41 N ATOM 867 CA GLY A 449 3.541 0.816 0.366 1.00 51.21 C ATOM 868 C GLY A 449 4.599 -0.321 0.427 1.00 23.43 C ATOM 869 O GLY A 449 5.793 -0.033 0.452 1.00 34.21 O ATOM 0 H GLY A 449 4.802 2.365 -0.342 1.00 31.41 H new ATOM 0 HA2 GLY A 449 2.857 0.705 1.208 1.00 51.21 H new ATOM 0 HA3 GLY A 449 2.950 0.698 -0.542 1.00 51.21 H new ATOM 873 N PHE A 450 4.148 -1.613 0.465 1.00 13.53 N ATOM 874 CA PHE A 450 5.056 -2.814 0.615 1.00 75.33 C ATOM 875 C PHE A 450 4.370 -4.070 0.028 1.00 34.12 C ATOM 876 O PHE A 450 3.132 -4.073 -0.012 1.00 64.13 O ATOM 877 CB PHE A 450 5.534 -3.028 2.093 1.00 41.24 C ATOM 878 CG PHE A 450 4.547 -2.693 3.214 1.00 34.14 C ATOM 879 CD1 PHE A 450 3.451 -3.510 3.527 1.00 12.24 C ATOM 880 CD2 PHE A 450 4.750 -1.558 3.996 1.00 45.10 C ATOM 881 CE1 PHE A 450 2.608 -3.190 4.567 1.00 35.21 C ATOM 882 CE2 PHE A 450 3.892 -1.246 5.034 1.00 32.34 C ATOM 883 CZ PHE A 450 2.827 -2.060 5.319 1.00 52.11 C ATOM 0 H PHE A 450 3.160 -1.857 0.394 1.00 13.53 H new ATOM 0 HA PHE A 450 5.965 -2.624 0.044 1.00 75.33 H new ATOM 0 HB2 PHE A 450 5.826 -4.072 2.204 1.00 41.24 H new ATOM 0 HB3 PHE A 450 6.431 -2.429 2.246 1.00 41.24 H new ATOM 0 HD1 PHE A 450 3.266 -4.401 2.945 1.00 12.24 H new ATOM 0 HD2 PHE A 450 5.590 -0.912 3.788 1.00 45.10 H new ATOM 0 HE1 PHE A 450 1.769 -3.831 4.794 1.00 35.21 H new ATOM 0 HE2 PHE A 450 4.062 -0.357 5.623 1.00 32.34 H new ATOM 0 HZ PHE A 450 2.161 -1.814 6.133 1.00 52.11 H new ATOM 893 N VAL A 451 5.080 -5.160 -0.436 1.00 73.05 N ATOM 894 CA VAL A 451 4.296 -6.160 -1.212 1.00 22.14 C ATOM 895 C VAL A 451 4.808 -7.644 -1.075 1.00 24.14 C ATOM 896 O VAL A 451 5.966 -7.883 -0.730 1.00 70.13 O ATOM 897 CB VAL A 451 4.152 -5.613 -2.710 1.00 51.03 C ATOM 898 CG1 VAL A 451 5.462 -5.562 -3.394 1.00 3.11 C ATOM 899 CG2 VAL A 451 3.202 -6.363 -3.620 1.00 51.13 C ATOM 0 H VAL A 451 6.074 -5.347 -0.303 1.00 73.05 H new ATOM 0 HA VAL A 451 3.298 -6.254 -0.783 1.00 22.14 H new ATOM 0 HB VAL A 451 3.722 -4.624 -2.552 1.00 51.03 H new ATOM 0 HG11 VAL A 451 5.328 -5.186 -4.408 1.00 3.11 H new ATOM 0 HG12 VAL A 451 6.133 -4.899 -2.847 1.00 3.11 H new ATOM 0 HG13 VAL A 451 5.892 -6.563 -3.431 1.00 3.11 H new ATOM 0 HG21 VAL A 451 3.195 -5.894 -4.604 1.00 51.13 H new ATOM 0 HG22 VAL A 451 3.529 -7.398 -3.714 1.00 51.13 H new ATOM 0 HG23 VAL A 451 2.197 -6.337 -3.198 1.00 51.13 H new ATOM 909 N SER A 452 3.894 -8.620 -1.323 1.00 63.31 N ATOM 910 CA SER A 452 4.045 -10.018 -1.024 1.00 41.23 C ATOM 911 C SER A 452 4.380 -10.813 -2.319 1.00 25.32 C ATOM 912 O SER A 452 3.559 -10.824 -3.240 1.00 62.51 O ATOM 913 CB SER A 452 2.648 -10.438 -0.460 1.00 73.33 C ATOM 914 OG SER A 452 2.724 -11.657 0.248 1.00 44.01 O ATOM 0 H SER A 452 2.996 -8.413 -1.760 1.00 63.31 H new ATOM 0 HA SER A 452 4.854 -10.218 -0.322 1.00 41.23 H new ATOM 0 HB2 SER A 452 2.270 -9.656 0.198 1.00 73.33 H new ATOM 0 HB3 SER A 452 1.937 -10.536 -1.280 1.00 73.33 H new ATOM 0 HG SER A 452 1.951 -11.737 0.846 1.00 44.01 H new ATOM 920 N TYR A 453 5.576 -11.472 -2.405 1.00 32.53 N ATOM 921 CA TYR A 453 5.925 -12.267 -3.612 1.00 74.41 C ATOM 922 C TYR A 453 6.410 -13.705 -3.205 1.00 73.45 C ATOM 923 O TYR A 453 6.951 -13.817 -2.101 1.00 72.43 O ATOM 924 CB TYR A 453 6.986 -11.453 -4.439 1.00 54.24 C ATOM 925 CG TYR A 453 7.232 -11.965 -5.874 1.00 63.43 C ATOM 926 CD1 TYR A 453 7.897 -13.168 -6.165 1.00 32.25 C ATOM 927 CD2 TYR A 453 6.845 -11.190 -6.962 1.00 2.01 C ATOM 928 CE1 TYR A 453 8.157 -13.544 -7.461 1.00 54.54 C ATOM 929 CE2 TYR A 453 7.094 -11.564 -8.241 1.00 12.21 C ATOM 930 CZ TYR A 453 7.764 -12.741 -8.499 1.00 10.04 C ATOM 931 OH TYR A 453 8.027 -13.135 -9.793 1.00 33.42 O ATOM 0 H TYR A 453 6.289 -11.467 -1.676 1.00 32.53 H new ATOM 0 HA TYR A 453 5.053 -12.427 -4.246 1.00 74.41 H new ATOM 0 HB2 TYR A 453 6.663 -10.413 -4.491 1.00 54.24 H new ATOM 0 HB3 TYR A 453 7.932 -11.466 -3.898 1.00 54.24 H new ATOM 0 HD1 TYR A 453 8.210 -13.810 -5.355 1.00 32.25 H new ATOM 0 HD2 TYR A 453 6.329 -10.259 -6.782 1.00 2.01 H new ATOM 0 HE1 TYR A 453 8.671 -14.472 -7.661 1.00 54.54 H new ATOM 0 HE2 TYR A 453 6.767 -10.939 -9.059 1.00 12.21 H new ATOM 0 HH TYR A 453 7.598 -12.514 -10.418 1.00 33.42 H new ATOM 941 N ASP A 454 6.150 -14.812 -4.055 1.00 75.22 N ATOM 942 CA ASP A 454 6.623 -16.212 -3.777 1.00 53.43 C ATOM 943 C ASP A 454 8.012 -16.344 -3.102 1.00 10.12 C ATOM 944 O ASP A 454 8.075 -16.493 -1.887 1.00 73.53 O ATOM 945 CB ASP A 454 6.627 -17.063 -5.064 1.00 1.12 C ATOM 946 CG ASP A 454 5.284 -17.115 -5.758 1.00 52.31 C ATOM 947 OD1 ASP A 454 5.006 -16.209 -6.572 1.00 12.23 O ATOM 948 OD2 ASP A 454 4.513 -18.059 -5.486 1.00 4.43 O ATOM 0 H ASP A 454 5.618 -14.730 -4.922 1.00 75.22 H new ATOM 0 HA ASP A 454 5.897 -16.578 -3.051 1.00 53.43 H new ATOM 0 HB2 ASP A 454 7.368 -16.660 -5.754 1.00 1.12 H new ATOM 0 HB3 ASP A 454 6.939 -18.078 -4.818 1.00 1.12 H new ATOM 953 N ASN A 455 9.116 -16.301 -3.865 1.00 21.22 N ATOM 954 CA ASN A 455 10.429 -16.674 -3.324 1.00 14.25 C ATOM 955 C ASN A 455 11.559 -15.866 -4.013 1.00 72.10 C ATOM 956 O ASN A 455 11.505 -15.674 -5.233 1.00 73.25 O ATOM 957 CB ASN A 455 10.613 -18.218 -3.512 1.00 33.34 C ATOM 958 CG ASN A 455 11.199 -18.989 -2.311 1.00 75.03 C ATOM 959 OD1 ASN A 455 12.000 -18.464 -1.542 1.00 43.03 O ATOM 960 ND2 ASN A 455 10.780 -20.271 -2.148 1.00 33.30 N ATOM 0 H ASN A 455 9.125 -16.016 -4.844 1.00 21.22 H new ATOM 0 HA ASN A 455 10.484 -16.434 -2.262 1.00 14.25 H new ATOM 0 HB2 ASN A 455 9.643 -18.651 -3.756 1.00 33.34 H new ATOM 0 HB3 ASN A 455 11.261 -18.383 -4.373 1.00 33.34 H new ATOM 0 HD21 ASN A 455 11.132 -20.827 -1.369 1.00 33.30 H new ATOM 0 HD22 ASN A 455 10.114 -20.677 -2.805 1.00 33.30 H new ATOM 967 N PRO A 456 12.559 -15.339 -3.208 1.00 53.11 N ATOM 968 CA PRO A 456 13.666 -14.443 -3.660 1.00 25.20 C ATOM 969 C PRO A 456 14.466 -14.750 -4.986 1.00 41.02 C ATOM 970 O PRO A 456 15.104 -13.810 -5.482 1.00 12.42 O ATOM 971 CB PRO A 456 14.636 -14.398 -2.458 1.00 74.54 C ATOM 972 CG PRO A 456 14.077 -15.309 -1.427 1.00 62.33 C ATOM 973 CD PRO A 456 12.621 -15.455 -1.721 1.00 22.02 C ATOM 0 HA PRO A 456 13.186 -13.510 -3.953 1.00 25.20 H new ATOM 0 HB2 PRO A 456 15.636 -14.716 -2.755 1.00 74.54 H new ATOM 0 HB3 PRO A 456 14.726 -13.383 -2.071 1.00 74.54 H new ATOM 0 HG2 PRO A 456 14.576 -16.278 -1.456 1.00 62.33 H new ATOM 0 HG3 PRO A 456 14.230 -14.902 -0.428 1.00 62.33 H new ATOM 0 HD2 PRO A 456 12.235 -16.414 -1.376 1.00 22.02 H new ATOM 0 HD3 PRO A 456 12.032 -14.679 -1.232 1.00 22.02 H new ATOM 981 N VAL A 457 14.448 -15.985 -5.604 1.00 12.51 N ATOM 982 CA VAL A 457 15.174 -16.154 -6.905 1.00 61.34 C ATOM 983 C VAL A 457 14.354 -15.532 -8.073 1.00 70.43 C ATOM 984 O VAL A 457 14.899 -15.206 -9.125 1.00 62.30 O ATOM 985 CB VAL A 457 15.687 -17.622 -7.279 1.00 30.43 C ATOM 986 CG1 VAL A 457 16.660 -18.167 -6.240 1.00 30.23 C ATOM 987 CG2 VAL A 457 14.585 -18.654 -7.518 1.00 54.40 C ATOM 0 H VAL A 457 13.975 -16.816 -5.250 1.00 12.51 H new ATOM 0 HA VAL A 457 16.104 -15.608 -6.748 1.00 61.34 H new ATOM 0 HB VAL A 457 16.194 -17.478 -8.233 1.00 30.43 H new ATOM 0 HG11 VAL A 457 16.983 -19.166 -6.533 1.00 30.23 H new ATOM 0 HG12 VAL A 457 17.527 -17.510 -6.173 1.00 30.23 H new ATOM 0 HG13 VAL A 457 16.166 -18.216 -5.269 1.00 30.23 H new ATOM 0 HG21 VAL A 457 15.035 -19.616 -7.765 1.00 54.40 H new ATOM 0 HG22 VAL A 457 13.981 -18.757 -6.617 1.00 54.40 H new ATOM 0 HG23 VAL A 457 13.953 -18.327 -8.343 1.00 54.40 H new ATOM 997 N SER A 458 13.036 -15.352 -7.857 1.00 41.33 N ATOM 998 CA SER A 458 12.131 -14.719 -8.840 1.00 22.30 C ATOM 999 C SER A 458 12.024 -13.152 -8.751 1.00 73.33 C ATOM 1000 O SER A 458 11.634 -12.548 -9.757 1.00 23.51 O ATOM 1001 CB SER A 458 10.720 -15.399 -8.766 1.00 13.12 C ATOM 1002 OG SER A 458 10.817 -16.761 -9.150 1.00 21.32 O ATOM 0 H SER A 458 12.568 -15.640 -6.998 1.00 41.33 H new ATOM 0 HA SER A 458 12.583 -14.890 -9.817 1.00 22.30 H new ATOM 0 HB2 SER A 458 10.325 -15.326 -7.753 1.00 13.12 H new ATOM 0 HB3 SER A 458 10.021 -14.877 -9.420 1.00 13.12 H new ATOM 0 HG SER A 458 9.932 -17.179 -9.099 1.00 21.32 H new ATOM 1008 N ALA A 459 12.372 -12.456 -7.615 1.00 15.35 N ATOM 1009 CA ALA A 459 12.012 -11.025 -7.523 1.00 41.12 C ATOM 1010 C ALA A 459 13.066 -10.013 -8.054 1.00 61.25 C ATOM 1011 O ALA A 459 12.643 -8.971 -8.521 1.00 24.42 O ATOM 1012 CB ALA A 459 11.496 -10.611 -6.121 1.00 15.33 C ATOM 0 H ALA A 459 12.867 -12.843 -6.811 1.00 15.35 H new ATOM 0 HA ALA A 459 11.183 -10.955 -8.228 1.00 41.12 H new ATOM 0 HB1 ALA A 459 11.250 -9.549 -6.123 1.00 15.33 H new ATOM 0 HB2 ALA A 459 10.605 -11.190 -5.876 1.00 15.33 H new ATOM 0 HB3 ALA A 459 12.269 -10.803 -5.377 1.00 15.33 H new ATOM 1018 N GLN A 460 14.405 -10.274 -7.985 1.00 23.34 N ATOM 1019 CA GLN A 460 15.433 -9.303 -8.485 1.00 74.45 C ATOM 1020 C GLN A 460 15.316 -8.997 -10.007 1.00 52.12 C ATOM 1021 O GLN A 460 15.617 -7.873 -10.432 1.00 12.32 O ATOM 1022 CB GLN A 460 16.879 -9.686 -7.988 1.00 12.11 C ATOM 1023 CG GLN A 460 18.092 -9.461 -8.927 1.00 44.11 C ATOM 1024 CD GLN A 460 19.349 -9.094 -8.138 1.00 15.11 C ATOM 1025 OE1 GLN A 460 19.274 -8.376 -7.145 1.00 55.12 O ATOM 1026 NE2 GLN A 460 20.497 -9.639 -8.525 1.00 34.13 N ATOM 0 H GLN A 460 14.795 -11.132 -7.596 1.00 23.34 H new ATOM 0 HA GLN A 460 15.215 -8.338 -8.027 1.00 74.45 H new ATOM 0 HB2 GLN A 460 17.068 -9.128 -7.071 1.00 12.11 H new ATOM 0 HB3 GLN A 460 16.864 -10.743 -7.721 1.00 12.11 H new ATOM 0 HG2 GLN A 460 18.276 -10.365 -9.508 1.00 44.11 H new ATOM 0 HG3 GLN A 460 17.862 -8.667 -9.637 1.00 44.11 H new ATOM 0 HE21 GLN A 460 20.526 -10.231 -9.355 1.00 34.13 H new ATOM 0 HE22 GLN A 460 21.349 -9.465 -7.992 1.00 34.13 H new ATOM 1035 N ALA A 461 14.894 -9.990 -10.808 1.00 3.52 N ATOM 1036 CA ALA A 461 14.302 -9.748 -12.150 1.00 54.54 C ATOM 1037 C ALA A 461 13.204 -8.533 -12.246 1.00 45.11 C ATOM 1038 O ALA A 461 13.184 -7.880 -13.297 1.00 12.34 O ATOM 1039 CB ALA A 461 13.882 -11.134 -12.791 1.00 64.52 C ATOM 0 H ALA A 461 14.949 -10.976 -10.554 1.00 3.52 H new ATOM 0 HA ALA A 461 15.077 -9.318 -12.785 1.00 54.54 H new ATOM 0 HB1 ALA A 461 13.447 -10.963 -13.776 1.00 64.52 H new ATOM 0 HB2 ALA A 461 14.761 -11.771 -12.889 1.00 64.52 H new ATOM 0 HB3 ALA A 461 13.148 -11.624 -12.151 1.00 64.52 H new ATOM 1045 N ALA A 462 12.313 -8.180 -11.190 1.00 35.24 N ATOM 1046 CA ALA A 462 11.546 -6.842 -11.173 1.00 10.05 C ATOM 1047 C ALA A 462 12.354 -5.696 -10.488 1.00 43.41 C ATOM 1048 O ALA A 462 12.492 -4.616 -11.076 1.00 30.51 O ATOM 1049 CB ALA A 462 10.148 -6.949 -10.525 1.00 63.31 C ATOM 0 H ALA A 462 12.125 -8.779 -10.386 1.00 35.24 H new ATOM 0 HA ALA A 462 11.410 -6.591 -12.225 1.00 10.05 H new ATOM 0 HB1 ALA A 462 9.662 -5.974 -10.545 1.00 63.31 H new ATOM 0 HB2 ALA A 462 9.544 -7.667 -11.080 1.00 63.31 H new ATOM 0 HB3 ALA A 462 10.250 -7.282 -9.492 1.00 63.31 H new ATOM 1055 N ILE A 463 12.820 -5.948 -9.225 1.00 11.22 N ATOM 1056 CA ILE A 463 13.577 -4.993 -8.348 1.00 32.31 C ATOM 1057 C ILE A 463 14.656 -4.087 -9.074 1.00 1.52 C ATOM 1058 O ILE A 463 14.706 -2.891 -8.773 1.00 41.11 O ATOM 1059 CB ILE A 463 14.172 -5.730 -7.032 1.00 13.33 C ATOM 1060 CG1 ILE A 463 13.123 -6.743 -6.455 1.00 14.12 C ATOM 1061 CG2 ILE A 463 14.594 -4.723 -5.925 1.00 44.22 C ATOM 1062 CD1 ILE A 463 13.571 -7.597 -5.255 1.00 13.24 C ATOM 0 H ILE A 463 12.675 -6.851 -8.774 1.00 11.22 H new ATOM 0 HA ILE A 463 12.823 -4.273 -8.028 1.00 32.31 H new ATOM 0 HB ILE A 463 15.068 -6.265 -7.346 1.00 13.33 H new ATOM 0 HG12 ILE A 463 12.236 -6.183 -6.161 1.00 14.12 H new ATOM 0 HG13 ILE A 463 12.823 -7.416 -7.258 1.00 14.12 H new ATOM 0 HG21 ILE A 463 14.985 -5.269 -5.067 1.00 44.22 H new ATOM 0 HG22 ILE A 463 15.365 -4.057 -6.313 1.00 44.22 H new ATOM 0 HG23 ILE A 463 13.728 -4.136 -5.618 1.00 44.22 H new ATOM 0 HD11 ILE A 463 12.756 -8.255 -4.952 1.00 13.24 H new ATOM 0 HD12 ILE A 463 14.436 -8.197 -5.538 1.00 13.24 H new ATOM 0 HD13 ILE A 463 13.839 -6.945 -4.424 1.00 13.24 H new ATOM 1074 N GLN A 464 15.496 -4.596 -10.019 1.00 54.41 N ATOM 1075 CA GLN A 464 16.472 -3.716 -10.725 1.00 45.41 C ATOM 1076 C GLN A 464 16.002 -3.052 -12.095 1.00 64.21 C ATOM 1077 O GLN A 464 16.546 -2.000 -12.419 1.00 72.31 O ATOM 1078 CB GLN A 464 17.926 -4.353 -10.799 1.00 35.13 C ATOM 1079 CG GLN A 464 18.528 -4.741 -9.431 1.00 41.41 C ATOM 1080 CD GLN A 464 18.452 -3.650 -8.373 1.00 2.04 C ATOM 1081 OE1 GLN A 464 18.490 -2.454 -8.662 1.00 33.42 O ATOM 1082 NE2 GLN A 464 18.340 -4.071 -7.127 1.00 71.41 N ATOM 0 H GLN A 464 15.519 -5.576 -10.302 1.00 54.41 H new ATOM 0 HA GLN A 464 16.524 -2.847 -10.069 1.00 45.41 H new ATOM 0 HB2 GLN A 464 17.888 -5.241 -11.429 1.00 35.13 H new ATOM 0 HB3 GLN A 464 18.595 -3.644 -11.288 1.00 35.13 H new ATOM 0 HG2 GLN A 464 18.011 -5.626 -9.059 1.00 41.41 H new ATOM 0 HG3 GLN A 464 19.572 -5.018 -9.574 1.00 41.41 H new ATOM 0 HE21 GLN A 464 18.312 -5.071 -6.927 1.00 71.41 H new ATOM 0 HE22 GLN A 464 18.282 -3.397 -6.364 1.00 71.41 H new ATOM 1091 N ALA A 465 15.024 -3.598 -12.919 1.00 23.32 N ATOM 1092 CA ALA A 465 14.524 -2.830 -14.134 1.00 65.00 C ATOM 1093 C ALA A 465 13.572 -1.597 -13.784 1.00 61.40 C ATOM 1094 O ALA A 465 13.214 -0.824 -14.677 1.00 32.21 O ATOM 1095 CB ALA A 465 13.957 -3.756 -15.300 1.00 71.21 C ATOM 0 H ALA A 465 14.590 -4.510 -12.777 1.00 23.32 H new ATOM 0 HA ALA A 465 15.425 -2.377 -14.547 1.00 65.00 H new ATOM 0 HB1 ALA A 465 13.621 -3.133 -16.129 1.00 71.21 H new ATOM 0 HB2 ALA A 465 14.743 -4.427 -15.646 1.00 71.21 H new ATOM 0 HB3 ALA A 465 13.119 -4.342 -14.924 1.00 71.21 H new ATOM 1101 N MET A 466 13.198 -1.405 -12.485 1.00 34.12 N ATOM 1102 CA MET A 466 12.373 -0.234 -12.003 1.00 73.30 C ATOM 1103 C MET A 466 13.185 0.737 -11.099 1.00 40.20 C ATOM 1104 O MET A 466 12.595 1.634 -10.481 1.00 4.34 O ATOM 1105 CB MET A 466 11.142 -0.723 -11.188 1.00 14.25 C ATOM 1106 CG MET A 466 9.756 -0.456 -11.814 1.00 63.04 C ATOM 1107 SD MET A 466 8.453 -1.451 -11.053 1.00 12.12 S ATOM 1108 CE MET A 466 7.674 -0.267 -9.959 1.00 42.15 C ATOM 0 H MET A 466 13.454 -2.050 -11.738 1.00 34.12 H new ATOM 0 HA MET A 466 12.057 0.297 -12.901 1.00 73.30 H new ATOM 0 HB2 MET A 466 11.243 -1.796 -11.027 1.00 14.25 H new ATOM 0 HB3 MET A 466 11.171 -0.249 -10.207 1.00 14.25 H new ATOM 0 HG2 MET A 466 9.510 0.601 -11.709 1.00 63.04 H new ATOM 0 HG3 MET A 466 9.796 -0.670 -12.882 1.00 63.04 H new ATOM 0 HE1 MET A 466 6.912 -0.769 -9.363 1.00 42.15 H new ATOM 0 HE2 MET A 466 8.425 0.166 -9.298 1.00 42.15 H new ATOM 0 HE3 MET A 466 7.210 0.523 -10.549 1.00 42.15 H new ATOM 1118 N ASN A 467 14.526 0.587 -11.044 1.00 3.01 N ATOM 1119 CA ASN A 467 15.385 1.327 -10.076 1.00 15.51 C ATOM 1120 C ASN A 467 15.737 2.751 -10.622 1.00 1.23 C ATOM 1121 O ASN A 467 16.513 2.819 -11.581 1.00 4.44 O ATOM 1122 CB ASN A 467 16.696 0.519 -9.806 1.00 55.15 C ATOM 1123 CG ASN A 467 17.432 0.965 -8.515 1.00 63.31 C ATOM 1124 OD1 ASN A 467 18.662 1.017 -8.499 1.00 64.51 O ATOM 1125 ND2 ASN A 467 16.715 1.242 -7.397 1.00 71.11 N ATOM 0 H ASN A 467 15.045 -0.041 -11.658 1.00 3.01 H new ATOM 0 HA ASN A 467 14.834 1.444 -9.143 1.00 15.51 H new ATOM 0 HB2 ASN A 467 16.453 -0.541 -9.731 1.00 55.15 H new ATOM 0 HB3 ASN A 467 17.367 0.633 -10.657 1.00 55.15 H new ATOM 0 HD21 ASN A 467 17.195 1.496 -6.533 1.00 71.11 H new ATOM 0 HD22 ASN A 467 15.696 1.196 -7.420 1.00 71.11 H new ATOM 1132 N GLY A 468 15.202 3.907 -10.062 1.00 0.34 N ATOM 1133 CA GLY A 468 15.616 5.196 -10.621 1.00 61.20 C ATOM 1134 C GLY A 468 14.865 5.597 -11.897 1.00 44.11 C ATOM 1135 O GLY A 468 15.335 6.467 -12.628 1.00 64.22 O ATOM 0 H GLY A 468 14.539 3.944 -9.288 1.00 0.34 H new ATOM 0 HA2 GLY A 468 15.469 5.970 -9.868 1.00 61.20 H new ATOM 0 HA3 GLY A 468 16.684 5.160 -10.837 1.00 61.20 H new ATOM 1139 N PHE A 469 13.698 4.994 -12.147 1.00 21.24 N ATOM 1140 CA PHE A 469 13.134 4.917 -13.492 1.00 1.34 C ATOM 1141 C PHE A 469 12.084 6.035 -13.576 1.00 70.40 C ATOM 1142 O PHE A 469 11.056 5.959 -12.886 1.00 55.31 O ATOM 1143 CB PHE A 469 12.573 3.447 -13.735 1.00 33.44 C ATOM 1144 CG PHE A 469 11.768 3.188 -15.007 1.00 13.23 C ATOM 1145 CD1 PHE A 469 12.100 3.733 -16.253 1.00 65.34 C ATOM 1146 CD2 PHE A 469 10.671 2.340 -14.942 1.00 75.43 C ATOM 1147 CE1 PHE A 469 11.347 3.437 -17.379 1.00 42.42 C ATOM 1148 CE2 PHE A 469 9.920 2.051 -16.060 1.00 34.10 C ATOM 1149 CZ PHE A 469 10.253 2.598 -17.279 1.00 51.51 C ATOM 0 H PHE A 469 13.125 4.551 -11.429 1.00 21.24 H new ATOM 0 HA PHE A 469 13.860 5.077 -14.289 1.00 1.34 H new ATOM 0 HB2 PHE A 469 13.420 2.761 -13.731 1.00 33.44 H new ATOM 0 HB3 PHE A 469 11.946 3.184 -12.883 1.00 33.44 H new ATOM 0 HD1 PHE A 469 12.952 4.391 -16.338 1.00 65.34 H new ATOM 0 HD2 PHE A 469 10.401 1.897 -13.995 1.00 75.43 H new ATOM 0 HE1 PHE A 469 11.615 3.862 -18.335 1.00 42.42 H new ATOM 0 HE2 PHE A 469 9.067 1.393 -15.980 1.00 34.10 H new ATOM 0 HZ PHE A 469 9.661 2.372 -18.154 1.00 51.51 H new ATOM 1159 N GLN A 470 12.371 7.101 -14.370 1.00 34.14 N ATOM 1160 CA GLN A 470 11.499 8.271 -14.409 1.00 53.54 C ATOM 1161 C GLN A 470 10.202 8.014 -15.171 1.00 23.32 C ATOM 1162 O GLN A 470 10.213 7.529 -16.302 1.00 64.43 O ATOM 1163 CB GLN A 470 12.249 9.468 -15.015 1.00 11.14 C ATOM 1164 CG GLN A 470 12.788 10.440 -13.967 1.00 63.53 C ATOM 1165 CD GLN A 470 11.680 11.164 -13.202 1.00 63.21 C ATOM 1166 OE1 GLN A 470 10.581 11.497 -13.879 1.00 14.43 O flip ATOM 1167 NE2 GLN A 470 11.822 11.451 -12.018 1.00 52.02 N flip ATOM 0 H GLN A 470 13.189 7.160 -14.977 1.00 34.14 H new ATOM 0 HA GLN A 470 11.220 8.498 -13.380 1.00 53.54 H new ATOM 0 HB2 GLN A 470 13.078 9.100 -15.619 1.00 11.14 H new ATOM 0 HB3 GLN A 470 11.579 10.005 -15.687 1.00 11.14 H new ATOM 0 HG2 GLN A 470 13.414 9.895 -13.261 1.00 63.53 H new ATOM 0 HG3 GLN A 470 13.426 11.176 -14.456 1.00 63.53 H new ATOM 0 HE21 GLN A 470 12.675 11.182 -11.527 1.00 52.02 H new ATOM 0 HE22 GLN A 470 11.087 11.958 -11.525 1.00 52.02 H new ATOM 1176 N ILE A 471 9.082 8.373 -14.532 1.00 11.22 N ATOM 1177 CA ILE A 471 7.748 8.149 -15.076 1.00 52.01 C ATOM 1178 C ILE A 471 6.932 9.456 -14.776 1.00 61.43 C ATOM 1179 O ILE A 471 6.476 9.627 -13.638 1.00 63.23 O ATOM 1180 CB ILE A 471 7.049 6.828 -14.447 1.00 5.40 C ATOM 1181 CG1 ILE A 471 7.761 5.502 -14.927 1.00 14.33 C ATOM 1182 CG2 ILE A 471 5.532 6.757 -14.737 1.00 41.23 C ATOM 1183 CD1 ILE A 471 7.097 4.184 -14.495 1.00 63.40 C ATOM 0 H ILE A 471 9.082 8.829 -13.619 1.00 11.22 H new ATOM 0 HA ILE A 471 7.788 7.956 -16.148 1.00 52.01 H new ATOM 0 HB ILE A 471 7.171 6.915 -13.367 1.00 5.40 H new ATOM 0 HG12 ILE A 471 7.817 5.517 -16.015 1.00 14.33 H new ATOM 0 HG13 ILE A 471 8.785 5.508 -14.555 1.00 14.33 H new ATOM 0 HG21 ILE A 471 5.118 5.852 -14.292 1.00 41.23 H new ATOM 0 HG22 ILE A 471 5.039 7.630 -14.310 1.00 41.23 H new ATOM 0 HG23 ILE A 471 5.368 6.739 -15.814 1.00 41.23 H new ATOM 0 HD11 ILE A 471 7.672 3.343 -14.882 1.00 63.40 H new ATOM 0 HD12 ILE A 471 7.065 4.132 -13.407 1.00 63.40 H new ATOM 0 HD13 ILE A 471 6.082 4.141 -14.890 1.00 63.40 H new ATOM 1195 N GLY A 472 6.857 10.458 -15.733 1.00 34.13 N ATOM 1196 CA GLY A 472 6.039 11.651 -15.485 1.00 21.13 C ATOM 1197 C GLY A 472 6.790 12.668 -14.649 1.00 24.15 C ATOM 1198 O GLY A 472 7.797 13.230 -15.092 1.00 73.10 O ATOM 0 H GLY A 472 7.339 10.441 -16.632 1.00 34.13 H new ATOM 0 HA2 GLY A 472 5.749 12.100 -16.435 1.00 21.13 H new ATOM 0 HA3 GLY A 472 5.120 11.365 -14.974 1.00 21.13 H new ATOM 1202 N MET A 473 6.319 12.883 -13.427 1.00 34.52 N ATOM 1203 CA MET A 473 6.987 13.827 -12.515 1.00 1.53 C ATOM 1204 C MET A 473 7.480 13.146 -11.210 1.00 3.32 C ATOM 1205 O MET A 473 7.866 13.830 -10.261 1.00 2.11 O ATOM 1206 CB MET A 473 6.109 15.109 -12.241 1.00 24.44 C ATOM 1207 CG MET A 473 4.684 14.890 -11.697 1.00 65.41 C ATOM 1208 SD MET A 473 4.632 14.486 -9.939 1.00 20.20 S ATOM 1209 CE MET A 473 2.866 14.307 -9.691 1.00 41.42 C ATOM 0 H MET A 473 5.491 12.429 -13.041 1.00 34.52 H new ATOM 0 HA MET A 473 7.885 14.173 -13.027 1.00 1.53 H new ATOM 0 HB2 MET A 473 6.646 15.740 -11.533 1.00 24.44 H new ATOM 0 HB3 MET A 473 6.031 15.669 -13.173 1.00 24.44 H new ATOM 0 HG2 MET A 473 4.096 15.791 -11.871 1.00 65.41 H new ATOM 0 HG3 MET A 473 4.210 14.086 -12.260 1.00 65.41 H new ATOM 0 HE1 MET A 473 2.669 14.056 -8.649 1.00 41.42 H new ATOM 0 HE2 MET A 473 2.367 15.244 -9.939 1.00 41.42 H new ATOM 0 HE3 MET A 473 2.487 13.512 -10.334 1.00 41.42 H new ATOM 1219 N LYS A 474 7.536 11.798 -11.175 1.00 11.31 N ATOM 1220 CA LYS A 474 7.979 11.083 -9.931 1.00 21.41 C ATOM 1221 C LYS A 474 8.950 9.912 -10.277 1.00 25.22 C ATOM 1222 O LYS A 474 9.004 9.486 -11.433 1.00 61.32 O ATOM 1223 CB LYS A 474 6.775 10.515 -9.078 1.00 20.44 C ATOM 1224 CG LYS A 474 5.827 11.477 -8.265 1.00 44.33 C ATOM 1225 CD LYS A 474 6.369 11.943 -6.860 1.00 54.14 C ATOM 1226 CE LYS A 474 7.511 12.989 -6.881 1.00 51.33 C ATOM 1227 NZ LYS A 474 7.066 14.282 -7.463 1.00 22.11 N ATOM 0 H LYS A 474 7.292 11.189 -11.956 1.00 11.31 H new ATOM 0 HA LYS A 474 8.492 11.832 -9.328 1.00 21.41 H new ATOM 0 HB2 LYS A 474 6.143 9.945 -9.759 1.00 20.44 H new ATOM 0 HB3 LYS A 474 7.196 9.806 -8.366 1.00 20.44 H new ATOM 0 HG2 LYS A 474 5.632 12.362 -8.871 1.00 44.33 H new ATOM 0 HG3 LYS A 474 4.871 10.975 -8.117 1.00 44.33 H new ATOM 0 HD2 LYS A 474 5.536 12.356 -6.291 1.00 54.14 H new ATOM 0 HD3 LYS A 474 6.719 11.064 -6.319 1.00 54.14 H new ATOM 0 HE2 LYS A 474 7.872 13.153 -5.866 1.00 51.33 H new ATOM 0 HE3 LYS A 474 8.349 12.600 -7.459 1.00 51.33 H new ATOM 0 HZ1 LYS A 474 7.556 15.065 -6.985 1.00 22.11 H new ATOM 0 HZ2 LYS A 474 7.291 14.301 -8.478 1.00 22.11 H new ATOM 0 HZ3 LYS A 474 6.039 14.386 -7.334 1.00 22.11 H new ATOM 1241 N ARG A 475 9.703 9.375 -9.270 1.00 40.13 N ATOM 1242 CA ARG A 475 10.679 8.275 -9.517 1.00 10.44 C ATOM 1243 C ARG A 475 10.512 7.132 -8.503 1.00 11.44 C ATOM 1244 O ARG A 475 10.325 7.387 -7.308 1.00 32.52 O ATOM 1245 CB ARG A 475 12.170 8.781 -9.467 1.00 54.01 C ATOM 1246 CG ARG A 475 12.484 10.221 -8.887 1.00 15.03 C ATOM 1247 CD ARG A 475 12.639 10.380 -7.332 1.00 62.23 C ATOM 1248 NE ARG A 475 13.254 9.212 -6.684 1.00 1.12 N ATOM 1249 CZ ARG A 475 14.486 9.205 -6.133 1.00 4.03 C ATOM 1250 NH1 ARG A 475 15.253 10.290 -6.133 1.00 53.14 N ATOM 1251 NH2 ARG A 475 14.929 8.102 -5.550 1.00 30.23 N ATOM 0 H ARG A 475 9.653 9.681 -8.298 1.00 40.13 H new ATOM 0 HA ARG A 475 10.464 7.906 -10.520 1.00 10.44 H new ATOM 0 HB2 ARG A 475 12.740 8.061 -8.880 1.00 54.01 H new ATOM 0 HB3 ARG A 475 12.562 8.745 -10.484 1.00 54.01 H new ATOM 0 HG2 ARG A 475 13.406 10.572 -9.351 1.00 15.03 H new ATOM 0 HG3 ARG A 475 11.688 10.891 -9.212 1.00 15.03 H new ATOM 0 HD2 ARG A 475 13.244 11.262 -7.123 1.00 62.23 H new ATOM 0 HD3 ARG A 475 11.657 10.555 -6.892 1.00 62.23 H new ATOM 0 HE ARG A 475 12.713 8.348 -6.649 1.00 1.12 H new ATOM 0 HH11 ARG A 475 14.914 11.154 -6.556 1.00 53.14 H new ATOM 0 HH12 ARG A 475 16.181 10.259 -5.710 1.00 53.14 H new ATOM 0 HH21 ARG A 475 14.341 7.269 -5.521 1.00 30.23 H new ATOM 0 HH22 ARG A 475 15.858 8.085 -5.130 1.00 30.23 H new ATOM 1265 N LEU A 476 10.637 5.869 -8.974 1.00 34.33 N ATOM 1266 CA LEU A 476 10.507 4.698 -8.063 1.00 63.50 C ATOM 1267 C LEU A 476 11.939 4.275 -7.560 1.00 10.33 C ATOM 1268 O LEU A 476 12.744 3.864 -8.394 1.00 42.44 O ATOM 1269 CB LEU A 476 9.858 3.420 -8.766 1.00 13.34 C ATOM 1270 CG LEU A 476 8.450 3.438 -9.510 1.00 24.54 C ATOM 1271 CD1 LEU A 476 7.274 3.913 -8.664 1.00 62.53 C ATOM 1272 CD2 LEU A 476 8.476 4.204 -10.834 1.00 74.05 C ATOM 0 H LEU A 476 10.822 5.634 -9.949 1.00 34.33 H new ATOM 0 HA LEU A 476 9.853 5.012 -7.250 1.00 63.50 H new ATOM 0 HB2 LEU A 476 10.586 3.072 -9.499 1.00 13.34 H new ATOM 0 HB3 LEU A 476 9.787 2.651 -7.997 1.00 13.34 H new ATOM 0 HG LEU A 476 8.279 2.382 -9.717 1.00 24.54 H new ATOM 0 HD11 LEU A 476 6.363 3.888 -9.261 1.00 62.53 H new ATOM 0 HD12 LEU A 476 7.159 3.258 -7.800 1.00 62.53 H new ATOM 0 HD13 LEU A 476 7.458 4.932 -8.325 1.00 62.53 H new ATOM 0 HD21 LEU A 476 7.486 4.178 -11.289 1.00 74.05 H new ATOM 0 HD22 LEU A 476 8.763 5.239 -10.650 1.00 74.05 H new ATOM 0 HD23 LEU A 476 9.197 3.742 -11.508 1.00 74.05 H new ATOM 1284 N LYS A 477 12.321 4.417 -6.240 1.00 23.22 N ATOM 1285 CA LYS A 477 13.548 3.712 -5.742 1.00 62.41 C ATOM 1286 C LYS A 477 13.167 2.487 -4.879 1.00 60.11 C ATOM 1287 O LYS A 477 12.393 2.637 -3.928 1.00 73.52 O ATOM 1288 CB LYS A 477 14.446 4.681 -4.917 1.00 64.41 C ATOM 1289 CG LYS A 477 15.773 4.062 -4.422 1.00 15.42 C ATOM 1290 CD LYS A 477 16.608 5.024 -3.559 1.00 31.21 C ATOM 1291 CE LYS A 477 17.918 4.379 -3.083 1.00 40.25 C ATOM 1292 NZ LYS A 477 18.775 5.338 -2.325 1.00 14.05 N ATOM 0 H LYS A 477 11.828 4.978 -5.546 1.00 23.22 H new ATOM 0 HA LYS A 477 14.109 3.367 -6.611 1.00 62.41 H new ATOM 0 HB2 LYS A 477 14.673 5.554 -5.528 1.00 64.41 H new ATOM 0 HB3 LYS A 477 13.881 5.034 -4.055 1.00 64.41 H new ATOM 0 HG2 LYS A 477 15.554 3.164 -3.845 1.00 15.42 H new ATOM 0 HG3 LYS A 477 16.364 3.751 -5.283 1.00 15.42 H new ATOM 0 HD2 LYS A 477 16.834 5.923 -4.133 1.00 31.21 H new ATOM 0 HD3 LYS A 477 16.023 5.337 -2.694 1.00 31.21 H new ATOM 0 HE2 LYS A 477 17.690 3.520 -2.451 1.00 40.25 H new ATOM 0 HE3 LYS A 477 18.470 4.003 -3.944 1.00 40.25 H new ATOM 0 HZ1 LYS A 477 19.648 4.860 -2.023 1.00 14.05 H new ATOM 0 HZ2 LYS A 477 19.015 6.146 -2.935 1.00 14.05 H new ATOM 0 HZ3 LYS A 477 18.259 5.678 -1.488 1.00 14.05 H new ATOM 1306 N VAL A 478 13.702 1.272 -5.189 1.00 43.21 N ATOM 1307 CA VAL A 478 13.251 0.064 -4.506 1.00 75.30 C ATOM 1308 C VAL A 478 14.463 -0.862 -4.223 1.00 24.13 C ATOM 1309 O VAL A 478 15.466 -0.796 -4.948 1.00 60.34 O ATOM 1310 CB VAL A 478 12.070 -0.622 -5.293 1.00 23.43 C ATOM 1311 CG1 VAL A 478 12.351 -2.035 -5.714 1.00 23.14 C ATOM 1312 CG2 VAL A 478 10.803 -0.632 -4.460 1.00 41.24 C ATOM 0 H VAL A 478 14.426 1.123 -5.891 1.00 43.21 H new ATOM 0 HA VAL A 478 12.828 0.317 -3.534 1.00 75.30 H new ATOM 0 HB VAL A 478 11.952 -0.020 -6.194 1.00 23.43 H new ATOM 0 HG11 VAL A 478 11.489 -2.434 -6.249 1.00 23.14 H new ATOM 0 HG12 VAL A 478 13.224 -2.053 -6.367 1.00 23.14 H new ATOM 0 HG13 VAL A 478 12.545 -2.646 -4.832 1.00 23.14 H new ATOM 0 HG21 VAL A 478 10.001 -1.110 -5.023 1.00 41.24 H new ATOM 0 HG22 VAL A 478 10.979 -1.185 -3.537 1.00 41.24 H new ATOM 0 HG23 VAL A 478 10.517 0.392 -4.220 1.00 41.24 H new ATOM 1322 N GLN A 479 14.395 -1.677 -3.143 1.00 35.12 N ATOM 1323 CA GLN A 479 15.581 -2.439 -2.672 1.00 35.24 C ATOM 1324 C GLN A 479 15.213 -3.713 -1.873 1.00 31.55 C ATOM 1325 O GLN A 479 14.058 -3.885 -1.467 1.00 51.43 O ATOM 1326 CB GLN A 479 16.507 -1.524 -1.860 1.00 11.32 C ATOM 1327 CG GLN A 479 17.950 -1.551 -2.374 1.00 60.34 C ATOM 1328 CD GLN A 479 18.887 -0.600 -1.647 1.00 21.14 C ATOM 1329 OE1 GLN A 479 18.471 0.443 -1.145 1.00 41.41 O ATOM 1330 NE2 GLN A 479 20.164 -0.956 -1.598 1.00 50.43 N ATOM 0 H GLN A 479 13.551 -1.824 -2.590 1.00 35.12 H new ATOM 0 HA GLN A 479 16.108 -2.788 -3.560 1.00 35.24 H new ATOM 0 HB2 GLN A 479 16.129 -0.502 -1.899 1.00 11.32 H new ATOM 0 HB3 GLN A 479 16.491 -1.831 -0.814 1.00 11.32 H new ATOM 0 HG2 GLN A 479 18.338 -2.566 -2.283 1.00 60.34 H new ATOM 0 HG3 GLN A 479 17.951 -1.304 -3.436 1.00 60.34 H new ATOM 0 HE21 GLN A 479 20.467 -1.830 -2.028 1.00 50.43 H new ATOM 0 HE22 GLN A 479 20.843 -0.356 -1.131 1.00 50.43 H new ATOM 1339 N LEU A 480 16.225 -4.595 -1.649 1.00 22.10 N ATOM 1340 CA LEU A 480 16.012 -5.914 -0.927 1.00 4.22 C ATOM 1341 C LEU A 480 16.021 -5.543 0.593 1.00 55.51 C ATOM 1342 O LEU A 480 16.821 -4.682 0.942 1.00 62.02 O ATOM 1343 CB LEU A 480 17.173 -6.917 -1.374 1.00 62.02 C ATOM 1344 CG LEU A 480 17.011 -8.510 -1.365 1.00 71.41 C ATOM 1345 CD1 LEU A 480 18.076 -9.101 -2.279 1.00 43.24 C ATOM 1346 CD2 LEU A 480 17.253 -9.105 0.012 1.00 70.14 C ATOM 0 H LEU A 480 17.188 -4.435 -1.946 1.00 22.10 H new ATOM 0 HA LEU A 480 15.078 -6.426 -1.159 1.00 4.22 H new ATOM 0 HB2 LEU A 480 17.443 -6.641 -2.393 1.00 62.02 H new ATOM 0 HB3 LEU A 480 18.034 -6.692 -0.744 1.00 62.02 H new ATOM 0 HG LEU A 480 15.994 -8.738 -1.683 1.00 71.41 H new ATOM 0 HD11 LEU A 480 17.985 -10.187 -2.289 1.00 43.24 H new ATOM 0 HD12 LEU A 480 17.942 -8.717 -3.290 1.00 43.24 H new ATOM 0 HD13 LEU A 480 19.064 -8.823 -1.913 1.00 43.24 H new ATOM 0 HD21 LEU A 480 17.132 -10.187 -0.033 1.00 70.14 H new ATOM 0 HD22 LEU A 480 18.265 -8.867 0.339 1.00 70.14 H new ATOM 0 HD23 LEU A 480 16.536 -8.689 0.719 1.00 70.14 H new ATOM 1358 N LYS A 481 15.113 -6.131 1.472 1.00 23.34 N ATOM 1359 CA LYS A 481 14.806 -5.582 2.849 1.00 71.00 C ATOM 1360 C LYS A 481 16.071 -5.375 3.687 1.00 23.54 C ATOM 1361 O LYS A 481 16.700 -6.306 4.181 1.00 35.23 O ATOM 1362 CB LYS A 481 13.689 -6.499 3.551 1.00 24.34 C ATOM 1363 CG LYS A 481 13.602 -6.734 5.149 1.00 2.33 C ATOM 1364 CD LYS A 481 13.730 -5.480 6.075 1.00 41.10 C ATOM 1365 CE LYS A 481 13.055 -5.687 7.450 1.00 61.21 C ATOM 1366 NZ LYS A 481 13.489 -6.934 8.146 1.00 62.35 N ATOM 0 H LYS A 481 14.590 -6.977 1.246 1.00 23.34 H new ATOM 0 HA LYS A 481 14.387 -4.580 2.755 1.00 71.00 H new ATOM 0 HB2 LYS A 481 12.724 -6.093 3.248 1.00 24.34 H new ATOM 0 HB3 LYS A 481 13.775 -7.487 3.100 1.00 24.34 H new ATOM 0 HG2 LYS A 481 12.649 -7.216 5.366 1.00 2.33 H new ATOM 0 HG3 LYS A 481 14.386 -7.438 5.428 1.00 2.33 H new ATOM 0 HD2 LYS A 481 14.785 -5.248 6.223 1.00 41.10 H new ATOM 0 HD3 LYS A 481 13.281 -4.619 5.579 1.00 41.10 H new ATOM 0 HE2 LYS A 481 13.275 -4.830 8.086 1.00 61.21 H new ATOM 0 HE3 LYS A 481 11.974 -5.714 7.314 1.00 61.21 H new ATOM 0 HZ1 LYS A 481 13.064 -6.968 9.095 1.00 62.35 H new ATOM 0 HZ2 LYS A 481 13.180 -7.763 7.599 1.00 62.35 H new ATOM 0 HZ3 LYS A 481 14.526 -6.942 8.230 1.00 62.35 H new ATOM 1380 N ARG A 482 16.419 -4.091 3.744 1.00 42.44 N ATOM 1381 CA ARG A 482 17.522 -3.578 4.509 1.00 23.51 C ATOM 1382 C ARG A 482 16.965 -2.899 5.774 1.00 42.51 C ATOM 1383 O ARG A 482 16.043 -2.095 5.635 1.00 54.11 O ATOM 1384 CB ARG A 482 18.364 -2.605 3.575 1.00 42.51 C ATOM 1385 CG ARG A 482 17.788 -1.186 3.224 1.00 12.12 C ATOM 1386 CD ARG A 482 16.536 -1.161 2.321 1.00 62.43 C ATOM 1387 NE ARG A 482 15.961 0.190 2.209 1.00 51.35 N ATOM 1388 CZ ARG A 482 14.712 0.453 1.803 1.00 13.05 C ATOM 1389 NH1 ARG A 482 13.882 -0.523 1.433 1.00 21.45 N ATOM 1390 NH2 ARG A 482 14.275 1.713 1.773 1.00 73.54 N ATOM 0 H ARG A 482 15.914 -3.365 3.236 1.00 42.44 H new ATOM 0 HA ARG A 482 18.199 -4.363 4.846 1.00 23.51 H new ATOM 0 HB2 ARG A 482 19.335 -2.457 4.048 1.00 42.51 H new ATOM 0 HB3 ARG A 482 18.543 -3.127 2.635 1.00 42.51 H new ATOM 0 HG2 ARG A 482 17.548 -0.674 4.156 1.00 12.12 H new ATOM 0 HG3 ARG A 482 18.573 -0.609 2.736 1.00 12.12 H new ATOM 0 HD2 ARG A 482 16.798 -1.526 1.328 1.00 62.43 H new ATOM 0 HD3 ARG A 482 15.786 -1.842 2.723 1.00 62.43 H new ATOM 0 HE ARG A 482 16.555 0.981 2.458 1.00 51.35 H new ATOM 0 HH11 ARG A 482 14.194 -1.494 1.456 1.00 21.45 H new ATOM 0 HH12 ARG A 482 12.935 -0.299 1.127 1.00 21.45 H new ATOM 0 HH21 ARG A 482 14.892 2.474 2.059 1.00 73.54 H new ATOM 0 HH22 ARG A 482 13.324 1.916 1.464 1.00 73.54 H new ATOM 1404 N SER A 483 17.408 -3.380 6.977 1.00 43.03 N ATOM 1405 CA SER A 483 17.247 -2.712 8.305 1.00 22.30 C ATOM 1406 C SER A 483 16.053 -1.726 8.438 1.00 63.11 C ATOM 1407 O SER A 483 16.150 -0.568 7.999 1.00 53.23 O ATOM 1408 CB SER A 483 18.594 -2.021 8.682 1.00 24.40 C ATOM 1409 OG SER A 483 19.617 -2.985 8.858 1.00 5.02 O ATOM 0 H SER A 483 17.901 -4.270 7.049 1.00 43.03 H new ATOM 0 HA SER A 483 16.992 -3.504 9.009 1.00 22.30 H new ATOM 0 HB2 SER A 483 18.880 -1.318 7.899 1.00 24.40 H new ATOM 0 HB3 SER A 483 18.469 -1.444 9.598 1.00 24.40 H new ATOM 0 HG SER A 483 20.455 -2.534 9.092 1.00 5.02 H new