USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 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 521 GLN :FLIP amide:sc= -0.527 F(o=-11,f=-7) USER MOD Set 1.2: A 551 GLN : amide:sc= -6.46! C(o=-7!,f=-11!) USER MOD Single : A 508 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.019) USER MOD Single : A 514 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 516 HIS : no HD1:sc= -0.539 K(o=-0.54,f=-1.4) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 135:sc= -0.38! USER MOD Single : A 520 THR OG1 : rot 71:sc= 1.14 USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-7.4!) USER MOD Single : A 550 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 560 GLN :FLIP amide:sc= -1.62 F(o=-2.3!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -16.517 7.289 -3.296 1.00 0.00 N ATOM 2 CA ALA A 507 -16.257 6.249 -4.326 1.00 0.00 C ATOM 3 C ALA A 507 -16.419 4.850 -3.747 1.00 0.00 C ATOM 4 O ALA A 507 -16.915 4.680 -2.633 1.00 0.00 O ATOM 5 CB ALA A 507 -14.859 6.409 -4.902 1.00 0.00 C ATOM 0 HA ALA A 507 -16.989 6.380 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -14.685 5.640 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -14.765 7.393 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -14.123 6.309 -4.104 1.00 0.00 H new ATOM 13 N GLN A 508 -15.995 3.852 -4.512 1.00 0.00 N ATOM 14 CA GLN A 508 -16.088 2.465 -4.080 1.00 0.00 C ATOM 15 C GLN A 508 -14.743 1.753 -4.223 1.00 0.00 C ATOM 16 O GLN A 508 -14.412 1.249 -5.296 1.00 0.00 O ATOM 17 CB GLN A 508 -17.159 1.727 -4.886 1.00 0.00 C ATOM 18 CG GLN A 508 -18.010 0.788 -4.049 1.00 0.00 C ATOM 19 CD GLN A 508 -19.159 0.186 -4.834 1.00 0.00 C ATOM 20 OE1 GLN A 508 -19.679 0.800 -5.766 1.00 0.00 O ATOM 21 NE2 GLN A 508 -19.563 -1.023 -4.460 1.00 0.00 N ATOM 0 H GLN A 508 -15.583 3.979 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 508 -16.368 2.460 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -17.807 2.459 -5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -16.676 1.156 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -17.383 -0.013 -3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -18.406 1.331 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -19.104 -1.496 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -20.333 -1.478 -4.951 1.00 0.00 H new ATOM 30 N PRO A 509 -13.949 1.700 -3.141 1.00 0.00 N ATOM 31 CA PRO A 509 -12.640 1.043 -3.156 1.00 0.00 C ATOM 32 C PRO A 509 -12.752 -0.478 -3.106 1.00 0.00 C ATOM 33 O PRO A 509 -11.803 -1.184 -3.426 1.00 0.00 O ATOM 34 CB PRO A 509 -11.973 1.569 -1.888 1.00 0.00 C ATOM 35 CG PRO A 509 -13.103 1.844 -0.957 1.00 0.00 C ATOM 36 CD PRO A 509 -14.263 2.272 -1.817 1.00 0.00 C ATOM 0 HA PRO A 509 -12.086 1.256 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.283 0.836 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -11.396 2.472 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.355 0.956 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.838 2.625 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -15.209 1.892 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.350 3.358 -1.861 1.00 0.00 H new ATOM 44 N LYS A 510 -13.922 -0.969 -2.696 1.00 0.00 N ATOM 45 CA LYS A 510 -14.190 -2.406 -2.587 1.00 0.00 C ATOM 46 C LYS A 510 -13.792 -2.943 -1.212 1.00 0.00 C ATOM 47 O LYS A 510 -14.181 -4.046 -0.829 1.00 0.00 O ATOM 48 CB LYS A 510 -13.484 -3.192 -3.710 1.00 0.00 C ATOM 49 CG LYS A 510 -12.200 -3.896 -3.283 1.00 0.00 C ATOM 50 CD LYS A 510 -11.118 -3.791 -4.346 1.00 0.00 C ATOM 51 CE LYS A 510 -9.975 -2.896 -3.891 1.00 0.00 C ATOM 52 NZ LYS A 510 -8.658 -3.586 -3.977 1.00 0.00 N ATOM 0 H LYS A 510 -14.712 -0.382 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 510 -15.265 -2.548 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -14.176 -3.936 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -13.253 -2.506 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -11.838 -3.459 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -12.411 -4.946 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.734 -4.785 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.548 -3.395 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -9.953 -1.995 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -10.151 -2.577 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.907 -2.941 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.669 -4.432 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.477 -3.868 -4.962 1.00 0.00 H new ATOM 66 N CYS A 511 -13.013 -2.157 -0.478 1.00 0.00 N ATOM 67 CA CYS A 511 -12.558 -2.545 0.853 1.00 0.00 C ATOM 68 C CYS A 511 -12.025 -3.974 0.862 1.00 0.00 C ATOM 69 O CYS A 511 -12.729 -4.910 1.242 1.00 0.00 O ATOM 70 CB CYS A 511 -13.694 -2.395 1.867 1.00 0.00 C ATOM 71 SG CYS A 511 -13.141 -1.952 3.548 1.00 0.00 S ATOM 0 H CYS A 511 -12.681 -1.242 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.741 -1.881 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.386 -1.631 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.250 -3.331 1.914 1.00 0.00 H new ATOM 76 N ASN A 512 -10.774 -4.129 0.443 1.00 0.00 N ATOM 77 CA ASN A 512 -10.134 -5.437 0.404 1.00 0.00 C ATOM 78 C ASN A 512 -9.051 -5.534 1.477 1.00 0.00 C ATOM 79 O ASN A 512 -7.861 -5.406 1.187 1.00 0.00 O ATOM 80 CB ASN A 512 -9.532 -5.693 -0.980 1.00 0.00 C ATOM 81 CG ASN A 512 -9.860 -7.077 -1.505 1.00 0.00 C ATOM 82 OD1 ASN A 512 -10.528 -7.223 -2.529 1.00 0.00 O ATOM 83 ND2 ASN A 512 -9.391 -8.103 -0.804 1.00 0.00 N ATOM 0 H ASN A 512 -10.182 -3.362 0.125 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.889 -6.197 0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.904 -4.944 -1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.450 -5.573 -0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -9.580 -9.058 -1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -8.842 -7.936 0.039 1.00 0.00 H new ATOM 90 N PRO A 513 -9.455 -5.754 2.742 1.00 0.00 N ATOM 91 CA PRO A 513 -8.522 -5.858 3.871 1.00 0.00 C ATOM 92 C PRO A 513 -7.781 -7.195 3.916 1.00 0.00 C ATOM 93 O PRO A 513 -7.233 -7.572 4.952 1.00 0.00 O ATOM 94 CB PRO A 513 -9.436 -5.715 5.087 1.00 0.00 C ATOM 95 CG PRO A 513 -10.754 -6.240 4.633 1.00 0.00 C ATOM 96 CD PRO A 513 -10.859 -5.905 3.168 1.00 0.00 C ATOM 0 HA PRO A 513 -7.732 -5.109 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -9.056 -6.281 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.512 -4.675 5.405 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.820 -7.316 4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.569 -5.785 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.363 -6.695 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.427 -4.989 3.006 1.00 0.00 H new ATOM 104 N ASN A 514 -7.763 -7.907 2.794 1.00 0.00 N ATOM 105 CA ASN A 514 -7.088 -9.196 2.715 1.00 0.00 C ATOM 106 C ASN A 514 -5.685 -9.038 2.132 1.00 0.00 C ATOM 107 O ASN A 514 -4.760 -9.754 2.514 1.00 0.00 O ATOM 108 CB ASN A 514 -7.913 -10.163 1.862 1.00 0.00 C ATOM 109 CG ASN A 514 -7.195 -11.475 1.599 1.00 0.00 C ATOM 110 OD1 ASN A 514 -7.293 -12.418 2.384 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.467 -11.539 0.490 1.00 0.00 N ATOM 0 H ASN A 514 -8.209 -7.612 1.926 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.993 -9.602 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.859 -10.366 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.152 -9.688 0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -5.961 -12.394 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.414 -10.733 -0.133 1.00 0.00 H new ATOM 118 N LEU A 515 -5.536 -8.098 1.205 1.00 0.00 N ATOM 119 CA LEU A 515 -4.248 -7.848 0.570 1.00 0.00 C ATOM 120 C LEU A 515 -3.343 -7.021 1.479 1.00 0.00 C ATOM 121 O LEU A 515 -3.144 -5.827 1.256 1.00 0.00 O ATOM 122 CB LEU A 515 -4.447 -7.129 -0.765 1.00 0.00 C ATOM 123 CG LEU A 515 -5.404 -7.822 -1.737 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.658 -6.946 -2.953 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.849 -9.176 -2.158 1.00 0.00 C ATOM 0 H LEU A 515 -6.292 -7.497 0.877 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.767 -8.809 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.819 -6.124 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.477 -7.020 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.354 -7.984 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.341 -7.456 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.100 -6.002 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.715 -6.751 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.543 -9.655 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.885 -9.038 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.721 -9.806 -1.278 1.00 0.00 H new ATOM 137 N HIS A 516 -2.799 -7.667 2.506 1.00 0.00 N ATOM 138 CA HIS A 516 -1.917 -6.997 3.455 1.00 0.00 C ATOM 139 C HIS A 516 -0.497 -6.854 2.903 1.00 0.00 C ATOM 140 O HIS A 516 0.348 -6.200 3.514 1.00 0.00 O ATOM 141 CB HIS A 516 -1.882 -7.765 4.778 1.00 0.00 C ATOM 142 CG HIS A 516 -1.618 -9.229 4.614 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.271 -10.199 5.348 1.00 0.00 N ATOM 144 CD2 HIS A 516 -0.768 -9.891 3.792 1.00 0.00 C ATOM 145 CE1 HIS A 516 -1.832 -11.392 4.985 1.00 0.00 C ATOM 146 NE2 HIS A 516 -0.921 -11.232 4.043 1.00 0.00 N ATOM 0 H HIS A 516 -2.954 -8.656 2.702 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.316 -5.997 3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.112 -7.335 5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -2.834 -7.631 5.291 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -0.095 -9.446 3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -2.162 -12.337 5.390 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -0.413 -11.984 3.577 1.00 0.00 H new ATOM 155 N TYR A 517 -0.236 -7.469 1.752 1.00 0.00 N ATOM 156 CA TYR A 517 1.085 -7.403 1.138 1.00 0.00 C ATOM 157 C TYR A 517 1.304 -6.066 0.436 1.00 0.00 C ATOM 158 O TYR A 517 2.226 -5.322 0.771 1.00 0.00 O ATOM 159 CB TYR A 517 1.264 -8.549 0.141 1.00 0.00 C ATOM 160 CG TYR A 517 1.314 -9.914 0.789 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.270 -10.213 1.752 1.00 0.00 C ATOM 162 CD2 TYR A 517 0.404 -10.905 0.440 1.00 0.00 C ATOM 163 CE1 TYR A 517 2.319 -11.458 2.348 1.00 0.00 C ATOM 164 CE2 TYR A 517 0.446 -12.154 1.033 1.00 0.00 C ATOM 165 CZ TYR A 517 1.405 -12.424 1.985 1.00 0.00 C ATOM 166 OH TYR A 517 1.451 -13.666 2.576 1.00 0.00 O ATOM 0 H TYR A 517 -0.919 -8.016 1.229 1.00 0.00 H new ATOM 0 HA TYR A 517 1.826 -7.497 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.444 -8.527 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.184 -8.389 -0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 517 2.987 -9.459 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -0.348 -10.696 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 517 3.069 -11.674 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -0.269 -12.913 0.751 1.00 0.00 H new ATOM 0 HH TYR A 517 0.738 -14.229 2.210 1.00 0.00 H new ATOM 176 N TRP A 518 0.457 -5.769 -0.542 1.00 0.00 N ATOM 177 CA TRP A 518 0.565 -4.523 -1.297 1.00 0.00 C ATOM 178 C TRP A 518 -0.270 -3.407 -0.672 1.00 0.00 C ATOM 179 O TRP A 518 -0.360 -2.314 -1.228 1.00 0.00 O ATOM 180 CB TRP A 518 0.128 -4.749 -2.745 1.00 0.00 C ATOM 181 CG TRP A 518 0.862 -5.867 -3.421 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.989 -5.764 -4.184 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.518 -7.257 -3.397 1.00 0.00 C ATOM 184 NE1 TRP A 518 2.369 -7.005 -4.636 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.482 -7.938 -4.166 1.00 0.00 C ATOM 186 CE3 TRP A 518 -0.508 -7.992 -2.799 1.00 0.00 C ATOM 187 CZ2 TRP A 518 1.446 -9.317 -4.352 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -0.543 -9.362 -2.985 1.00 0.00 C ATOM 189 CH2 TRP A 518 0.429 -10.012 -3.755 1.00 0.00 C ATOM 0 H TRP A 518 -0.312 -6.372 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 518 1.609 -4.212 -1.273 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -0.941 -4.962 -2.765 1.00 0.00 H new ATOM 0 HB3 TRP A 518 0.281 -3.830 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 518 2.507 -4.841 -4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.179 -7.200 -5.225 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -1.261 -7.499 -2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.194 -9.821 -4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -1.333 -9.940 -2.529 1.00 0.00 H new ATOM 0 HH2 TRP A 518 0.375 -11.083 -3.880 1.00 0.00 H new ATOM 200 N THR A 519 -0.876 -3.683 0.481 1.00 0.00 N ATOM 201 CA THR A 519 -1.701 -2.697 1.178 1.00 0.00 C ATOM 202 C THR A 519 -2.795 -2.145 0.255 1.00 0.00 C ATOM 203 O THR A 519 -3.955 -2.540 0.362 1.00 0.00 O ATOM 204 CB THR A 519 -0.830 -1.564 1.748 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.644 -0.530 0.799 1.00 0.00 O ATOM 206 CG2 THR A 519 0.543 -2.029 2.186 1.00 0.00 C ATOM 0 H THR A 519 -0.811 -4.584 0.954 1.00 0.00 H new ATOM 0 HA THR A 519 -2.193 -3.195 2.013 1.00 0.00 H new ATOM 0 HB THR A 519 -1.377 -1.201 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.775 0.339 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.106 -1.182 2.578 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.440 -2.787 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.073 -2.453 1.333 1.00 0.00 H new ATOM 214 N THR A 520 -2.428 -1.248 -0.658 1.00 0.00 N ATOM 215 CA THR A 520 -3.386 -0.669 -1.593 1.00 0.00 C ATOM 216 C THR A 520 -2.687 0.369 -2.454 1.00 0.00 C ATOM 217 O THR A 520 -2.571 0.211 -3.669 1.00 0.00 O ATOM 218 CB THR A 520 -4.565 -0.036 -0.840 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.576 -0.997 -0.594 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.205 1.117 -1.582 1.00 0.00 C ATOM 0 H THR A 520 -1.473 -0.907 -0.769 1.00 0.00 H new ATOM 0 HA THR A 520 -3.781 -1.459 -2.232 1.00 0.00 H new ATOM 0 HB THR A 520 -4.140 0.343 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.266 -1.632 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.030 1.516 -0.992 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.465 1.900 -1.746 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.582 0.767 -2.543 1.00 0.00 H new ATOM 228 N GLN A 521 -2.187 1.413 -1.806 1.00 0.00 N ATOM 229 CA GLN A 521 -1.461 2.454 -2.503 1.00 0.00 C ATOM 230 C GLN A 521 -0.129 1.908 -2.978 1.00 0.00 C ATOM 231 O GLN A 521 0.556 2.525 -3.794 1.00 0.00 O ATOM 232 CB GLN A 521 -1.255 3.664 -1.591 1.00 0.00 C ATOM 233 CG GLN A 521 -1.731 4.967 -2.206 1.00 0.00 C ATOM 234 CD GLN A 521 -3.224 5.177 -2.044 1.00 0.00 C ATOM 235 OE1 GLN A 521 -3.698 5.121 -0.805 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -3.942 5.385 -3.022 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.273 1.557 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.040 2.779 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.785 3.498 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.196 3.751 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.199 5.798 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -1.479 4.977 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -3.534 5.420 -3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -4.945 5.523 -2.898 1.00 0.00 H new ATOM 245 N ASP A 522 0.228 0.731 -2.470 1.00 0.00 N ATOM 246 CA ASP A 522 1.466 0.096 -2.853 1.00 0.00 C ATOM 247 C ASP A 522 1.244 -0.883 -4.005 1.00 0.00 C ATOM 248 O ASP A 522 2.198 -1.372 -4.610 1.00 0.00 O ATOM 249 CB ASP A 522 2.116 -0.614 -1.666 1.00 0.00 C ATOM 250 CG ASP A 522 2.039 0.197 -0.388 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.721 1.403 -0.466 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.299 -0.372 0.692 1.00 0.00 O ATOM 0 H ASP A 522 -0.327 0.206 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 522 2.145 0.878 -3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.628 -1.576 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 522 3.161 -0.820 -1.899 1.00 0.00 H new ATOM 257 N GLU A 523 -0.023 -1.166 -4.302 1.00 0.00 N ATOM 258 CA GLU A 523 -0.382 -2.084 -5.378 1.00 0.00 C ATOM 259 C GLU A 523 0.426 -1.805 -6.644 1.00 0.00 C ATOM 260 O GLU A 523 0.660 -2.703 -7.453 1.00 0.00 O ATOM 261 CB GLU A 523 -1.880 -1.975 -5.679 1.00 0.00 C ATOM 262 CG GLU A 523 -2.273 -0.682 -6.377 1.00 0.00 C ATOM 263 CD GLU A 523 -3.775 -0.528 -6.519 1.00 0.00 C ATOM 264 OE1 GLU A 523 -4.463 -1.556 -6.689 1.00 0.00 O ATOM 265 OE2 GLU A 523 -4.263 0.620 -6.460 1.00 0.00 O ATOM 0 H GLU A 523 -0.822 -0.769 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.149 -3.096 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.178 -2.818 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.436 -2.056 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.876 0.164 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.814 -0.653 -7.365 1.00 0.00 H new ATOM 272 N GLY A 524 0.848 -0.555 -6.810 1.00 0.00 N ATOM 273 CA GLY A 524 1.621 -0.189 -7.979 1.00 0.00 C ATOM 274 C GLY A 524 1.310 1.214 -8.455 1.00 0.00 C ATOM 275 O GLY A 524 1.172 1.452 -9.655 1.00 0.00 O ATOM 0 H GLY A 524 0.668 0.208 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.684 -0.265 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.418 -0.897 -8.783 1.00 0.00 H new ATOM 279 N ALA A 525 1.189 2.143 -7.513 1.00 0.00 N ATOM 280 CA ALA A 525 0.882 3.528 -7.852 1.00 0.00 C ATOM 281 C ALA A 525 2.126 4.407 -7.812 1.00 0.00 C ATOM 282 O ALA A 525 2.510 5.000 -8.821 1.00 0.00 O ATOM 283 CB ALA A 525 -0.186 4.075 -6.917 1.00 0.00 C ATOM 0 H ALA A 525 1.298 1.964 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 525 0.502 3.543 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.406 5.109 -7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.092 3.476 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.174 4.032 -5.889 1.00 0.00 H new ATOM 289 N ALA A 526 2.755 4.485 -6.646 1.00 0.00 N ATOM 290 CA ALA A 526 3.960 5.289 -6.482 1.00 0.00 C ATOM 291 C ALA A 526 5.029 4.483 -5.777 1.00 0.00 C ATOM 292 O ALA A 526 5.760 4.989 -4.926 1.00 0.00 O ATOM 293 CB ALA A 526 3.652 6.567 -5.717 1.00 0.00 C ATOM 0 H ALA A 526 2.451 4.002 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 526 4.331 5.570 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.564 7.153 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.911 7.150 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.259 6.316 -4.732 1.00 0.00 H new ATOM 299 N ILE A 527 5.086 3.213 -6.131 1.00 0.00 N ATOM 300 CA ILE A 527 6.031 2.290 -5.538 1.00 0.00 C ATOM 301 C ILE A 527 7.302 2.127 -6.372 1.00 0.00 C ATOM 302 O ILE A 527 8.203 1.378 -6.000 1.00 0.00 O ATOM 303 CB ILE A 527 5.360 0.926 -5.322 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.737 0.400 -6.623 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.288 1.078 -4.260 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.746 0.083 -7.706 1.00 0.00 C ATOM 0 H ILE A 527 4.479 2.794 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 527 6.335 2.711 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 527 6.113 0.206 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.163 -0.500 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.033 1.141 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.801 0.117 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.743 1.419 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.549 1.807 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.226 -0.283 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.304 0.985 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.436 -0.682 -7.348 1.00 0.00 H new ATOM 318 N GLY A 528 7.364 2.824 -7.500 1.00 0.00 N ATOM 319 CA GLY A 528 8.522 2.728 -8.369 1.00 0.00 C ATOM 320 C GLY A 528 9.835 3.093 -7.693 1.00 0.00 C ATOM 321 O GLY A 528 10.905 2.815 -8.235 1.00 0.00 O ATOM 0 H GLY A 528 6.633 3.454 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.593 1.710 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.374 3.382 -9.228 1.00 0.00 H new ATOM 325 N LEU A 529 9.773 3.725 -6.521 1.00 0.00 N ATOM 326 CA LEU A 529 10.990 4.120 -5.820 1.00 0.00 C ATOM 327 C LEU A 529 11.363 3.127 -4.723 1.00 0.00 C ATOM 328 O LEU A 529 12.541 2.920 -4.436 1.00 0.00 O ATOM 329 CB LEU A 529 10.822 5.517 -5.219 1.00 0.00 C ATOM 330 CG LEU A 529 9.576 5.702 -4.348 1.00 0.00 C ATOM 331 CD1 LEU A 529 9.895 6.564 -3.136 1.00 0.00 C ATOM 332 CD2 LEU A 529 8.446 6.319 -5.160 1.00 0.00 C ATOM 0 H LEU A 529 8.905 3.971 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 529 11.799 4.130 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.703 5.746 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 529 10.791 6.244 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 529 9.253 4.722 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 529 8.998 6.685 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.673 6.084 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 529 10.243 7.542 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 529 7.568 6.444 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 529 8.760 7.291 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.200 5.665 -5.996 1.00 0.00 H new ATOM 344 N ALA A 530 10.353 2.539 -4.094 1.00 0.00 N ATOM 345 CA ALA A 530 10.577 1.592 -3.005 1.00 0.00 C ATOM 346 C ALA A 530 10.374 0.142 -3.424 1.00 0.00 C ATOM 347 O ALA A 530 10.475 -0.763 -2.595 1.00 0.00 O ATOM 348 CB ALA A 530 9.651 1.914 -1.855 1.00 0.00 C ATOM 0 H ALA A 530 9.371 2.700 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 530 11.619 1.697 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.819 1.206 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.848 2.926 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.616 1.842 -2.190 1.00 0.00 H new ATOM 354 N TRP A 531 10.069 -0.089 -4.692 1.00 0.00 N ATOM 355 CA TRP A 531 9.835 -1.445 -5.177 1.00 0.00 C ATOM 356 C TRP A 531 11.107 -2.294 -5.181 1.00 0.00 C ATOM 357 O TRP A 531 11.245 -3.204 -5.999 1.00 0.00 O ATOM 358 CB TRP A 531 9.230 -1.397 -6.576 1.00 0.00 C ATOM 359 CG TRP A 531 8.665 -2.709 -7.027 1.00 0.00 C ATOM 360 CD1 TRP A 531 9.250 -3.606 -7.874 1.00 0.00 C ATOM 361 CD2 TRP A 531 7.402 -3.275 -6.655 1.00 0.00 C ATOM 362 NE1 TRP A 531 8.429 -4.694 -8.052 1.00 0.00 N ATOM 363 CE2 TRP A 531 7.289 -4.513 -7.314 1.00 0.00 C ATOM 364 CE3 TRP A 531 6.356 -2.853 -5.828 1.00 0.00 C ATOM 365 CZ2 TRP A 531 6.172 -5.333 -7.171 1.00 0.00 C ATOM 366 CZ3 TRP A 531 5.248 -3.669 -5.688 1.00 0.00 C ATOM 367 CH2 TRP A 531 5.164 -4.896 -6.356 1.00 0.00 C ATOM 0 H TRP A 531 9.978 0.638 -5.401 1.00 0.00 H new ATOM 0 HA TRP A 531 9.137 -1.921 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.442 -0.644 -6.597 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.995 -1.077 -7.284 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.217 -3.479 -8.337 1.00 0.00 H new ATOM 0 HE1 TRP A 531 8.635 -5.503 -8.638 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.412 -1.908 -5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 6.104 -6.280 -7.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 4.434 -3.354 -5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 531 4.285 -5.510 -6.225 1.00 0.00 H new ATOM 378 N ILE A 532 12.023 -2.009 -4.258 1.00 0.00 N ATOM 379 CA ILE A 532 13.264 -2.762 -4.151 1.00 0.00 C ATOM 380 C ILE A 532 13.890 -2.580 -2.769 1.00 0.00 C ATOM 381 O ILE A 532 14.906 -1.900 -2.621 1.00 0.00 O ATOM 382 CB ILE A 532 14.286 -2.335 -5.226 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.564 -0.832 -5.130 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.788 -2.703 -6.615 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.027 -0.501 -4.942 1.00 0.00 C ATOM 0 H ILE A 532 11.926 -1.259 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 532 13.012 -3.811 -4.305 1.00 0.00 H new ATOM 0 HB ILE A 532 15.219 -2.869 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.203 -0.345 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.996 -0.418 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.522 -2.394 -7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.642 -3.782 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.842 -2.198 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.151 0.580 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.388 -0.959 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.598 -0.885 -5.787 1.00 0.00 H new ATOM 397 N PRO A 533 13.282 -3.185 -1.732 1.00 0.00 N ATOM 398 CA PRO A 533 13.769 -3.092 -0.351 1.00 0.00 C ATOM 399 C PRO A 533 15.270 -3.339 -0.235 1.00 0.00 C ATOM 400 O PRO A 533 15.709 -4.471 -0.026 1.00 0.00 O ATOM 401 CB PRO A 533 12.987 -4.189 0.394 1.00 0.00 C ATOM 402 CG PRO A 533 12.225 -4.939 -0.653 1.00 0.00 C ATOM 403 CD PRO A 533 12.069 -4.004 -1.817 1.00 0.00 C ATOM 0 HA PRO A 533 13.616 -2.092 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.664 -4.852 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.312 -3.754 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.759 -5.842 -0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.252 -5.253 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.008 -4.541 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.165 -3.400 -1.734 1.00 0.00 H new ATOM 411 N TYR A 534 16.052 -2.273 -0.373 1.00 0.00 N ATOM 412 CA TYR A 534 17.506 -2.371 -0.283 1.00 0.00 C ATOM 413 C TYR A 534 18.000 -2.019 1.120 1.00 0.00 C ATOM 414 O TYR A 534 18.873 -2.691 1.667 1.00 0.00 O ATOM 415 CB TYR A 534 18.162 -1.447 -1.314 1.00 0.00 C ATOM 416 CG TYR A 534 18.706 -2.177 -2.521 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.876 -2.949 -3.323 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.051 -2.092 -2.859 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.369 -3.617 -4.428 1.00 0.00 C ATOM 420 CE2 TYR A 534 20.553 -2.758 -3.962 1.00 0.00 C ATOM 421 CZ TYR A 534 19.709 -3.518 -4.742 1.00 0.00 C ATOM 422 OH TYR A 534 20.205 -4.182 -5.841 1.00 0.00 O ATOM 0 H TYR A 534 15.704 -1.330 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 534 17.786 -3.403 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.431 -0.709 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.974 -0.900 -0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.827 -3.029 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.715 -1.496 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.710 -4.213 -5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 534 21.601 -2.683 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 534 21.166 -4.007 -5.923 1.00 0.00 H new ATOM 432 N PHE A 535 17.442 -0.955 1.688 1.00 0.00 N ATOM 433 CA PHE A 535 17.834 -0.502 3.021 1.00 0.00 C ATOM 434 C PHE A 535 17.640 -1.599 4.066 1.00 0.00 C ATOM 435 O PHE A 535 18.417 -1.707 5.014 1.00 0.00 O ATOM 436 CB PHE A 535 17.029 0.740 3.414 1.00 0.00 C ATOM 437 CG PHE A 535 17.885 1.885 3.879 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.450 1.876 5.144 1.00 0.00 C ATOM 439 CD2 PHE A 535 18.122 2.970 3.050 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.237 2.927 5.574 1.00 0.00 C ATOM 441 CE2 PHE A 535 18.908 4.024 3.475 1.00 0.00 C ATOM 442 CZ PHE A 535 19.466 4.003 4.738 1.00 0.00 C ATOM 0 H PHE A 535 16.717 -0.389 1.247 1.00 0.00 H new ATOM 0 HA PHE A 535 18.894 -0.252 2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.435 1.064 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.329 0.474 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.273 1.038 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 535 17.688 2.992 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 535 19.673 2.908 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 535 19.086 4.864 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 535 20.080 4.826 5.072 1.00 0.00 H new ATOM 452 N GLY A 536 16.602 -2.409 3.890 1.00 0.00 N ATOM 453 CA GLY A 536 16.334 -3.480 4.833 1.00 0.00 C ATOM 454 C GLY A 536 14.854 -3.794 4.953 1.00 0.00 C ATOM 455 O GLY A 536 14.420 -4.889 4.592 1.00 0.00 O ATOM 0 H GLY A 536 15.943 -2.344 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.868 -4.377 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.724 -3.203 5.813 1.00 0.00 H new ATOM 459 N PRO A 537 14.045 -2.844 5.456 1.00 0.00 N ATOM 460 CA PRO A 537 12.602 -3.038 5.610 1.00 0.00 C ATOM 461 C PRO A 537 11.935 -3.386 4.289 1.00 0.00 C ATOM 462 O PRO A 537 12.603 -3.755 3.323 1.00 0.00 O ATOM 463 CB PRO A 537 12.099 -1.682 6.126 1.00 0.00 C ATOM 464 CG PRO A 537 13.196 -0.719 5.828 1.00 0.00 C ATOM 465 CD PRO A 537 14.466 -1.511 5.904 1.00 0.00 C ATOM 0 HA PRO A 537 12.371 -3.865 6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.174 -1.390 5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.889 -1.721 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 537 13.070 -0.276 4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.203 0.101 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 537 15.242 -1.094 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 537 14.869 -1.533 6.917 1.00 0.00 H new ATOM 473 N ALA A 538 10.620 -3.261 4.252 1.00 0.00 N ATOM 474 CA ALA A 538 9.866 -3.557 3.042 1.00 0.00 C ATOM 475 C ALA A 538 10.095 -2.483 1.993 1.00 0.00 C ATOM 476 O ALA A 538 10.354 -2.786 0.828 1.00 0.00 O ATOM 477 CB ALA A 538 8.383 -3.688 3.348 1.00 0.00 C ATOM 0 H ALA A 538 10.051 -2.957 5.043 1.00 0.00 H new ATOM 0 HA ALA A 538 10.221 -4.509 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.840 -3.909 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.229 -4.496 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 538 8.015 -2.753 3.771 1.00 0.00 H new ATOM 483 N ALA A 539 9.997 -1.222 2.410 1.00 0.00 N ATOM 484 CA ALA A 539 10.193 -0.090 1.501 1.00 0.00 C ATOM 485 C ALA A 539 9.041 0.032 0.518 1.00 0.00 C ATOM 486 O ALA A 539 8.426 1.089 0.381 1.00 0.00 O ATOM 487 CB ALA A 539 11.486 -0.253 0.731 1.00 0.00 C ATOM 0 H ALA A 539 9.783 -0.957 3.371 1.00 0.00 H new ATOM 0 HA ALA A 539 10.236 0.815 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.619 0.595 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.322 -0.298 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.449 -1.174 0.149 1.00 0.00 H new ATOM 493 N GLU A 540 8.776 -1.069 -0.167 1.00 0.00 N ATOM 494 CA GLU A 540 7.721 -1.162 -1.167 1.00 0.00 C ATOM 495 C GLU A 540 6.474 -0.366 -0.774 1.00 0.00 C ATOM 496 O GLU A 540 5.734 0.102 -1.639 1.00 0.00 O ATOM 497 CB GLU A 540 7.372 -2.634 -1.365 1.00 0.00 C ATOM 498 CG GLU A 540 8.086 -3.280 -2.540 1.00 0.00 C ATOM 499 CD GLU A 540 7.688 -4.729 -2.739 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.575 -5.104 -2.311 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.488 -5.491 -3.321 1.00 0.00 O ATOM 0 H GLU A 540 9.296 -1.938 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 540 8.086 -0.726 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.619 -3.182 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.296 -2.726 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.865 -2.719 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.163 -3.221 -2.383 1.00 0.00 H new ATOM 508 N GLY A 541 6.247 -0.209 0.526 1.00 0.00 N ATOM 509 CA GLY A 541 5.095 0.540 0.991 1.00 0.00 C ATOM 510 C GLY A 541 5.477 1.649 1.955 1.00 0.00 C ATOM 511 O GLY A 541 4.919 2.744 1.906 1.00 0.00 O ATOM 0 H GLY A 541 6.840 -0.587 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.575 0.970 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.397 -0.139 1.481 1.00 0.00 H new ATOM 515 N ILE A 542 6.422 1.359 2.840 1.00 0.00 N ATOM 516 CA ILE A 542 6.874 2.332 3.833 1.00 0.00 C ATOM 517 C ILE A 542 7.863 3.337 3.245 1.00 0.00 C ATOM 518 O ILE A 542 8.014 4.441 3.768 1.00 0.00 O ATOM 519 CB ILE A 542 7.525 1.644 5.053 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.578 0.624 4.610 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.463 0.975 5.910 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.964 1.209 4.447 1.00 0.00 C ATOM 0 H ILE A 542 6.893 0.456 2.892 1.00 0.00 H new ATOM 0 HA ILE A 542 5.980 2.865 4.156 1.00 0.00 H new ATOM 0 HB ILE A 542 8.025 2.408 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.618 -0.184 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.267 0.182 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.936 0.494 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.753 1.724 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.937 0.226 5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.654 0.427 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 542 9.940 1.997 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.297 1.626 5.398 1.00 0.00 H new ATOM 534 N TYR A 543 8.532 2.963 2.157 1.00 0.00 N ATOM 535 CA TYR A 543 9.494 3.855 1.515 1.00 0.00 C ATOM 536 C TYR A 543 8.978 4.311 0.153 1.00 0.00 C ATOM 537 O TYR A 543 9.560 5.187 -0.485 1.00 0.00 O ATOM 538 CB TYR A 543 10.848 3.162 1.363 1.00 0.00 C ATOM 539 CG TYR A 543 11.899 4.021 0.698 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.517 5.058 1.388 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.273 3.797 -0.621 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.477 5.845 0.782 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.233 4.580 -1.234 1.00 0.00 C ATOM 544 CZ TYR A 543 13.831 5.602 -0.528 1.00 0.00 C ATOM 545 OH TYR A 543 14.787 6.384 -1.135 1.00 0.00 O ATOM 0 H TYR A 543 8.427 2.055 1.704 1.00 0.00 H new ATOM 0 HA TYR A 543 9.621 4.733 2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.206 2.863 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.716 2.250 0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.242 5.251 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.806 2.998 -1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.948 6.647 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.513 4.392 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 543 14.921 6.081 -2.057 1.00 0.00 H new ATOM 555 N ALA A 544 7.869 3.715 -0.273 1.00 0.00 N ATOM 556 CA ALA A 544 7.244 4.051 -1.540 1.00 0.00 C ATOM 557 C ALA A 544 6.027 4.923 -1.286 1.00 0.00 C ATOM 558 O ALA A 544 5.731 5.846 -2.044 1.00 0.00 O ATOM 559 CB ALA A 544 6.843 2.776 -2.259 1.00 0.00 C ATOM 0 H ALA A 544 7.382 2.988 0.251 1.00 0.00 H new ATOM 0 HA ALA A 544 7.947 4.601 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.374 3.027 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.728 2.167 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.138 2.217 -1.643 1.00 0.00 H new ATOM 565 N GLU A 545 5.329 4.614 -0.197 1.00 0.00 N ATOM 566 CA GLU A 545 4.138 5.358 0.189 1.00 0.00 C ATOM 567 C GLU A 545 4.317 6.010 1.556 1.00 0.00 C ATOM 568 O GLU A 545 3.779 7.087 1.815 1.00 0.00 O ATOM 569 CB GLU A 545 2.940 4.411 0.231 1.00 0.00 C ATOM 570 CG GLU A 545 1.667 5.055 0.764 1.00 0.00 C ATOM 571 CD GLU A 545 0.870 5.756 -0.320 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.156 5.522 -1.513 1.00 0.00 O ATOM 573 OE2 GLU A 545 -0.039 6.539 0.023 1.00 0.00 O ATOM 0 H GLU A 545 5.570 3.850 0.435 1.00 0.00 H new ATOM 0 HA GLU A 545 3.969 6.144 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.752 4.033 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.190 3.552 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.045 4.291 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.926 5.773 1.542 1.00 0.00 H new ATOM 580 N GLY A 546 5.077 5.346 2.424 1.00 0.00 N ATOM 581 CA GLY A 546 5.325 5.854 3.764 1.00 0.00 C ATOM 582 C GLY A 546 4.121 6.545 4.379 1.00 0.00 C ATOM 583 O GLY A 546 4.246 7.643 4.921 1.00 0.00 O ATOM 0 H GLY A 546 5.530 4.455 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.629 5.028 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.159 6.555 3.730 1.00 0.00 H new ATOM 587 N LEU A 547 2.949 5.914 4.302 1.00 0.00 N ATOM 588 CA LEU A 547 1.745 6.508 4.868 1.00 0.00 C ATOM 589 C LEU A 547 0.547 5.561 4.778 1.00 0.00 C ATOM 590 O LEU A 547 -0.061 5.223 5.793 1.00 0.00 O ATOM 591 CB LEU A 547 1.478 7.875 4.200 1.00 0.00 C ATOM 592 CG LEU A 547 0.222 8.010 3.321 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.733 9.038 3.910 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.613 8.402 1.903 1.00 0.00 C ATOM 0 H LEU A 547 2.811 5.005 3.860 1.00 0.00 H new ATOM 0 HA LEU A 547 1.902 6.680 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.419 8.627 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.344 8.123 3.587 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.286 7.046 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.615 9.120 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -1.033 8.725 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -0.235 10.006 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.284 8.494 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.140 9.356 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.264 7.636 1.480 1.00 0.00 H new ATOM 606 N MET A 548 0.213 5.135 3.568 1.00 0.00 N ATOM 607 CA MET A 548 -0.910 4.230 3.357 1.00 0.00 C ATOM 608 C MET A 548 -0.447 2.779 3.282 1.00 0.00 C ATOM 609 O MET A 548 -1.215 1.895 2.910 1.00 0.00 O ATOM 610 CB MET A 548 -1.669 4.602 2.082 1.00 0.00 C ATOM 611 CG MET A 548 -2.852 5.527 2.325 1.00 0.00 C ATOM 612 SD MET A 548 -2.548 7.213 1.760 1.00 0.00 S ATOM 613 CE MET A 548 -4.160 7.951 2.011 1.00 0.00 C ATOM 0 H MET A 548 0.705 5.402 2.715 1.00 0.00 H new ATOM 0 HA MET A 548 -1.579 4.331 4.211 1.00 0.00 H new ATOM 0 HB2 MET A 548 -0.981 5.082 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.024 3.690 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.729 5.130 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.083 5.542 3.390 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.133 8.997 1.706 1.00 0.00 H new ATOM 0 HE2 MET A 548 -4.901 7.419 1.414 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.429 7.887 3.065 1.00 0.00 H new ATOM 623 N HIS A 549 0.807 2.534 3.645 1.00 0.00 N ATOM 624 CA HIS A 549 1.349 1.185 3.624 1.00 0.00 C ATOM 625 C HIS A 549 0.591 0.285 4.599 1.00 0.00 C ATOM 626 O HIS A 549 0.753 -0.935 4.587 1.00 0.00 O ATOM 627 CB HIS A 549 2.841 1.208 3.973 1.00 0.00 C ATOM 628 CG HIS A 549 3.424 -0.145 4.257 1.00 0.00 C ATOM 629 ND1 HIS A 549 4.020 -0.469 5.458 1.00 0.00 N ATOM 630 CD2 HIS A 549 3.500 -1.258 3.490 1.00 0.00 C ATOM 631 CE1 HIS A 549 4.438 -1.722 5.417 1.00 0.00 C ATOM 632 NE2 HIS A 549 4.135 -2.222 4.233 1.00 0.00 N ATOM 0 H HIS A 549 1.463 3.250 3.956 1.00 0.00 H new ATOM 0 HA HIS A 549 1.229 0.781 2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.389 1.662 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.990 1.846 4.844 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.130 -1.367 2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.941 -2.247 6.215 1.00 0.00 H new ATOM 0 HE2 HIS A 549 4.340 -3.171 3.921 1.00 0.00 H new ATOM 641 N ASN A 550 -0.227 0.891 5.451 1.00 0.00 N ATOM 642 CA ASN A 550 -0.992 0.136 6.431 1.00 0.00 C ATOM 643 C ASN A 550 -2.405 -0.153 5.939 1.00 0.00 C ATOM 644 O ASN A 550 -2.935 -1.241 6.160 1.00 0.00 O ATOM 645 CB ASN A 550 -1.042 0.899 7.752 1.00 0.00 C ATOM 646 CG ASN A 550 0.187 0.659 8.606 1.00 0.00 C ATOM 647 OD1 ASN A 550 0.482 -0.474 8.985 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.913 1.729 8.914 1.00 0.00 N ATOM 0 H ASN A 550 -0.376 1.900 5.482 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.491 -0.820 6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.137 1.966 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.931 0.600 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.752 1.629 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.632 2.650 8.578 1.00 0.00 H new ATOM 655 N GLN A 551 -3.006 0.828 5.283 1.00 0.00 N ATOM 656 CA GLN A 551 -4.359 0.691 4.761 1.00 0.00 C ATOM 657 C GLN A 551 -4.431 -0.427 3.728 1.00 0.00 C ATOM 658 O GLN A 551 -4.529 -0.180 2.526 1.00 0.00 O ATOM 659 CB GLN A 551 -4.824 2.009 4.140 1.00 0.00 C ATOM 660 CG GLN A 551 -3.965 2.469 2.975 1.00 0.00 C ATOM 661 CD GLN A 551 -4.792 2.925 1.790 1.00 0.00 C ATOM 662 OE1 GLN A 551 -5.937 3.348 1.945 1.00 0.00 O ATOM 663 NE2 GLN A 551 -4.214 2.840 0.598 1.00 0.00 N ATOM 0 H GLN A 551 -2.575 1.734 5.098 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.019 0.437 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -5.853 1.897 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -4.824 2.783 4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.322 3.287 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.311 1.654 2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.262 2.483 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -4.722 3.132 -0.237 1.00 0.00 H new ATOM 672 N ASP A 552 -4.380 -1.660 4.212 1.00 0.00 N ATOM 673 CA ASP A 552 -4.436 -2.835 3.349 1.00 0.00 C ATOM 674 C ASP A 552 -5.876 -3.210 3.005 1.00 0.00 C ATOM 675 O ASP A 552 -6.159 -4.359 2.663 1.00 0.00 O ATOM 676 CB ASP A 552 -3.738 -4.018 4.019 1.00 0.00 C ATOM 677 CG ASP A 552 -4.235 -4.260 5.432 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.382 -4.733 5.584 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.480 -3.978 6.385 1.00 0.00 O ATOM 0 H ASP A 552 -4.299 -1.875 5.206 1.00 0.00 H new ATOM 0 HA ASP A 552 -3.920 -2.588 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.898 -4.916 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.663 -3.837 4.041 1.00 0.00 H new ATOM 684 N GLY A 553 -6.783 -2.245 3.110 1.00 0.00 N ATOM 685 CA GLY A 553 -8.181 -2.500 2.825 1.00 0.00 C ATOM 686 C GLY A 553 -9.065 -2.129 3.995 1.00 0.00 C ATOM 687 O GLY A 553 -10.235 -1.787 3.821 1.00 0.00 O ATOM 0 H GLY A 553 -6.573 -1.287 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.483 -1.931 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.317 -3.555 2.585 1.00 0.00 H new ATOM 691 N LEU A 554 -8.491 -2.180 5.192 1.00 0.00 N ATOM 692 CA LEU A 554 -9.211 -1.829 6.409 1.00 0.00 C ATOM 693 C LEU A 554 -9.706 -0.396 6.328 1.00 0.00 C ATOM 694 O LEU A 554 -10.889 -0.113 6.522 1.00 0.00 O ATOM 695 CB LEU A 554 -8.287 -1.966 7.616 1.00 0.00 C ATOM 696 CG LEU A 554 -7.411 -3.224 7.624 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.941 -2.855 7.505 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.657 -4.040 8.884 1.00 0.00 C ATOM 0 H LEU A 554 -7.523 -2.463 5.345 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.061 -2.503 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.639 -1.091 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.894 -1.959 8.521 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.682 -3.834 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.336 -3.762 7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.775 -2.316 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.656 -2.222 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.026 -4.929 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -7.417 -3.438 9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.704 -4.339 8.925 1.00 0.00 H new ATOM 710 N ILE A 555 -8.775 0.501 6.044 1.00 0.00 N ATOM 711 CA ILE A 555 -9.062 1.915 5.935 1.00 0.00 C ATOM 712 C ILE A 555 -9.568 2.268 4.536 1.00 0.00 C ATOM 713 O ILE A 555 -9.028 3.152 3.869 1.00 0.00 O ATOM 714 CB ILE A 555 -7.793 2.726 6.253 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.260 2.375 7.647 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.059 4.216 6.141 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.343 2.167 8.686 1.00 0.00 C ATOM 0 H ILE A 555 -7.796 0.264 5.883 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.845 2.163 6.651 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.032 2.462 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.659 1.469 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.597 3.172 7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.147 4.767 6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.381 4.453 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.841 4.500 6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.885 1.922 9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.931 3.080 8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.993 1.349 8.375 1.00 0.00 H new ATOM 729 N CYS A 556 -10.609 1.569 4.098 1.00 0.00 N ATOM 730 CA CYS A 556 -11.192 1.805 2.781 1.00 0.00 C ATOM 731 C CYS A 556 -12.020 3.089 2.760 1.00 0.00 C ATOM 732 O CYS A 556 -12.476 3.525 1.704 1.00 0.00 O ATOM 733 CB CYS A 556 -12.053 0.614 2.349 1.00 0.00 C ATOM 734 SG CYS A 556 -13.273 0.075 3.591 1.00 0.00 S ATOM 0 H CYS A 556 -11.067 0.833 4.636 1.00 0.00 H new ATOM 0 HA CYS A 556 -10.371 1.920 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.579 0.876 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.398 -0.225 2.113 1.00 0.00 H new ATOM 739 N GLY A 557 -12.211 3.696 3.931 1.00 0.00 N ATOM 740 CA GLY A 557 -12.982 4.926 4.012 1.00 0.00 C ATOM 741 C GLY A 557 -12.433 6.030 3.122 1.00 0.00 C ATOM 742 O GLY A 557 -13.098 7.042 2.902 1.00 0.00 O ATOM 0 H GLY A 557 -11.847 3.359 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.015 4.720 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.996 5.273 5.045 1.00 0.00 H new ATOM 746 N LEU A 558 -11.217 5.842 2.613 1.00 0.00 N ATOM 747 CA LEU A 558 -10.581 6.831 1.746 1.00 0.00 C ATOM 748 C LEU A 558 -11.536 7.332 0.666 1.00 0.00 C ATOM 749 O LEU A 558 -11.717 8.537 0.492 1.00 0.00 O ATOM 750 CB LEU A 558 -9.333 6.231 1.096 1.00 0.00 C ATOM 751 CG LEU A 558 -9.531 4.841 0.488 1.00 0.00 C ATOM 752 CD1 LEU A 558 -9.831 4.941 -1.002 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.305 3.973 0.732 1.00 0.00 C ATOM 0 H LEU A 558 -10.651 5.011 2.787 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.299 7.682 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -8.986 6.908 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.542 6.176 1.844 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.386 4.373 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.968 3.941 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.740 5.523 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -8.999 5.431 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.463 2.988 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.432 4.439 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.140 3.870 1.804 1.00 0.00 H new ATOM 765 N ARG A 559 -12.140 6.398 -0.061 1.00 0.00 N ATOM 766 CA ARG A 559 -13.074 6.744 -1.131 1.00 0.00 C ATOM 767 C ARG A 559 -12.448 7.750 -2.096 1.00 0.00 C ATOM 768 O ARG A 559 -11.266 8.074 -1.986 1.00 0.00 O ATOM 769 CB ARG A 559 -14.364 7.317 -0.539 1.00 0.00 C ATOM 770 CG ARG A 559 -15.360 6.252 -0.113 1.00 0.00 C ATOM 771 CD ARG A 559 -15.067 5.754 1.292 1.00 0.00 C ATOM 772 NE ARG A 559 -16.105 4.851 1.782 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.147 3.548 1.512 1.00 0.00 C ATOM 774 NH1 ARG A 559 -15.213 2.989 0.754 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.129 2.803 2.001 1.00 0.00 N ATOM 0 H ARG A 559 -12.001 5.396 0.070 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.309 5.836 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -14.115 7.936 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.834 7.969 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.370 6.659 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.324 5.417 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.106 5.240 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.979 6.605 1.967 1.00 0.00 H new ATOM 0 HE ARG A 559 -16.843 5.243 2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -14.457 3.558 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -15.251 1.990 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.851 3.228 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.163 1.805 1.795 1.00 0.00 H new ATOM 789 N GLN A 560 -13.248 8.240 -3.037 1.00 0.00 N ATOM 790 CA GLN A 560 -12.774 9.210 -4.020 1.00 0.00 C ATOM 791 C GLN A 560 -11.725 8.586 -4.937 1.00 0.00 C ATOM 792 O GLN A 560 -10.817 7.903 -4.418 1.00 0.00 O ATOM 793 CB GLN A 560 -12.188 10.446 -3.325 1.00 0.00 C ATOM 794 CG GLN A 560 -12.843 10.780 -1.990 1.00 0.00 C ATOM 795 CD GLN A 560 -14.357 10.727 -2.046 1.00 0.00 C ATOM 796 OE1 GLN A 560 -14.973 10.262 -0.965 1.00 0.00 O flip ATOM 797 NE2 GLN A 560 -14.967 11.100 -3.049 1.00 0.00 N flip ATOM 798 OXT GLN A 560 -11.822 8.785 -6.165 1.00 0.00 O ATOM 0 H GLN A 560 -14.229 7.981 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 560 -13.628 9.517 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -11.122 10.288 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -12.286 11.304 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -12.488 10.082 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -12.531 11.776 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -14.453 11.450 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -15.986 11.058 -3.071 1.00 0.00 H new TER 807 GLN A 560