USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 75:sc= 0.863 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.84 K(o=-0.97,f=-9.8!) USER MOD Set 2.1: A 23 TYR OH : rot -25:sc= 1.26 USER MOD Set 2.2: A 78 HIS : no HD1:sc= -0.0525 K(o=1.9,f=0.98) USER MOD Set 2.3: A 80 TYR OH : rot 90:sc= 0.727 USER MOD Set 3.1: A 61 GLN :FLIP amide:sc= -0.0121 F(o=-1.7,f=-0.17) USER MOD Set 3.2: A 69 MET CE :methyl 167:sc= -0.156 (180deg=-0.303) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -125:sc= 2.05 (180deg=0.98) USER MOD Set 4.2: A 73 TYR OH : rot -120:sc= 2 USER MOD Set 5.1: A 1 ALA N :NH3+ -145:sc= 2.42 (180deg=0.834) USER MOD Set 5.2: A 2 THR OG1 : rot -88:sc= 2.21 USER MOD Single : A 3 TYR OH : rot -122:sc= 1.11 USER MOD Single : A 4 ASN : amide:sc= 0.38 X(o=0.38,f=-0.1) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.18) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.844) USER MOD Single : A 18 CYS SG : rot -57:sc= -2.57 USER MOD Single : A 27 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 37 TYR OH : rot -141:sc= 1.24 USER MOD Single : A 38 SER OG : rot 86:sc= 0.0298 USER MOD Single : A 43 SER OG : rot 63:sc= 1.2 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 65:sc= -0.0687 USER MOD Single : A 53 SER OG : rot 180:sc= 0.281 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.129 K(o=-0.13,f=-5!) USER MOD Single : A 59 SER OG : rot -96:sc= 1.28 USER MOD Single : A 62 SER OG : rot -86:sc= 0.398 USER MOD Single : A 68 GLN : amide:sc= 0.374 K(o=0.37,f=-5.6!) USER MOD Single : A 76 THR OG1 : rot -45:sc= 0.675 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0553 USER MOD Single : A 83 SER OG : rot 180:sc= -0.164 USER MOD Single : A 91 LYS NZ :NH3+ -112:sc= 1.1 (180deg=0.352) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.899 -3.266 -0.880 1.00 0.00 N ATOM 2 CA ALA A 1 16.694 -4.444 -0.008 1.00 0.00 C ATOM 3 C ALA A 1 15.626 -5.363 -0.587 1.00 0.00 C ATOM 4 O ALA A 1 15.839 -6.566 -0.695 1.00 0.00 O ATOM 5 CB ALA A 1 16.413 -4.082 1.454 1.00 0.00 C ATOM 0 H1 ALA A 1 17.902 -2.993 -0.865 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.619 -3.502 -1.853 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.320 -2.474 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 1 17.639 -4.987 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.273 -4.994 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.255 -3.520 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.510 -3.474 1.511 1.00 0.00 H new ATOM 12 N THR A 2 14.563 -4.767 -1.130 1.00 0.00 N ATOM 13 CA THR A 2 14.025 -5.263 -2.396 1.00 0.00 C ATOM 14 C THR A 2 13.245 -6.562 -2.206 1.00 0.00 C ATOM 15 O THR A 2 13.686 -7.654 -2.576 1.00 0.00 O ATOM 16 CB THR A 2 15.180 -5.330 -3.411 1.00 0.00 C ATOM 17 OG1 THR A 2 15.956 -4.144 -3.239 1.00 0.00 O ATOM 18 CG2 THR A 2 14.660 -5.459 -4.847 1.00 0.00 C ATOM 0 H THR A 2 14.072 -3.968 -0.729 1.00 0.00 H new ATOM 0 HA THR A 2 13.278 -4.581 -2.802 1.00 0.00 H new ATOM 0 HB THR A 2 15.792 -6.215 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.590 -3.429 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.503 -5.504 -5.537 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.067 -6.369 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 2 14.039 -4.596 -5.088 1.00 0.00 H new ATOM 26 N TYR A 3 12.054 -6.425 -1.626 1.00 0.00 N ATOM 27 CA TYR A 3 11.335 -7.494 -0.963 1.00 0.00 C ATOM 28 C TYR A 3 10.142 -7.962 -1.785 1.00 0.00 C ATOM 29 O TYR A 3 9.657 -7.247 -2.658 1.00 0.00 O ATOM 30 CB TYR A 3 10.867 -6.991 0.400 1.00 0.00 C ATOM 31 CG TYR A 3 11.993 -6.555 1.313 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.868 -7.504 1.872 1.00 0.00 C ATOM 33 CD2 TYR A 3 12.118 -5.199 1.665 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.792 -7.114 2.858 1.00 0.00 C ATOM 35 CE2 TYR A 3 13.006 -4.823 2.682 1.00 0.00 C ATOM 36 CZ TYR A 3 13.802 -5.787 3.318 1.00 0.00 C ATOM 37 OH TYR A 3 14.391 -5.490 4.508 1.00 0.00 O ATOM 0 H TYR A 3 11.553 -5.537 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 3 12.002 -8.348 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.186 -6.152 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.298 -7.780 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.830 -8.532 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.532 -4.450 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.491 -7.832 3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.078 -3.787 2.977 1.00 0.00 H new ATOM 0 HH TYR A 3 13.734 -5.071 5.102 1.00 0.00 H new ATOM 47 N ASN A 4 9.697 -9.187 -1.497 1.00 0.00 N ATOM 48 CA ASN A 4 8.526 -9.836 -2.036 1.00 0.00 C ATOM 49 C ASN A 4 7.297 -9.135 -1.472 1.00 0.00 C ATOM 50 O ASN A 4 6.941 -9.351 -0.313 1.00 0.00 O ATOM 51 CB ASN A 4 8.585 -11.302 -1.581 1.00 0.00 C ATOM 52 CG ASN A 4 7.348 -12.128 -1.914 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.104 -13.151 -1.285 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.592 -11.717 -2.923 1.00 0.00 N ATOM 0 H ASN A 4 10.189 -9.784 -0.832 1.00 0.00 H new ATOM 0 HA ASN A 4 8.481 -9.790 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.454 -11.775 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.741 -11.326 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.773 -12.259 -3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.829 -10.859 -3.422 1.00 0.00 H new ATOM 61 N VAL A 5 6.668 -8.290 -2.288 1.00 0.00 N ATOM 62 CA VAL A 5 5.431 -7.631 -1.916 1.00 0.00 C ATOM 63 C VAL A 5 4.280 -8.223 -2.715 1.00 0.00 C ATOM 64 O VAL A 5 4.306 -8.174 -3.943 1.00 0.00 O ATOM 65 CB VAL A 5 5.516 -6.117 -2.108 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.262 -5.449 -1.519 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.768 -5.591 -1.403 1.00 0.00 C ATOM 0 H VAL A 5 7.005 -8.048 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 5 5.253 -7.803 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 5 5.574 -5.884 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.326 -4.370 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.375 -5.828 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.195 -5.675 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.834 -4.511 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.711 -5.822 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.652 -6.064 -1.830 1.00 0.00 H new ATOM 77 N LYS A 6 3.263 -8.754 -2.031 1.00 0.00 N ATOM 78 CA LYS A 6 2.012 -9.112 -2.669 1.00 0.00 C ATOM 79 C LYS A 6 1.017 -7.967 -2.580 1.00 0.00 C ATOM 80 O LYS A 6 0.761 -7.457 -1.487 1.00 0.00 O ATOM 81 CB LYS A 6 1.437 -10.361 -2.023 1.00 0.00 C ATOM 82 CG LYS A 6 0.096 -10.722 -2.687 1.00 0.00 C ATOM 83 CD LYS A 6 -0.509 -12.006 -2.116 1.00 0.00 C ATOM 84 CE LYS A 6 0.524 -13.120 -2.269 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.070 -14.439 -2.534 1.00 0.00 N ATOM 0 H LYS A 6 3.291 -8.943 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 6 2.206 -9.315 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.138 -11.189 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.292 -10.195 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.607 -9.900 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.245 -10.839 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.771 -11.870 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.428 -12.262 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.203 -12.866 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.123 -13.176 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.686 -15.145 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.683 -14.710 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.633 -14.397 -3.407 1.00 0.00 H new ATOM 99 N LEU A 7 0.399 -7.652 -3.723 1.00 0.00 N ATOM 100 CA LEU A 7 -0.767 -6.798 -3.802 1.00 0.00 C ATOM 101 C LEU A 7 -1.960 -7.669 -4.137 1.00 0.00 C ATOM 102 O LEU A 7 -2.087 -8.089 -5.278 1.00 0.00 O ATOM 103 CB LEU A 7 -0.518 -5.716 -4.860 1.00 0.00 C ATOM 104 CG LEU A 7 0.748 -4.894 -4.588 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.946 -3.833 -5.666 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.740 -4.238 -3.211 1.00 0.00 C ATOM 0 H LEU A 7 0.710 -7.996 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.966 -6.291 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.436 -6.186 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.378 -5.047 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 7 1.582 -5.596 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.850 -3.262 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.043 -4.316 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.087 -3.162 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.660 -3.670 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.116 -3.568 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.670 -5.007 -2.442 1.00 0.00 H new ATOM 118 N ILE A 8 -2.828 -7.955 -3.163 1.00 0.00 N ATOM 119 CA ILE A 8 -4.106 -8.589 -3.424 1.00 0.00 C ATOM 120 C ILE A 8 -4.981 -7.514 -4.060 1.00 0.00 C ATOM 121 O ILE A 8 -5.547 -6.650 -3.386 1.00 0.00 O ATOM 122 CB ILE A 8 -4.663 -9.218 -2.137 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.765 -10.376 -1.674 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.106 -9.708 -2.322 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.851 -10.611 -0.167 1.00 0.00 C ATOM 0 H ILE A 8 -2.658 -7.751 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.043 -9.431 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.671 -8.443 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.052 -11.287 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.732 -10.163 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.464 -10.146 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.743 -8.867 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.137 -10.459 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.199 -11.439 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.537 -9.710 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.879 -10.852 0.106 1.00 0.00 H new ATOM 137 N THR A 9 -5.001 -7.516 -5.387 1.00 0.00 N ATOM 138 CA THR A 9 -5.826 -6.660 -6.201 1.00 0.00 C ATOM 139 C THR A 9 -7.108 -7.413 -6.562 1.00 0.00 C ATOM 140 O THR A 9 -7.059 -8.642 -6.664 1.00 0.00 O ATOM 141 CB THR A 9 -5.054 -6.340 -7.474 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.584 -7.548 -8.049 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.775 -5.570 -7.175 1.00 0.00 C ATOM 0 H THR A 9 -4.416 -8.143 -5.939 1.00 0.00 H new ATOM 0 HA THR A 9 -6.079 -5.742 -5.670 1.00 0.00 H new ATOM 0 HB THR A 9 -5.731 -5.773 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.088 -7.348 -8.870 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.251 -5.359 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.023 -4.632 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.135 -6.167 -6.525 1.00 0.00 H new ATOM 151 N PRO A 10 -8.222 -6.705 -6.815 1.00 0.00 N ATOM 152 CA PRO A 10 -9.506 -7.290 -7.177 1.00 0.00 C ATOM 153 C PRO A 10 -9.391 -8.251 -8.363 1.00 0.00 C ATOM 154 O PRO A 10 -10.044 -9.290 -8.402 1.00 0.00 O ATOM 155 CB PRO A 10 -10.419 -6.113 -7.504 1.00 0.00 C ATOM 156 CG PRO A 10 -9.794 -4.936 -6.787 1.00 0.00 C ATOM 157 CD PRO A 10 -8.319 -5.260 -6.791 1.00 0.00 C ATOM 0 HA PRO A 10 -9.901 -7.892 -6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.473 -5.940 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.437 -6.293 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.000 -3.998 -7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.179 -4.834 -5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.827 -4.822 -7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.828 -4.852 -5.907 1.00 0.00 H new ATOM 165 N ASP A 11 -8.527 -7.880 -9.309 1.00 0.00 N ATOM 166 CA ASP A 11 -8.097 -8.613 -10.489 1.00 0.00 C ATOM 167 C ASP A 11 -7.761 -10.054 -10.145 1.00 0.00 C ATOM 168 O ASP A 11 -8.047 -10.979 -10.903 1.00 0.00 O ATOM 169 CB ASP A 11 -6.825 -7.922 -10.994 1.00 0.00 C ATOM 170 CG ASP A 11 -7.107 -6.483 -11.384 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.296 -5.706 -10.419 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.156 -6.206 -12.601 1.00 0.00 O ATOM 0 H ASP A 11 -8.070 -6.970 -9.258 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.892 -8.620 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.060 -7.949 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.428 -8.464 -11.852 1.00 0.00 H new ATOM 177 N GLY A 12 -7.125 -10.206 -8.987 1.00 0.00 N ATOM 178 CA GLY A 12 -6.786 -11.465 -8.384 1.00 0.00 C ATOM 179 C GLY A 12 -5.279 -11.547 -8.189 1.00 0.00 C ATOM 180 O GLY A 12 -4.632 -12.419 -8.763 1.00 0.00 O ATOM 0 H GLY A 12 -6.823 -9.409 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.293 -11.569 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.127 -12.286 -9.015 1.00 0.00 H new ATOM 184 N GLU A 13 -4.758 -10.632 -7.360 1.00 0.00 N ATOM 185 CA GLU A 13 -3.386 -10.549 -6.877 1.00 0.00 C ATOM 186 C GLU A 13 -2.368 -10.128 -7.926 1.00 0.00 C ATOM 187 O GLU A 13 -2.526 -10.353 -9.124 1.00 0.00 O ATOM 188 CB GLU A 13 -2.922 -11.862 -6.259 1.00 0.00 C ATOM 189 CG GLU A 13 -3.496 -12.129 -4.875 1.00 0.00 C ATOM 190 CD GLU A 13 -3.263 -13.572 -4.430 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.087 -13.912 -4.156 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.263 -14.311 -4.339 1.00 0.00 O ATOM 0 H GLU A 13 -5.333 -9.877 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.425 -9.763 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.200 -12.682 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.834 -11.858 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.040 -11.449 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.565 -11.918 -4.879 1.00 0.00 H new ATOM 199 N VAL A 14 -1.259 -9.597 -7.409 1.00 0.00 N ATOM 200 CA VAL A 14 -0.020 -9.428 -8.126 1.00 0.00 C ATOM 201 C VAL A 14 1.121 -9.291 -7.115 1.00 0.00 C ATOM 202 O VAL A 14 1.223 -8.298 -6.395 1.00 0.00 O ATOM 203 CB VAL A 14 -0.141 -8.274 -9.131 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.638 -6.954 -8.543 1.00 0.00 C ATOM 205 CG2 VAL A 14 1.161 -8.077 -9.901 1.00 0.00 C ATOM 0 H VAL A 14 -1.210 -9.265 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 14 0.213 -10.302 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.925 -8.585 -9.821 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.690 -6.202 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.629 -7.098 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.050 -6.620 -7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.046 -7.253 -10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.966 -7.847 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.403 -8.989 -10.446 1.00 0.00 H new ATOM 215 N GLU A 15 1.959 -10.325 -7.030 1.00 0.00 N ATOM 216 CA GLU A 15 3.259 -10.240 -6.392 1.00 0.00 C ATOM 217 C GLU A 15 4.251 -9.510 -7.281 1.00 0.00 C ATOM 218 O GLU A 15 4.230 -9.652 -8.502 1.00 0.00 O ATOM 219 CB GLU A 15 3.781 -11.632 -6.011 1.00 0.00 C ATOM 220 CG GLU A 15 3.088 -12.079 -4.728 1.00 0.00 C ATOM 221 CD GLU A 15 3.593 -13.415 -4.201 1.00 0.00 C ATOM 222 OE1 GLU A 15 4.819 -13.475 -3.970 1.00 0.00 O ATOM 223 OE2 GLU A 15 2.746 -14.314 -3.982 1.00 0.00 O ATOM 0 H GLU A 15 1.746 -11.249 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 15 3.144 -9.666 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.584 -12.342 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.861 -11.604 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.232 -11.317 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.016 -12.150 -4.909 1.00 0.00 H new ATOM 230 N PHE A 16 5.120 -8.733 -6.640 1.00 0.00 N ATOM 231 CA PHE A 16 6.187 -7.993 -7.284 1.00 0.00 C ATOM 232 C PHE A 16 7.291 -7.666 -6.280 1.00 0.00 C ATOM 233 O PHE A 16 7.090 -7.794 -5.068 1.00 0.00 O ATOM 234 CB PHE A 16 5.642 -6.785 -8.040 1.00 0.00 C ATOM 235 CG PHE A 16 5.325 -5.594 -7.182 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.361 -5.698 -6.169 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.127 -4.446 -7.273 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.242 -4.677 -5.223 1.00 0.00 C ATOM 239 CE2 PHE A 16 5.926 -3.387 -6.387 1.00 0.00 C ATOM 240 CZ PHE A 16 4.971 -3.488 -5.369 1.00 0.00 C ATOM 0 H PHE A 16 5.095 -8.601 -5.629 1.00 0.00 H new ATOM 0 HA PHE A 16 6.654 -8.616 -8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.370 -6.488 -8.794 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.738 -7.084 -8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.715 -6.562 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.898 -4.382 -8.027 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.585 -4.804 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.511 -2.484 -6.487 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.797 -2.657 -4.701 1.00 0.00 H new ATOM 250 N LYS A 17 8.480 -7.311 -6.775 1.00 0.00 N ATOM 251 CA LYS A 17 9.558 -6.837 -5.930 1.00 0.00 C ATOM 252 C LYS A 17 9.380 -5.348 -5.677 1.00 0.00 C ATOM 253 O LYS A 17 9.207 -4.581 -6.619 1.00 0.00 O ATOM 254 CB LYS A 17 10.923 -7.110 -6.581 1.00 0.00 C ATOM 255 CG LYS A 17 11.887 -7.802 -5.609 1.00 0.00 C ATOM 256 CD LYS A 17 11.323 -9.166 -5.201 1.00 0.00 C ATOM 257 CE LYS A 17 12.411 -10.220 -4.946 1.00 0.00 C ATOM 258 NZ LYS A 17 13.148 -9.977 -3.686 1.00 0.00 N ATOM 0 H LYS A 17 8.713 -7.347 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 17 9.527 -7.373 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.787 -7.734 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.359 -6.170 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.863 -7.927 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.035 -7.181 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.722 -9.048 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.655 -9.525 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.954 -11.209 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.113 -10.222 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.059 -10.477 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.317 -8.957 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.587 -10.326 -2.883 1.00 0.00 H new ATOM 272 N CYS A 18 9.467 -4.930 -4.416 1.00 0.00 N ATOM 273 CA CYS A 18 9.515 -3.513 -4.089 1.00 0.00 C ATOM 274 C CYS A 18 10.710 -3.198 -3.196 1.00 0.00 C ATOM 275 O CYS A 18 10.932 -3.885 -2.195 1.00 0.00 O ATOM 276 CB CYS A 18 8.220 -3.079 -3.439 1.00 0.00 C ATOM 277 SG CYS A 18 8.281 -1.273 -3.397 1.00 0.00 S ATOM 0 H CYS A 18 9.505 -5.552 -3.609 1.00 0.00 H new ATOM 0 HA CYS A 18 9.638 -2.951 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.359 -3.429 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.128 -3.492 -2.434 1.00 0.00 H new ATOM 0 HG CYS A 18 9.350 -0.890 -2.765 1.00 0.00 H new ATOM 283 N ASP A 19 11.499 -2.191 -3.577 1.00 0.00 N ATOM 284 CA ASP A 19 12.599 -1.688 -2.774 1.00 0.00 C ATOM 285 C ASP A 19 12.068 -0.925 -1.571 1.00 0.00 C ATOM 286 O ASP A 19 11.192 -0.084 -1.682 1.00 0.00 O ATOM 287 CB ASP A 19 13.529 -0.814 -3.616 1.00 0.00 C ATOM 288 CG ASP A 19 13.977 -1.549 -4.863 1.00 0.00 C ATOM 289 OD1 ASP A 19 13.229 -1.479 -5.861 1.00 0.00 O ATOM 290 OD2 ASP A 19 15.019 -2.232 -4.759 1.00 0.00 O ATOM 0 H ASP A 19 11.385 -1.701 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 19 13.180 -2.535 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.016 0.106 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.399 -0.527 -3.025 1.00 0.00 H new ATOM 295 N ASP A 20 12.675 -1.166 -0.422 1.00 0.00 N ATOM 296 CA ASP A 20 12.560 -0.359 0.784 1.00 0.00 C ATOM 297 C ASP A 20 12.776 1.131 0.509 1.00 0.00 C ATOM 298 O ASP A 20 12.166 1.980 1.151 1.00 0.00 O ATOM 299 CB ASP A 20 13.573 -0.878 1.817 1.00 0.00 C ATOM 300 CG ASP A 20 14.985 -1.114 1.281 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.097 -1.709 0.176 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.941 -0.811 2.018 1.00 0.00 O ATOM 0 H ASP A 20 13.292 -1.969 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 20 11.546 -0.453 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.628 -0.164 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.198 -1.814 2.232 1.00 0.00 H new ATOM 307 N ASP A 21 13.634 1.440 -0.460 1.00 0.00 N ATOM 308 CA ASP A 21 13.971 2.796 -0.872 1.00 0.00 C ATOM 309 C ASP A 21 12.883 3.424 -1.750 1.00 0.00 C ATOM 310 O ASP A 21 12.970 4.614 -2.049 1.00 0.00 O ATOM 311 CB ASP A 21 15.310 2.785 -1.637 1.00 0.00 C ATOM 312 CG ASP A 21 16.520 3.019 -0.743 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.538 4.069 -0.065 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.433 2.167 -0.792 1.00 0.00 O ATOM 0 H ASP A 21 14.129 0.728 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 21 14.055 3.402 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.422 1.827 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.285 3.553 -2.410 1.00 0.00 H new ATOM 319 N VAL A 22 11.900 2.649 -2.224 1.00 0.00 N ATOM 320 CA VAL A 22 10.975 3.082 -3.262 1.00 0.00 C ATOM 321 C VAL A 22 9.545 2.799 -2.809 1.00 0.00 C ATOM 322 O VAL A 22 9.314 1.868 -2.040 1.00 0.00 O ATOM 323 CB VAL A 22 11.371 2.387 -4.576 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.666 1.052 -4.822 1.00 0.00 C ATOM 325 CG2 VAL A 22 11.089 3.310 -5.749 1.00 0.00 C ATOM 0 H VAL A 22 11.728 1.700 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 22 11.026 4.156 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 22 12.435 2.167 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.003 0.631 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.903 0.361 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.588 1.211 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.371 2.814 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.026 3.552 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.667 4.227 -5.637 1.00 0.00 H new ATOM 335 N TYR A 23 8.563 3.609 -3.213 1.00 0.00 N ATOM 336 CA TYR A 23 7.232 3.404 -2.686 1.00 0.00 C ATOM 337 C TYR A 23 6.604 2.178 -3.345 1.00 0.00 C ATOM 338 O TYR A 23 6.896 1.866 -4.499 1.00 0.00 O ATOM 339 CB TYR A 23 6.374 4.660 -2.837 1.00 0.00 C ATOM 340 CG TYR A 23 6.920 5.893 -2.135 1.00 0.00 C ATOM 341 CD1 TYR A 23 7.061 5.901 -0.733 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.133 7.080 -2.857 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.293 7.108 -0.052 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.471 8.266 -2.179 1.00 0.00 C ATOM 345 CZ TYR A 23 7.541 8.285 -0.777 1.00 0.00 C ATOM 346 OH TYR A 23 7.784 9.463 -0.135 1.00 0.00 O ATOM 0 H TYR A 23 8.665 4.378 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 23 7.294 3.212 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.264 4.882 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.377 4.450 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.990 4.976 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.037 7.082 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.281 7.131 1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.677 9.166 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 23 7.383 9.437 0.759 1.00 0.00 H new ATOM 356 N VAL A 24 5.715 1.488 -2.626 1.00 0.00 N ATOM 357 CA VAL A 24 5.009 0.325 -3.157 1.00 0.00 C ATOM 358 C VAL A 24 4.392 0.655 -4.522 1.00 0.00 C ATOM 359 O VAL A 24 4.483 -0.163 -5.436 1.00 0.00 O ATOM 360 CB VAL A 24 4.002 -0.229 -2.129 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.451 -1.577 -2.593 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.669 -0.545 -0.785 1.00 0.00 C ATOM 0 H VAL A 24 5.467 1.720 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 24 5.718 -0.484 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 24 3.235 0.539 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.742 -1.953 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.947 -1.454 -3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.271 -2.287 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.923 -0.933 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.450 -1.291 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.109 0.364 -0.375 1.00 0.00 H new ATOM 372 N LEU A 25 3.822 1.857 -4.686 1.00 0.00 N ATOM 373 CA LEU A 25 3.224 2.265 -5.954 1.00 0.00 C ATOM 374 C LEU A 25 4.258 2.414 -7.084 1.00 0.00 C ATOM 375 O LEU A 25 3.944 2.131 -8.238 1.00 0.00 O ATOM 376 CB LEU A 25 2.236 3.440 -5.762 1.00 0.00 C ATOM 377 CG LEU A 25 2.580 4.879 -6.199 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.761 5.494 -5.445 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.737 5.057 -7.717 1.00 0.00 C ATOM 0 H LEU A 25 3.765 2.562 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 25 2.599 1.450 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.317 3.166 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.001 3.482 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 25 1.694 5.444 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.939 6.505 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.535 5.528 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.652 4.888 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.978 6.097 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.540 4.414 -8.078 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.805 4.787 -8.213 1.00 0.00 H new ATOM 391 N ASP A 26 5.496 2.817 -6.770 1.00 0.00 N ATOM 392 CA ASP A 26 6.498 3.175 -7.766 1.00 0.00 C ATOM 393 C ASP A 26 6.874 1.938 -8.580 1.00 0.00 C ATOM 394 O ASP A 26 6.590 1.844 -9.774 1.00 0.00 O ATOM 395 CB ASP A 26 7.753 3.731 -7.075 1.00 0.00 C ATOM 396 CG ASP A 26 7.593 5.084 -6.394 1.00 0.00 C ATOM 397 OD1 ASP A 26 6.842 5.926 -6.926 1.00 0.00 O ATOM 398 OD2 ASP A 26 8.251 5.256 -5.341 1.00 0.00 O ATOM 0 H ASP A 26 5.827 2.902 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 26 6.085 3.938 -8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.084 3.008 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.547 3.811 -7.817 1.00 0.00 H new ATOM 403 N GLN A 27 7.515 0.971 -7.913 1.00 0.00 N ATOM 404 CA GLN A 27 7.908 -0.277 -8.556 1.00 0.00 C ATOM 405 C GLN A 27 6.684 -0.961 -9.157 1.00 0.00 C ATOM 406 O GLN A 27 6.772 -1.538 -10.235 1.00 0.00 O ATOM 407 CB GLN A 27 8.650 -1.207 -7.585 1.00 0.00 C ATOM 408 CG GLN A 27 10.162 -0.985 -7.600 1.00 0.00 C ATOM 409 CD GLN A 27 10.810 -1.478 -8.888 1.00 0.00 C ATOM 410 OE1 GLN A 27 10.728 -2.648 -9.242 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.450 -0.570 -9.613 1.00 0.00 N ATOM 0 H GLN A 27 7.770 1.034 -6.927 1.00 0.00 H new ATOM 0 HA GLN A 27 8.605 -0.043 -9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.273 -1.047 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.436 -2.244 -7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.372 0.077 -7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.610 -1.501 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.501 0.397 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.891 -0.838 -10.493 1.00 0.00 H new ATOM 420 N ALA A 28 5.528 -0.870 -8.495 1.00 0.00 N ATOM 421 CA ALA A 28 4.297 -1.359 -9.086 1.00 0.00 C ATOM 422 C ALA A 28 4.117 -0.819 -10.501 1.00 0.00 C ATOM 423 O ALA A 28 4.044 -1.603 -11.446 1.00 0.00 O ATOM 424 CB ALA A 28 3.103 -1.015 -8.199 1.00 0.00 C ATOM 0 H ALA A 28 5.426 -0.467 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 28 4.358 -2.445 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.188 -1.390 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.232 -1.476 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.035 0.067 -8.084 1.00 0.00 H new ATOM 430 N GLU A 29 4.074 0.501 -10.668 1.00 0.00 N ATOM 431 CA GLU A 29 3.941 1.074 -11.999 1.00 0.00 C ATOM 432 C GLU A 29 5.093 0.650 -12.914 1.00 0.00 C ATOM 433 O GLU A 29 4.847 0.376 -14.086 1.00 0.00 O ATOM 434 CB GLU A 29 3.776 2.592 -11.936 1.00 0.00 C ATOM 435 CG GLU A 29 2.420 2.906 -11.297 1.00 0.00 C ATOM 436 CD GLU A 29 2.002 4.351 -11.493 1.00 0.00 C ATOM 437 OE1 GLU A 29 2.880 5.239 -11.465 1.00 0.00 O ATOM 438 OE2 GLU A 29 0.778 4.524 -11.664 1.00 0.00 O ATOM 0 H GLU A 29 4.128 1.182 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 29 3.029 0.674 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.582 3.037 -11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.832 3.021 -12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.661 2.251 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.466 2.687 -10.230 1.00 0.00 H new ATOM 445 N GLU A 30 6.320 0.530 -12.390 1.00 0.00 N ATOM 446 CA GLU A 30 7.426 -0.042 -13.158 1.00 0.00 C ATOM 447 C GLU A 30 7.069 -1.412 -13.743 1.00 0.00 C ATOM 448 O GLU A 30 7.423 -1.709 -14.882 1.00 0.00 O ATOM 449 CB GLU A 30 8.738 -0.085 -12.361 1.00 0.00 C ATOM 450 CG GLU A 30 9.231 1.309 -11.938 1.00 0.00 C ATOM 451 CD GLU A 30 10.058 1.967 -13.035 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.272 1.673 -13.071 1.00 0.00 O ATOM 453 OE2 GLU A 30 9.468 2.742 -13.818 1.00 0.00 O ATOM 0 H GLU A 30 6.568 0.820 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 30 7.597 0.632 -13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.596 -0.699 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.507 -0.569 -12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.376 1.941 -11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.830 1.224 -11.031 1.00 0.00 H new ATOM 460 N GLU A 31 6.357 -2.243 -12.981 1.00 0.00 N ATOM 461 CA GLU A 31 5.984 -3.580 -13.439 1.00 0.00 C ATOM 462 C GLU A 31 4.750 -3.501 -14.339 1.00 0.00 C ATOM 463 O GLU A 31 4.552 -4.334 -15.223 1.00 0.00 O ATOM 464 CB GLU A 31 5.732 -4.475 -12.225 1.00 0.00 C ATOM 465 CG GLU A 31 6.928 -4.394 -11.262 1.00 0.00 C ATOM 466 CD GLU A 31 7.701 -5.706 -11.096 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.723 -6.490 -12.069 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.256 -5.919 -9.994 1.00 0.00 O ATOM 0 H GLU A 31 6.027 -2.013 -12.044 1.00 0.00 H new ATOM 0 HA GLU A 31 6.795 -4.011 -14.026 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.821 -4.163 -11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.581 -5.506 -12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.614 -3.626 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.570 -4.072 -10.284 1.00 0.00 H new ATOM 475 N GLY A 32 3.917 -2.494 -14.084 1.00 0.00 N ATOM 476 CA GLY A 32 2.687 -2.197 -14.806 1.00 0.00 C ATOM 477 C GLY A 32 1.460 -2.332 -13.906 1.00 0.00 C ATOM 478 O GLY A 32 0.335 -2.387 -14.398 1.00 0.00 O ATOM 0 H GLY A 32 4.093 -1.831 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.735 -1.185 -15.207 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.591 -2.872 -15.656 1.00 0.00 H new ATOM 482 N ILE A 33 1.660 -2.396 -12.588 1.00 0.00 N ATOM 483 CA ILE A 33 0.575 -2.483 -11.626 1.00 0.00 C ATOM 484 C ILE A 33 -0.078 -1.113 -11.466 1.00 0.00 C ATOM 485 O ILE A 33 0.511 -0.189 -10.911 1.00 0.00 O ATOM 486 CB ILE A 33 1.098 -3.008 -10.288 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.752 -4.372 -10.501 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.021 -3.057 -9.238 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.415 -4.926 -9.241 1.00 0.00 C ATOM 0 H ILE A 33 2.587 -2.388 -12.162 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.178 -3.183 -11.988 1.00 0.00 H new ATOM 0 HB ILE A 33 1.853 -2.325 -9.900 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.998 -5.079 -10.848 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.499 -4.290 -11.291 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.379 -3.434 -8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.422 -2.055 -9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.816 -3.717 -9.584 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.860 -5.896 -9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.191 -4.238 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.667 -5.039 -8.456 1.00 0.00 H new ATOM 501 N ASP A 34 -1.321 -1.025 -11.926 1.00 0.00 N ATOM 502 CA ASP A 34 -2.181 0.146 -11.796 1.00 0.00 C ATOM 503 C ASP A 34 -2.880 0.108 -10.432 1.00 0.00 C ATOM 504 O ASP A 34 -3.858 -0.624 -10.266 1.00 0.00 O ATOM 505 CB ASP A 34 -3.200 0.117 -12.945 1.00 0.00 C ATOM 506 CG ASP A 34 -4.004 1.406 -13.068 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.069 2.152 -12.069 1.00 0.00 O ATOM 508 OD2 ASP A 34 -4.541 1.626 -14.174 1.00 0.00 O ATOM 0 H ASP A 34 -1.774 -1.795 -12.418 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.604 1.069 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.675 -0.067 -13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.885 -0.718 -12.794 1.00 0.00 H new ATOM 513 N ILE A 35 -2.366 0.831 -9.428 1.00 0.00 N ATOM 514 CA ILE A 35 -3.028 0.940 -8.128 1.00 0.00 C ATOM 515 C ILE A 35 -4.037 2.098 -8.152 1.00 0.00 C ATOM 516 O ILE A 35 -3.921 3.026 -8.945 1.00 0.00 O ATOM 517 CB ILE A 35 -1.986 1.022 -6.987 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.842 -0.304 -6.234 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.048 2.233 -6.039 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.570 -0.353 -5.377 1.00 0.00 C ATOM 0 H ILE A 35 -1.490 1.350 -9.495 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.605 0.039 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.065 1.218 -7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.713 -0.453 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.827 -1.126 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.257 2.152 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.914 3.151 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.017 2.255 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.514 -1.313 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.304 -0.232 -6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.596 0.451 -4.641 1.00 0.00 H new ATOM 532 N PRO A 36 -5.045 2.073 -7.275 1.00 0.00 N ATOM 533 CA PRO A 36 -6.125 3.042 -7.289 1.00 0.00 C ATOM 534 C PRO A 36 -5.661 4.385 -6.719 1.00 0.00 C ATOM 535 O PRO A 36 -5.713 4.600 -5.510 1.00 0.00 O ATOM 536 CB PRO A 36 -7.250 2.399 -6.477 1.00 0.00 C ATOM 537 CG PRO A 36 -6.549 1.393 -5.568 1.00 0.00 C ATOM 538 CD PRO A 36 -5.263 1.030 -6.299 1.00 0.00 C ATOM 0 HA PRO A 36 -6.469 3.275 -8.297 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.795 3.144 -5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.975 1.908 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.338 1.825 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.170 0.513 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.425 0.966 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.352 0.057 -6.782 1.00 0.00 H new ATOM 546 N TYR A 37 -5.206 5.287 -7.592 1.00 0.00 N ATOM 547 CA TYR A 37 -4.766 6.626 -7.213 1.00 0.00 C ATOM 548 C TYR A 37 -5.947 7.587 -7.084 1.00 0.00 C ATOM 549 O TYR A 37 -6.916 7.487 -7.835 1.00 0.00 O ATOM 550 CB TYR A 37 -3.810 7.195 -8.270 1.00 0.00 C ATOM 551 CG TYR A 37 -2.769 6.218 -8.764 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.841 5.668 -7.861 1.00 0.00 C ATOM 553 CD2 TYR A 37 -2.838 5.736 -10.084 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.033 4.593 -8.261 1.00 0.00 C ATOM 555 CE2 TYR A 37 -2.021 4.671 -10.483 1.00 0.00 C ATOM 556 CZ TYR A 37 -1.165 4.062 -9.554 1.00 0.00 C ATOM 557 OH TYR A 37 -0.427 2.984 -9.926 1.00 0.00 O ATOM 0 H TYR A 37 -5.133 5.103 -8.593 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.263 6.534 -6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.395 7.544 -9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.304 8.066 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.751 6.072 -6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.521 6.187 -10.789 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.311 4.175 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.050 4.319 -11.504 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.127 3.097 -10.852 1.00 0.00 H new ATOM 567 N SER A 38 -5.801 8.576 -6.198 1.00 0.00 N ATOM 568 CA SER A 38 -6.695 9.729 -6.092 1.00 0.00 C ATOM 569 C SER A 38 -5.911 11.044 -6.167 1.00 0.00 C ATOM 570 O SER A 38 -6.389 12.026 -6.730 1.00 0.00 O ATOM 571 CB SER A 38 -7.492 9.668 -4.781 1.00 0.00 C ATOM 572 OG SER A 38 -7.634 8.338 -4.324 1.00 0.00 O ATOM 0 H SER A 38 -5.040 8.596 -5.519 1.00 0.00 H new ATOM 0 HA SER A 38 -7.388 9.695 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.989 10.264 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.477 10.109 -4.932 1.00 0.00 H new ATOM 0 HG SER A 38 -6.850 8.090 -3.792 1.00 0.00 H new ATOM 578 N CYS A 39 -4.723 11.055 -5.555 1.00 0.00 N ATOM 579 CA CYS A 39 -3.974 12.245 -5.166 1.00 0.00 C ATOM 580 C CYS A 39 -2.459 12.006 -5.186 1.00 0.00 C ATOM 581 O CYS A 39 -1.718 12.904 -5.588 1.00 0.00 O ATOM 582 CB CYS A 39 -4.427 12.731 -3.808 1.00 0.00 C ATOM 583 SG CYS A 39 -3.232 12.567 -2.449 1.00 0.00 S ATOM 0 H CYS A 39 -4.238 10.192 -5.308 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.182 13.020 -5.904 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.702 13.782 -3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.331 12.187 -3.535 1.00 0.00 H new ATOM 588 N ARG A 40 -2.019 10.788 -4.828 1.00 0.00 N ATOM 589 CA ARG A 40 -0.666 10.342 -4.486 1.00 0.00 C ATOM 590 C ARG A 40 0.316 11.426 -4.011 1.00 0.00 C ATOM 591 O ARG A 40 0.931 12.123 -4.817 1.00 0.00 O ATOM 592 CB ARG A 40 -0.109 9.274 -5.453 1.00 0.00 C ATOM 593 CG ARG A 40 0.667 9.665 -6.725 1.00 0.00 C ATOM 594 CD ARG A 40 -0.172 10.324 -7.828 1.00 0.00 C ATOM 595 NE ARG A 40 -0.381 11.748 -7.556 1.00 0.00 N ATOM 596 CZ ARG A 40 0.519 12.735 -7.639 1.00 0.00 C ATOM 597 NH1 ARG A 40 1.686 12.537 -8.259 1.00 0.00 N ATOM 598 NH2 ARG A 40 0.228 13.912 -7.080 1.00 0.00 N ATOM 0 H ARG A 40 -2.677 10.011 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.795 9.801 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.546 8.628 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.954 8.665 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.470 10.347 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.136 8.770 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.328 10.204 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.136 9.821 -7.905 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.322 12.019 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.896 11.629 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.367 13.294 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.664 14.043 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.898 14.680 -7.130 1.00 0.00 H new ATOM 612 N ALA A 41 0.481 11.547 -2.686 1.00 0.00 N ATOM 613 CA ALA A 41 1.361 12.517 -2.039 1.00 0.00 C ATOM 614 C ALA A 41 1.620 12.168 -0.567 1.00 0.00 C ATOM 615 O ALA A 41 2.753 12.283 -0.107 1.00 0.00 O ATOM 616 CB ALA A 41 0.760 13.923 -2.144 1.00 0.00 C ATOM 0 H ALA A 41 -0.011 10.952 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 41 2.319 12.487 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.423 14.639 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.642 14.191 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.213 13.940 -1.654 1.00 0.00 H new ATOM 622 N GLY A 42 0.572 11.789 0.173 1.00 0.00 N ATOM 623 CA GLY A 42 0.621 11.516 1.603 1.00 0.00 C ATOM 624 C GLY A 42 0.035 12.687 2.392 1.00 0.00 C ATOM 625 O GLY A 42 0.725 13.282 3.214 1.00 0.00 O ATOM 0 H GLY A 42 -0.359 11.662 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.064 10.606 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.652 11.342 1.911 1.00 0.00 H new ATOM 629 N SER A 43 -1.238 13.017 2.124 1.00 0.00 N ATOM 630 CA SER A 43 -2.079 13.981 2.845 1.00 0.00 C ATOM 631 C SER A 43 -3.408 14.111 2.096 1.00 0.00 C ATOM 632 O SER A 43 -3.555 15.019 1.280 1.00 0.00 O ATOM 633 CB SER A 43 -1.418 15.363 2.992 1.00 0.00 C ATOM 634 OG SER A 43 -0.575 15.420 4.125 1.00 0.00 O ATOM 0 H SER A 43 -1.739 12.588 1.346 1.00 0.00 H new ATOM 0 HA SER A 43 -2.233 13.607 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.839 15.587 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.189 16.129 3.073 1.00 0.00 H new ATOM 0 HG SER A 43 0.155 14.775 4.022 1.00 0.00 H new ATOM 640 N CYS A 44 -4.365 13.221 2.373 1.00 0.00 N ATOM 641 CA CYS A 44 -5.674 13.187 1.723 1.00 0.00 C ATOM 642 C CYS A 44 -6.700 12.572 2.676 1.00 0.00 C ATOM 643 O CYS A 44 -6.440 12.501 3.875 1.00 0.00 O ATOM 644 CB CYS A 44 -5.580 12.483 0.390 1.00 0.00 C ATOM 645 SG CYS A 44 -5.259 10.699 0.388 1.00 0.00 S ATOM 0 H CYS A 44 -4.246 12.488 3.072 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.017 14.198 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.515 12.654 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.790 12.965 -0.187 1.00 0.00 H new ATOM 650 N SER A 45 -7.868 12.167 2.172 1.00 0.00 N ATOM 651 CA SER A 45 -8.939 11.557 2.957 1.00 0.00 C ATOM 652 C SER A 45 -9.525 10.425 2.121 1.00 0.00 C ATOM 653 O SER A 45 -10.734 10.318 1.925 1.00 0.00 O ATOM 654 CB SER A 45 -9.971 12.621 3.361 1.00 0.00 C ATOM 655 OG SER A 45 -10.780 12.172 4.433 1.00 0.00 O ATOM 0 H SER A 45 -8.099 12.257 1.183 1.00 0.00 H new ATOM 0 HA SER A 45 -8.571 11.139 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.457 13.538 3.650 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.600 12.864 2.505 1.00 0.00 H new ATOM 0 HG SER A 45 -11.426 12.870 4.670 1.00 0.00 H new ATOM 661 N SER A 46 -8.619 9.616 1.582 1.00 0.00 N ATOM 662 CA SER A 46 -8.866 8.659 0.529 1.00 0.00 C ATOM 663 C SER A 46 -7.694 7.676 0.565 1.00 0.00 C ATOM 664 O SER A 46 -6.787 7.865 1.376 1.00 0.00 O ATOM 665 CB SER A 46 -8.988 9.393 -0.826 1.00 0.00 C ATOM 666 OG SER A 46 -8.790 10.799 -0.720 1.00 0.00 O ATOM 0 H SER A 46 -7.646 9.616 1.889 1.00 0.00 H new ATOM 0 HA SER A 46 -9.803 8.119 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.258 8.981 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.975 9.202 -1.248 1.00 0.00 H new ATOM 0 HG SER A 46 -7.868 10.979 -0.440 1.00 0.00 H new ATOM 672 N CYS A 47 -7.743 6.658 -0.298 1.00 0.00 N ATOM 673 CA CYS A 47 -6.691 5.691 -0.579 1.00 0.00 C ATOM 674 C CYS A 47 -6.296 4.808 0.607 1.00 0.00 C ATOM 675 O CYS A 47 -6.066 5.260 1.727 1.00 0.00 O ATOM 676 CB CYS A 47 -5.512 6.343 -1.257 1.00 0.00 C ATOM 677 SG CYS A 47 -4.073 6.803 -0.246 1.00 0.00 S ATOM 0 H CYS A 47 -8.579 6.480 -0.855 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.124 4.983 -1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.165 5.668 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.872 7.246 -1.751 1.00 0.00 H new ATOM 682 N ALA A 48 -6.200 3.503 0.346 1.00 0.00 N ATOM 683 CA ALA A 48 -5.563 2.571 1.251 1.00 0.00 C ATOM 684 C ALA A 48 -5.489 1.188 0.636 1.00 0.00 C ATOM 685 O ALA A 48 -6.122 0.900 -0.387 1.00 0.00 O ATOM 686 CB ALA A 48 -6.263 2.523 2.615 1.00 0.00 C ATOM 0 H ALA A 48 -6.565 3.071 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.548 2.930 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.751 1.811 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.237 3.512 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.299 2.212 2.481 1.00 0.00 H new ATOM 692 N GLY A 49 -4.719 0.340 1.313 1.00 0.00 N ATOM 693 CA GLY A 49 -4.731 -1.091 1.192 1.00 0.00 C ATOM 694 C GLY A 49 -4.728 -1.712 2.584 1.00 0.00 C ATOM 695 O GLY A 49 -4.451 -1.019 3.565 1.00 0.00 O ATOM 0 H GLY A 49 -4.035 0.665 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.613 -1.414 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.861 -1.428 0.629 1.00 0.00 H new ATOM 699 N LYS A 50 -5.055 -3.004 2.662 1.00 0.00 N ATOM 700 CA LYS A 50 -5.175 -3.774 3.880 1.00 0.00 C ATOM 701 C LYS A 50 -3.891 -4.568 4.114 1.00 0.00 C ATOM 702 O LYS A 50 -3.633 -5.503 3.367 1.00 0.00 O ATOM 703 CB LYS A 50 -6.397 -4.697 3.753 1.00 0.00 C ATOM 704 CG LYS A 50 -7.159 -4.864 5.072 1.00 0.00 C ATOM 705 CD LYS A 50 -8.616 -5.208 4.749 1.00 0.00 C ATOM 706 CE LYS A 50 -9.511 -5.020 5.981 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.928 -4.839 5.584 1.00 0.00 N ATOM 0 H LYS A 50 -5.251 -3.560 1.830 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.318 -3.119 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.072 -4.295 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.071 -5.676 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.708 -5.653 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.107 -3.947 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.972 -4.574 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.682 -6.239 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.421 -5.886 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.175 -4.153 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.293 -3.955 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.995 -4.795 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.491 -5.640 5.933 1.00 0.00 H new ATOM 721 N VAL A 51 -3.077 -4.212 5.108 1.00 0.00 N ATOM 722 CA VAL A 51 -1.900 -4.981 5.492 1.00 0.00 C ATOM 723 C VAL A 51 -2.362 -6.360 5.960 1.00 0.00 C ATOM 724 O VAL A 51 -2.992 -6.482 7.008 1.00 0.00 O ATOM 725 CB VAL A 51 -1.124 -4.241 6.607 1.00 0.00 C ATOM 726 CG1 VAL A 51 0.003 -5.087 7.213 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.497 -2.940 6.089 1.00 0.00 C ATOM 0 H VAL A 51 -3.220 -3.374 5.672 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.225 -5.096 4.644 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.868 -4.030 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.511 -4.514 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.417 -5.994 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.717 -5.354 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.040 -2.447 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.197 -3.167 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.282 -2.280 5.719 1.00 0.00 H new ATOM 737 N VAL A 52 -2.045 -7.399 5.187 1.00 0.00 N ATOM 738 CA VAL A 52 -2.349 -8.777 5.551 1.00 0.00 C ATOM 739 C VAL A 52 -1.248 -9.330 6.456 1.00 0.00 C ATOM 740 O VAL A 52 -1.535 -10.047 7.411 1.00 0.00 O ATOM 741 CB VAL A 52 -2.493 -9.617 4.277 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.760 -11.099 4.574 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.622 -9.069 3.403 1.00 0.00 C ATOM 0 H VAL A 52 -1.569 -7.305 4.290 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.289 -8.817 6.101 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.541 -9.548 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.853 -11.647 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.932 -11.509 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.684 -11.195 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.712 -9.676 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.560 -9.101 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.400 -8.039 3.126 1.00 0.00 H new ATOM 753 N SER A 53 0.017 -9.042 6.140 1.00 0.00 N ATOM 754 CA SER A 53 1.150 -9.514 6.926 1.00 0.00 C ATOM 755 C SER A 53 2.337 -8.579 6.708 1.00 0.00 C ATOM 756 O SER A 53 2.169 -7.508 6.134 1.00 0.00 O ATOM 757 CB SER A 53 1.485 -10.963 6.543 1.00 0.00 C ATOM 758 OG SER A 53 2.411 -11.515 7.463 1.00 0.00 O ATOM 0 H SER A 53 0.280 -8.476 5.333 1.00 0.00 H new ATOM 0 HA SER A 53 0.901 -9.506 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.575 -11.562 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.901 -10.993 5.536 1.00 0.00 H new ATOM 0 HG SER A 53 2.614 -12.439 7.208 1.00 0.00 H new ATOM 764 N GLY A 54 3.531 -9.002 7.129 1.00 0.00 N ATOM 765 CA GLY A 54 4.748 -8.206 7.046 1.00 0.00 C ATOM 766 C GLY A 54 4.617 -6.881 7.801 1.00 0.00 C ATOM 767 O GLY A 54 3.784 -6.748 8.694 1.00 0.00 O ATOM 0 H GLY A 54 3.677 -9.923 7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.583 -8.776 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.980 -8.006 6.000 1.00 0.00 H new ATOM 771 N SER A 55 5.450 -5.900 7.442 1.00 0.00 N ATOM 772 CA SER A 55 5.326 -4.514 7.862 1.00 0.00 C ATOM 773 C SER A 55 5.802 -3.652 6.697 1.00 0.00 C ATOM 774 O SER A 55 6.622 -4.114 5.900 1.00 0.00 O ATOM 775 CB SER A 55 6.215 -4.229 9.075 1.00 0.00 C ATOM 776 OG SER A 55 6.016 -5.169 10.111 1.00 0.00 O ATOM 0 H SER A 55 6.252 -6.060 6.832 1.00 0.00 H new ATOM 0 HA SER A 55 4.293 -4.300 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.261 -4.243 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.006 -3.227 9.450 1.00 0.00 H new ATOM 0 HG SER A 55 6.603 -4.953 10.866 1.00 0.00 H new ATOM 782 N ILE A 56 5.322 -2.410 6.630 1.00 0.00 N ATOM 783 CA ILE A 56 5.843 -1.357 5.783 1.00 0.00 C ATOM 784 C ILE A 56 5.901 -0.097 6.640 1.00 0.00 C ATOM 785 O ILE A 56 5.264 -0.061 7.696 1.00 0.00 O ATOM 786 CB ILE A 56 4.952 -1.166 4.548 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.543 -0.667 4.880 1.00 0.00 C ATOM 788 CG2 ILE A 56 4.837 -2.453 3.733 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.745 -0.497 3.582 1.00 0.00 C ATOM 0 H ILE A 56 4.526 -2.106 7.191 1.00 0.00 H new ATOM 0 HA ILE A 56 6.836 -1.603 5.406 1.00 0.00 H new ATOM 0 HB ILE A 56 5.451 -0.395 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.040 -1.375 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.597 0.282 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.199 -2.279 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.827 -2.761 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.403 -3.238 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.741 -0.142 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.246 0.227 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.680 -1.455 3.067 1.00 0.00 H new ATOM 801 N ASP A 57 6.616 0.929 6.180 1.00 0.00 N ATOM 802 CA ASP A 57 6.628 2.240 6.794 1.00 0.00 C ATOM 803 C ASP A 57 5.824 3.149 5.879 1.00 0.00 C ATOM 804 O ASP A 57 6.186 3.341 4.719 1.00 0.00 O ATOM 805 CB ASP A 57 8.063 2.747 6.957 1.00 0.00 C ATOM 806 CG ASP A 57 8.055 4.158 7.524 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.684 5.077 6.760 1.00 0.00 O ATOM 808 OD2 ASP A 57 8.364 4.302 8.724 1.00 0.00 O ATOM 0 H ASP A 57 7.211 0.863 5.354 1.00 0.00 H new ATOM 0 HA ASP A 57 6.193 2.214 7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.619 2.083 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.573 2.736 5.994 1.00 0.00 H new ATOM 813 N GLN A 58 4.707 3.667 6.387 1.00 0.00 N ATOM 814 CA GLN A 58 3.966 4.742 5.767 1.00 0.00 C ATOM 815 C GLN A 58 4.099 5.990 6.645 1.00 0.00 C ATOM 816 O GLN A 58 3.102 6.580 7.048 1.00 0.00 O ATOM 817 CB GLN A 58 2.521 4.271 5.561 1.00 0.00 C ATOM 818 CG GLN A 58 1.966 3.680 6.853 1.00 0.00 C ATOM 819 CD GLN A 58 0.450 3.589 6.864 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.262 4.143 6.029 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.049 2.820 7.815 1.00 0.00 N ATOM 0 H GLN A 58 4.291 3.338 7.258 1.00 0.00 H new ATOM 0 HA GLN A 58 4.354 5.009 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.901 5.108 5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.484 3.525 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.385 2.684 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.293 4.290 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.573 2.376 8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.056 2.670 7.873 1.00 0.00 H new ATOM 830 N SER A 59 5.329 6.402 6.961 1.00 0.00 N ATOM 831 CA SER A 59 5.571 7.691 7.601 1.00 0.00 C ATOM 832 C SER A 59 4.845 8.794 6.821 1.00 0.00 C ATOM 833 O SER A 59 4.115 9.601 7.393 1.00 0.00 O ATOM 834 CB SER A 59 7.080 7.952 7.681 1.00 0.00 C ATOM 835 OG SER A 59 7.703 7.665 6.445 1.00 0.00 O ATOM 0 H SER A 59 6.173 5.858 6.782 1.00 0.00 H new ATOM 0 HA SER A 59 5.179 7.684 8.618 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.260 8.992 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.519 7.337 8.467 1.00 0.00 H new ATOM 0 HG SER A 59 8.076 6.759 6.469 1.00 0.00 H new ATOM 841 N ASP A 60 4.980 8.756 5.496 1.00 0.00 N ATOM 842 CA ASP A 60 4.365 9.692 4.559 1.00 0.00 C ATOM 843 C ASP A 60 2.889 9.328 4.317 1.00 0.00 C ATOM 844 O ASP A 60 2.421 9.330 3.179 1.00 0.00 O ATOM 845 CB ASP A 60 5.144 9.659 3.230 1.00 0.00 C ATOM 846 CG ASP A 60 6.571 10.182 3.274 1.00 0.00 C ATOM 847 OD1 ASP A 60 6.842 11.089 4.090 1.00 0.00 O ATOM 848 OD2 ASP A 60 7.361 9.690 2.434 1.00 0.00 O ATOM 0 H ASP A 60 5.543 8.045 5.029 1.00 0.00 H new ATOM 0 HA ASP A 60 4.401 10.696 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.167 8.630 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.589 10.240 2.493 1.00 0.00 H new ATOM 853 N GLN A 61 2.134 8.978 5.363 1.00 0.00 N ATOM 854 CA GLN A 61 0.753 8.533 5.191 1.00 0.00 C ATOM 855 C GLN A 61 -0.240 9.663 4.927 1.00 0.00 C ATOM 856 O GLN A 61 0.014 10.823 5.237 1.00 0.00 O ATOM 857 CB GLN A 61 0.275 7.657 6.349 1.00 0.00 C ATOM 858 CG GLN A 61 0.371 8.320 7.731 1.00 0.00 C ATOM 859 CD GLN A 61 0.240 7.277 8.833 1.00 0.00 C ATOM 860 OE1 GLN A 61 -0.672 6.328 8.658 1.00 0.00 O flip ATOM 861 NE2 GLN A 61 0.963 7.301 9.823 1.00 0.00 N flip ATOM 0 H GLN A 61 2.456 8.995 6.331 1.00 0.00 H new ATOM 0 HA GLN A 61 0.776 7.926 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.761 7.371 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.862 6.738 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.324 8.840 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.413 9.070 7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.655 8.042 9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.872 6.580 10.538 1.00 0.00 H new ATOM 870 N SER A 62 -1.403 9.292 4.378 1.00 0.00 N ATOM 871 CA SER A 62 -2.475 10.203 4.035 1.00 0.00 C ATOM 872 C SER A 62 -3.100 10.804 5.289 1.00 0.00 C ATOM 873 O SER A 62 -2.949 11.989 5.570 1.00 0.00 O ATOM 874 CB SER A 62 -3.512 9.462 3.182 1.00 0.00 C ATOM 875 OG SER A 62 -2.858 8.772 2.148 1.00 0.00 O ATOM 0 H SER A 62 -1.619 8.320 4.158 1.00 0.00 H new ATOM 0 HA SER A 62 -2.075 11.033 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.076 8.764 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.229 10.169 2.765 1.00 0.00 H new ATOM 0 HG SER A 62 -2.729 9.373 1.384 1.00 0.00 H new ATOM 881 N PHE A 63 -3.840 9.980 6.028 1.00 0.00 N ATOM 882 CA PHE A 63 -4.546 10.399 7.227 1.00 0.00 C ATOM 883 C PHE A 63 -4.891 9.210 8.119 1.00 0.00 C ATOM 884 O PHE A 63 -5.674 9.392 9.047 1.00 0.00 O ATOM 885 CB PHE A 63 -5.842 11.135 6.838 1.00 0.00 C ATOM 886 CG PHE A 63 -6.933 10.226 6.290 1.00 0.00 C ATOM 887 CD1 PHE A 63 -6.757 9.578 5.054 1.00 0.00 C ATOM 888 CD2 PHE A 63 -8.024 9.868 7.108 1.00 0.00 C ATOM 889 CE1 PHE A 63 -7.606 8.526 4.678 1.00 0.00 C ATOM 890 CE2 PHE A 63 -8.913 8.861 6.701 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.699 8.186 5.489 1.00 0.00 C ATOM 0 H PHE A 63 -3.965 8.993 5.805 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.888 11.066 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.226 11.659 7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.606 11.893 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.964 9.892 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.176 10.371 8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.418 7.979 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.761 8.606 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.377 7.404 5.180 1.00 0.00 H new ATOM 901 N LEU A 64 -4.388 7.997 7.830 1.00 0.00 N ATOM 902 CA LEU A 64 -4.943 6.826 8.471 1.00 0.00 C ATOM 903 C LEU A 64 -4.761 6.924 9.972 1.00 0.00 C ATOM 904 O LEU A 64 -3.704 7.350 10.438 1.00 0.00 O ATOM 905 CB LEU A 64 -4.316 5.519 7.987 1.00 0.00 C ATOM 906 CG LEU A 64 -4.793 5.058 6.604 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.081 5.782 5.456 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.507 3.560 6.546 1.00 0.00 C ATOM 0 H LEU A 64 -3.624 7.819 7.178 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.000 6.804 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.233 5.638 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.535 4.735 8.712 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.851 5.287 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.460 5.414 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.267 6.853 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.009 5.594 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.825 3.166 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.438 3.388 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.053 3.054 7.342 1.00 0.00 H new ATOM 920 N ASP A 65 -5.781 6.502 10.710 1.00 0.00 N ATOM 921 CA ASP A 65 -5.717 6.522 12.156 1.00 0.00 C ATOM 922 C ASP A 65 -5.081 5.230 12.659 1.00 0.00 C ATOM 923 O ASP A 65 -4.977 4.239 11.930 1.00 0.00 O ATOM 924 CB ASP A 65 -7.105 6.745 12.762 1.00 0.00 C ATOM 925 CG ASP A 65 -7.647 8.135 12.455 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.179 9.081 13.123 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.524 8.219 11.569 1.00 0.00 O ATOM 0 H ASP A 65 -6.656 6.144 10.328 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.093 7.357 12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.794 5.994 12.375 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.055 6.606 13.842 1.00 0.00 H new ATOM 932 N ASP A 66 -4.685 5.242 13.932 1.00 0.00 N ATOM 933 CA ASP A 66 -4.117 4.090 14.617 1.00 0.00 C ATOM 934 C ASP A 66 -5.087 2.925 14.501 1.00 0.00 C ATOM 935 O ASP A 66 -4.673 1.793 14.270 1.00 0.00 O ATOM 936 CB ASP A 66 -3.840 4.425 16.086 1.00 0.00 C ATOM 937 CG ASP A 66 -2.722 5.447 16.226 1.00 0.00 C ATOM 938 OD1 ASP A 66 -1.550 5.014 16.214 1.00 0.00 O ATOM 939 OD2 ASP A 66 -3.068 6.643 16.326 1.00 0.00 O ATOM 0 H ASP A 66 -4.753 6.070 14.523 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.168 3.817 14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.748 4.812 16.549 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.571 3.515 16.623 1.00 0.00 H new ATOM 944 N GLU A 67 -6.384 3.227 14.620 1.00 0.00 N ATOM 945 CA GLU A 67 -7.449 2.261 14.467 1.00 0.00 C ATOM 946 C GLU A 67 -7.288 1.533 13.142 1.00 0.00 C ATOM 947 O GLU A 67 -7.087 0.328 13.125 1.00 0.00 O ATOM 948 CB GLU A 67 -8.828 2.937 14.548 1.00 0.00 C ATOM 949 CG GLU A 67 -8.847 4.228 15.366 1.00 0.00 C ATOM 950 CD GLU A 67 -10.266 4.587 15.791 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.160 4.472 14.926 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.432 4.944 16.976 1.00 0.00 O ATOM 0 H GLU A 67 -6.717 4.168 14.829 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.387 1.541 15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.173 3.156 13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.539 2.235 14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.218 4.112 16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.423 5.042 14.777 1.00 0.00 H new ATOM 959 N GLN A 68 -7.365 2.262 12.027 1.00 0.00 N ATOM 960 CA GLN A 68 -7.203 1.703 10.701 1.00 0.00 C ATOM 961 C GLN A 68 -5.912 0.886 10.588 1.00 0.00 C ATOM 962 O GLN A 68 -5.946 -0.263 10.149 1.00 0.00 O ATOM 963 CB GLN A 68 -7.269 2.830 9.678 1.00 0.00 C ATOM 964 CG GLN A 68 -8.669 3.440 9.708 1.00 0.00 C ATOM 965 CD GLN A 68 -8.736 4.733 8.935 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.737 5.415 8.760 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.922 5.074 8.469 1.00 0.00 N ATOM 0 H GLN A 68 -7.544 3.266 12.029 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.015 1.004 10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.521 3.590 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.044 2.449 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.383 2.730 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.965 3.619 10.742 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.729 4.474 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.032 5.938 7.938 1.00 0.00 H new ATOM 976 N MET A 69 -4.769 1.454 10.980 1.00 0.00 N ATOM 977 CA MET A 69 -3.513 0.721 10.952 1.00 0.00 C ATOM 978 C MET A 69 -3.634 -0.629 11.671 1.00 0.00 C ATOM 979 O MET A 69 -3.476 -1.676 11.045 1.00 0.00 O ATOM 980 CB MET A 69 -2.393 1.585 11.517 1.00 0.00 C ATOM 981 CG MET A 69 -2.160 2.800 10.622 1.00 0.00 C ATOM 982 SD MET A 69 -0.663 3.724 11.031 1.00 0.00 S ATOM 983 CE MET A 69 -1.447 5.214 11.653 1.00 0.00 C ATOM 0 H MET A 69 -4.693 2.413 11.318 1.00 0.00 H new ATOM 0 HA MET A 69 -3.263 0.490 9.916 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.649 1.911 12.525 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.476 1.000 11.594 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.101 2.471 9.585 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.020 3.466 10.697 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.708 5.825 12.171 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.866 5.780 10.821 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.244 4.944 12.345 1.00 0.00 H new ATOM 993 N ASP A 70 -3.964 -0.600 12.964 1.00 0.00 N ATOM 994 CA ASP A 70 -4.088 -1.780 13.818 1.00 0.00 C ATOM 995 C ASP A 70 -5.088 -2.773 13.226 1.00 0.00 C ATOM 996 O ASP A 70 -4.851 -3.977 13.157 1.00 0.00 O ATOM 997 CB ASP A 70 -4.558 -1.340 15.208 1.00 0.00 C ATOM 998 CG ASP A 70 -4.576 -2.522 16.165 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.474 -2.907 16.609 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.690 -3.020 16.432 1.00 0.00 O ATOM 0 H ASP A 70 -4.158 0.271 13.459 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.118 -2.272 13.889 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.897 -0.564 15.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.555 -0.905 15.140 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.205 -2.222 12.753 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.315 -2.939 12.149 1.00 0.00 C ATOM 1007 C ALA A 71 -6.884 -3.659 10.873 1.00 0.00 C ATOM 1008 O ALA A 71 -7.545 -4.609 10.457 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.443 -1.952 11.848 1.00 0.00 C ATOM 0 H ALA A 71 -6.363 -1.215 12.785 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.665 -3.697 12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.280 -2.483 11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.771 -1.481 12.775 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.083 -1.187 11.160 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.792 -3.207 10.251 1.00 0.00 N ATOM 1016 CA GLY A 72 -5.150 -3.911 9.162 1.00 0.00 C ATOM 1017 C GLY A 72 -4.963 -3.039 7.935 1.00 0.00 C ATOM 1018 O GLY A 72 -4.961 -3.602 6.852 1.00 0.00 O ATOM 0 H GLY A 72 -5.332 -2.331 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.179 -4.278 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.747 -4.783 8.896 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.838 -1.709 8.040 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.811 -0.822 6.873 1.00 0.00 C ATOM 1024 C TYR A 73 -3.538 0.018 6.729 1.00 0.00 C ATOM 1025 O TYR A 73 -2.719 0.099 7.640 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.048 0.060 6.885 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.326 -0.740 6.773 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.687 -1.275 5.525 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.255 -0.745 7.827 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.991 -1.742 5.316 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.573 -1.166 7.602 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.957 -1.618 6.332 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.216 -2.107 6.146 1.00 0.00 O ATOM 0 H TYR A 73 -4.753 -1.221 8.932 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.809 -1.469 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.067 0.643 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.993 0.770 6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.960 -1.326 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.953 -0.424 8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.256 -2.198 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.292 -1.142 8.407 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.866 -1.378 6.228 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.357 0.631 5.552 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.129 1.316 5.162 1.00 0.00 C ATOM 1045 C VAL A 74 -2.442 2.195 3.946 1.00 0.00 C ATOM 1046 O VAL A 74 -3.293 1.798 3.156 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.078 0.221 4.880 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -0.746 -0.038 3.408 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.192 0.416 5.707 1.00 0.00 C ATOM 0 H VAL A 74 -4.079 0.662 4.832 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.732 1.975 5.934 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.579 -0.691 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.003 -0.827 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.648 -0.346 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.356 0.874 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.902 -0.378 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.637 1.382 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.056 0.383 6.768 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.814 3.365 3.765 1.00 0.00 N ATOM 1060 CA LEU A 75 -2.025 4.142 2.536 1.00 0.00 C ATOM 1061 C LEU A 75 -1.432 3.373 1.339 1.00 0.00 C ATOM 1062 O LEU A 75 -0.438 2.670 1.503 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.534 5.605 2.674 1.00 0.00 C ATOM 1064 CG LEU A 75 -0.293 5.958 1.840 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -0.133 7.456 1.580 1.00 0.00 C ATOM 1066 CD2 LEU A 75 0.977 5.373 2.451 1.00 0.00 C ATOM 0 H LEU A 75 -1.171 3.786 4.436 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.093 4.248 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.347 6.273 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.315 5.801 3.724 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.456 5.496 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.764 7.628 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.004 7.826 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.046 7.983 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.835 5.643 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.113 5.770 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.891 4.287 2.498 1.00 0.00 H new ATOM 1078 N THR A 76 -1.999 3.497 0.131 1.00 0.00 N ATOM 1079 CA THR A 76 -1.559 2.715 -1.035 1.00 0.00 C ATOM 1080 C THR A 76 -0.768 3.568 -2.038 1.00 0.00 C ATOM 1081 O THR A 76 -0.842 3.329 -3.244 1.00 0.00 O ATOM 1082 CB THR A 76 -2.759 1.981 -1.661 1.00 0.00 C ATOM 1083 OG1 THR A 76 -2.335 1.126 -2.701 1.00 0.00 O ATOM 1084 CG2 THR A 76 -3.832 2.930 -2.202 1.00 0.00 C ATOM 0 H THR A 76 -2.769 4.136 -0.066 1.00 0.00 H new ATOM 0 HA THR A 76 -0.855 1.953 -0.701 1.00 0.00 H new ATOM 0 HB THR A 76 -3.207 1.401 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.695 1.599 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.649 2.349 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.213 3.549 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.399 3.568 -2.972 1.00 0.00 H new ATOM 1092 N CYS A 77 0.022 4.507 -1.519 1.00 0.00 N ATOM 1093 CA CYS A 77 0.778 5.511 -2.255 1.00 0.00 C ATOM 1094 C CYS A 77 2.181 5.538 -1.636 1.00 0.00 C ATOM 1095 O CYS A 77 2.961 4.606 -1.837 1.00 0.00 O ATOM 1096 CB CYS A 77 0.047 6.841 -2.187 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.478 6.956 -3.168 1.00 0.00 S ATOM 0 H CYS A 77 0.157 4.589 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 77 0.873 5.284 -3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.197 7.047 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.728 7.626 -2.516 1.00 0.00 H new ATOM 1102 N HIS A 78 2.499 6.566 -0.842 1.00 0.00 N ATOM 1103 CA HIS A 78 3.820 6.770 -0.264 1.00 0.00 C ATOM 1104 C HIS A 78 4.082 5.829 0.925 1.00 0.00 C ATOM 1105 O HIS A 78 4.162 6.270 2.070 1.00 0.00 O ATOM 1106 CB HIS A 78 3.989 8.238 0.156 1.00 0.00 C ATOM 1107 CG HIS A 78 4.230 9.237 -0.946 1.00 0.00 C ATOM 1108 ND1 HIS A 78 5.045 10.339 -0.826 1.00 0.00 N ATOM 1109 CD2 HIS A 78 3.736 9.224 -2.223 1.00 0.00 C ATOM 1110 CE1 HIS A 78 5.037 10.979 -2.006 1.00 0.00 C ATOM 1111 NE2 HIS A 78 4.253 10.341 -2.891 1.00 0.00 N ATOM 0 H HIS A 78 1.829 7.290 -0.582 1.00 0.00 H new ATOM 0 HA HIS A 78 4.558 6.530 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.094 8.541 0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.822 8.297 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.068 8.485 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.587 11.885 -2.216 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.071 10.615 -3.856 1.00 0.00 H new ATOM 1119 N ALA A 79 4.215 4.526 0.665 1.00 0.00 N ATOM 1120 CA ALA A 79 4.593 3.527 1.665 1.00 0.00 C ATOM 1121 C ALA A 79 5.845 2.788 1.197 1.00 0.00 C ATOM 1122 O ALA A 79 5.929 2.455 0.020 1.00 0.00 O ATOM 1123 CB ALA A 79 3.440 2.546 1.872 1.00 0.00 C ATOM 0 H ALA A 79 4.060 4.130 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 79 4.808 4.019 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.724 1.803 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.559 3.087 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.213 2.047 0.930 1.00 0.00 H new ATOM 1129 N TYR A 80 6.796 2.530 2.098 1.00 0.00 N ATOM 1130 CA TYR A 80 8.069 1.864 1.839 1.00 0.00 C ATOM 1131 C TYR A 80 8.054 0.464 2.465 1.00 0.00 C ATOM 1132 O TYR A 80 7.809 0.342 3.667 1.00 0.00 O ATOM 1133 CB TYR A 80 9.177 2.681 2.511 1.00 0.00 C ATOM 1134 CG TYR A 80 9.475 4.021 1.868 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.923 4.069 0.537 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.418 5.205 2.628 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.289 5.293 -0.043 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.823 6.426 2.058 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.261 6.469 0.722 1.00 0.00 C ATOM 1140 OH TYR A 80 10.581 7.661 0.144 1.00 0.00 O ATOM 0 H TYR A 80 6.691 2.795 3.077 1.00 0.00 H new ATOM 0 HA TYR A 80 8.235 1.784 0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.901 2.850 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.091 2.088 2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.986 3.160 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.064 5.176 3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.592 5.330 -1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.798 7.331 2.647 1.00 0.00 H new ATOM 0 HH TYR A 80 9.773 8.071 -0.229 1.00 0.00 H new ATOM 1150 N PRO A 81 8.306 -0.596 1.684 1.00 0.00 N ATOM 1151 CA PRO A 81 8.311 -1.961 2.188 1.00 0.00 C ATOM 1152 C PRO A 81 9.562 -2.252 3.018 1.00 0.00 C ATOM 1153 O PRO A 81 10.658 -2.343 2.476 1.00 0.00 O ATOM 1154 CB PRO A 81 8.208 -2.871 0.963 1.00 0.00 C ATOM 1155 CG PRO A 81 8.499 -1.982 -0.243 1.00 0.00 C ATOM 1156 CD PRO A 81 8.453 -0.544 0.239 1.00 0.00 C ATOM 0 HA PRO A 81 7.474 -2.132 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.922 -3.692 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.216 -3.317 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.476 -2.215 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.763 -2.148 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.363 -0.013 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.620 -0.009 -0.216 1.00 0.00 H new ATOM 1164 N THR A 82 9.419 -2.441 4.331 1.00 0.00 N ATOM 1165 CA THR A 82 10.546 -2.641 5.229 1.00 0.00 C ATOM 1166 C THR A 82 11.013 -4.098 5.204 1.00 0.00 C ATOM 1167 O THR A 82 12.129 -4.408 5.632 1.00 0.00 O ATOM 1168 CB THR A 82 10.115 -2.206 6.637 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.822 -2.704 6.934 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.042 -0.678 6.722 1.00 0.00 C ATOM 0 H THR A 82 8.513 -2.459 4.798 1.00 0.00 H new ATOM 0 HA THR A 82 11.396 -2.039 4.908 1.00 0.00 H new ATOM 0 HB THR A 82 10.849 -2.598 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.561 -2.420 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.735 -0.384 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.022 -0.254 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.317 -0.308 5.998 1.00 0.00 H new ATOM 1178 N SER A 83 10.153 -5.004 4.731 1.00 0.00 N ATOM 1179 CA SER A 83 10.412 -6.426 4.623 1.00 0.00 C ATOM 1180 C SER A 83 9.500 -6.983 3.535 1.00 0.00 C ATOM 1181 O SER A 83 8.757 -6.221 2.914 1.00 0.00 O ATOM 1182 CB SER A 83 10.167 -7.106 5.977 1.00 0.00 C ATOM 1183 OG SER A 83 10.905 -6.464 7.001 1.00 0.00 O ATOM 0 H SER A 83 9.222 -4.747 4.402 1.00 0.00 H new ATOM 0 HA SER A 83 11.451 -6.618 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.104 -7.078 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.454 -8.156 5.919 1.00 0.00 H new ATOM 0 HG SER A 83 10.734 -6.911 7.856 1.00 0.00 H new ATOM 1189 N ASP A 84 9.540 -8.299 3.316 1.00 0.00 N ATOM 1190 CA ASP A 84 8.499 -9.004 2.588 1.00 0.00 C ATOM 1191 C ASP A 84 7.167 -8.740 3.279 1.00 0.00 C ATOM 1192 O ASP A 84 7.102 -8.624 4.504 1.00 0.00 O ATOM 1193 CB ASP A 84 8.816 -10.503 2.526 1.00 0.00 C ATOM 1194 CG ASP A 84 9.084 -11.085 3.910 1.00 0.00 C ATOM 1195 OD1 ASP A 84 10.042 -10.582 4.543 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.339 -12.007 4.299 1.00 0.00 O ATOM 0 H ASP A 84 10.297 -8.900 3.641 1.00 0.00 H new ATOM 0 HA ASP A 84 8.444 -8.645 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.982 -11.032 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.686 -10.664 1.890 1.00 0.00 H new ATOM 1201 N VAL A 85 6.120 -8.553 2.476 1.00 0.00 N ATOM 1202 CA VAL A 85 4.869 -8.005 2.980 1.00 0.00 C ATOM 1203 C VAL A 85 3.697 -8.311 2.051 1.00 0.00 C ATOM 1204 O VAL A 85 3.823 -8.299 0.828 1.00 0.00 O ATOM 1205 CB VAL A 85 5.045 -6.510 3.340 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.695 -5.661 2.239 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.741 -5.849 3.801 1.00 0.00 C ATOM 0 H VAL A 85 6.116 -8.773 1.480 1.00 0.00 H new ATOM 0 HA VAL A 85 4.604 -8.506 3.911 1.00 0.00 H new ATOM 0 HB VAL A 85 5.743 -6.534 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.779 -4.628 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.688 -6.052 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.081 -5.699 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.928 -4.802 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.999 -5.913 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.367 -6.361 4.687 1.00 0.00 H new ATOM 1217 N VAL A 86 2.548 -8.630 2.646 1.00 0.00 N ATOM 1218 CA VAL A 86 1.323 -8.912 1.926 1.00 0.00 C ATOM 1219 C VAL A 86 0.333 -7.822 2.296 1.00 0.00 C ATOM 1220 O VAL A 86 0.102 -7.583 3.483 1.00 0.00 O ATOM 1221 CB VAL A 86 0.792 -10.302 2.304 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.467 -10.618 1.486 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.851 -11.380 2.033 1.00 0.00 C ATOM 0 H VAL A 86 2.449 -8.699 3.659 1.00 0.00 H new ATOM 0 HA VAL A 86 1.489 -8.920 0.849 1.00 0.00 H new ATOM 0 HB VAL A 86 0.553 -10.299 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.839 -11.606 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.233 -9.871 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.224 -10.602 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.454 -12.357 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.109 -11.378 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.742 -11.171 2.624 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.243 -7.174 1.287 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.253 -6.157 1.447 1.00 0.00 C ATOM 1235 C ILE A 87 -2.319 -6.340 0.361 1.00 0.00 C ATOM 1236 O ILE A 87 -2.024 -6.870 -0.707 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.568 -4.775 1.492 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.521 -3.582 1.354 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.629 -4.613 0.554 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.675 -3.242 -0.122 1.00 0.00 C ATOM 0 H ILE A 87 -0.006 -7.354 0.311 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.790 -6.242 2.392 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.175 -4.759 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.491 -3.822 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.131 -2.723 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.041 -3.609 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.393 -5.347 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.308 -4.767 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.351 -2.394 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.701 -2.986 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.083 -4.102 -0.653 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.555 -5.911 0.622 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.636 -5.863 -0.358 1.00 0.00 C ATOM 1254 C GLU A 88 -4.832 -4.424 -0.819 1.00 0.00 C ATOM 1255 O GLU A 88 -5.044 -3.571 0.030 1.00 0.00 O ATOM 1256 CB GLU A 88 -5.952 -6.338 0.268 1.00 0.00 C ATOM 1257 CG GLU A 88 -5.890 -7.583 1.153 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.213 -7.859 1.862 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.093 -6.965 1.818 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.330 -8.954 2.445 1.00 0.00 O ATOM 0 H GLU A 88 -3.837 -5.579 1.545 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.371 -6.510 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.359 -5.520 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.661 -6.530 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.621 -8.446 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.102 -7.459 1.896 1.00 0.00 H new ATOM 1267 N THR A 89 -4.803 -4.119 -2.114 1.00 0.00 N ATOM 1268 CA THR A 89 -5.006 -2.736 -2.571 1.00 0.00 C ATOM 1269 C THR A 89 -6.517 -2.448 -2.662 1.00 0.00 C ATOM 1270 O THR A 89 -7.318 -3.351 -2.428 1.00 0.00 O ATOM 1271 CB THR A 89 -4.241 -2.486 -3.885 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.857 -3.193 -4.934 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.778 -2.915 -3.767 1.00 0.00 C ATOM 0 H THR A 89 -4.644 -4.796 -2.860 1.00 0.00 H new ATOM 0 HA THR A 89 -4.592 -2.029 -1.852 1.00 0.00 H new ATOM 0 HB THR A 89 -4.266 -1.416 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.688 -2.741 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.266 -2.726 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.295 -2.347 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.728 -3.979 -3.534 1.00 0.00 H new ATOM 1281 N HIS A 90 -6.914 -1.215 -3.007 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.309 -0.826 -3.250 1.00 0.00 C ATOM 1283 C HIS A 90 -9.141 -0.825 -1.961 1.00 0.00 C ATOM 1284 O HIS A 90 -10.158 -1.512 -1.890 1.00 0.00 O ATOM 1285 CB HIS A 90 -8.976 -1.691 -4.348 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.313 -1.705 -5.703 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -6.982 -1.930 -5.953 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -8.937 -1.604 -6.918 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.806 -1.994 -7.280 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.972 -1.791 -7.913 1.00 0.00 N ATOM 0 H HIS A 90 -6.258 -0.443 -3.127 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.280 0.199 -3.620 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.029 -2.718 -3.986 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.002 -1.345 -4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.988 -1.414 -7.079 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.862 -2.182 -7.770 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.124 -1.776 -8.921 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.724 -0.057 -0.944 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.370 -0.044 0.371 1.00 0.00 C ATOM 1300 C LYS A 91 -9.732 1.361 0.845 1.00 0.00 C ATOM 1301 O LYS A 91 -9.754 1.620 2.045 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.485 -0.770 1.389 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.091 -2.150 0.865 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.286 -3.081 0.799 1.00 0.00 C ATOM 1305 CE LYS A 91 -8.980 -4.294 -0.073 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.664 -5.510 0.403 1.00 0.00 N ATOM 0 H LYS A 91 -7.926 0.574 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.317 -0.575 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.590 -0.181 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.017 -0.872 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.650 -2.051 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.327 -2.582 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.554 -3.408 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.147 -2.547 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.283 -4.087 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.904 -4.467 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.960 -6.185 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.327 -5.260 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.188 -5.944 -0.384 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.073 2.252 -0.081 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.586 3.567 0.266 1.00 0.00 C ATOM 1322 C GLU A 92 -11.880 3.415 1.073 1.00 0.00 C ATOM 1323 O GLU A 92 -11.889 3.641 2.285 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.748 4.367 -1.032 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.299 5.772 -0.783 1.00 0.00 C ATOM 1326 CD GLU A 92 -10.943 6.694 -1.937 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -9.722 6.878 -2.118 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -11.871 7.203 -2.596 1.00 0.00 O ATOM 0 H GLU A 92 -10.001 2.082 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.900 4.121 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.783 4.441 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.417 3.831 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.382 5.729 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.892 6.169 0.147 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.958 2.944 0.441 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.245 2.752 1.105 1.00 0.00 C ATOM 1337 C GLU A 93 -14.273 1.419 1.880 1.00 0.00 C ATOM 1338 O GLU A 93 -15.162 0.590 1.705 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.378 2.860 0.072 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.401 4.223 -0.643 1.00 0.00 C ATOM 1341 CD GLU A 93 -16.523 4.316 -1.676 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.473 3.511 -1.571 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -16.409 5.190 -2.562 1.00 0.00 O ATOM 0 H GLU A 93 -12.961 2.686 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.394 3.538 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.266 2.068 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.334 2.699 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.523 5.016 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.443 4.389 -1.135 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.259 1.243 2.727 1.00 0.00 N ATOM 1351 CA GLU A 94 -12.987 0.158 3.655 1.00 0.00 C ATOM 1352 C GLU A 94 -12.380 0.729 4.940 1.00 0.00 C ATOM 1353 O GLU A 94 -12.663 0.218 6.024 1.00 0.00 O ATOM 1354 CB GLU A 94 -11.981 -0.806 3.018 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.650 -1.923 2.215 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.528 -3.285 2.904 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.397 -3.636 3.321 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -13.550 -3.986 3.015 1.00 0.00 O ATOM 0 H GLU A 94 -12.523 1.947 2.781 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.914 -0.367 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.313 -0.246 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.364 -1.248 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.704 -1.684 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.198 -1.977 1.225 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.480 1.717 4.828 1.00 0.00 N ATOM 1366 CA ILE A 95 -10.919 2.385 5.990 1.00 0.00 C ATOM 1367 C ILE A 95 -11.904 3.367 6.626 1.00 0.00 C ATOM 1368 O ILE A 95 -11.993 3.413 7.855 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.547 2.993 5.660 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.594 4.103 4.611 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.597 1.875 5.228 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.300 4.901 4.576 1.00 0.00 C ATOM 0 H ILE A 95 -11.130 2.066 3.936 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.742 1.638 6.764 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.183 3.475 6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.779 3.668 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.428 4.771 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.621 2.298 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.493 1.153 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.999 1.376 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.374 5.680 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.128 5.358 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.470 4.237 4.335 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.612 4.160 5.818 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.634 5.071 6.317 1.00 0.00 C ATOM 1386 C VAL A 96 -14.947 4.310 6.514 1.00 0.00 C ATOM 1387 O VAL A 96 -15.771 4.796 7.318 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.804 6.291 5.391 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.514 7.115 5.303 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.249 5.916 3.972 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.108 3.260 5.848 1.00 0.00 O ATOM 0 H VAL A 96 -12.491 4.186 4.806 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.317 5.463 7.283 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.594 6.887 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.671 7.967 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.242 7.472 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.711 6.493 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.350 6.820 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.505 5.261 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.208 5.401 4.016 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.787 10.526 -1.442 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -2.954 8.123 -1.770 1.00 0.00 FE HETATM 1404 S1 FES A 97 -4.482 9.120 -2.967 1.00 0.00 S HETATM 1405 S2 FES A 97 -1.887 9.724 -0.766 1.00 0.00 S