USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 972 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 54 ASN : amide:sc= -0.012 X(o=-0.52,f=-0.63) USER MOD Set 1.2: A 64 TYR OH : rot -130:sc= -0.506 USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= 0.735 X(o=-0.69,f=-0.3) USER MOD Set 2.2: A 35 HIS : no HE2:sc= -1.04! X(o=-0.3!,f=-0.69) USER MOD Set 3.1: A 9 ASN : amide:sc= -0.0374 K(o=-0.037,f=-3.4!) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 GLN :FLIP amide:sc= -0.182 F(o=-1,f=-0.28) USER MOD Set 4.2: A 13 CYS SG : rot 180:sc= -0.0951 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.0663 (180deg=-0.0797) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.114 (180deg=-0.0479) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0.32 (180deg=0.32) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0154 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0397) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 0.728 (180deg=-0.00453) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -116:sc= 1.43 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 36 THR OG1 : rot -36:sc= 0.256 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 0.897 (180deg=0.041) USER MOD Single : A 44 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0644 F(o=-1.7,f=-0.064) USER MOD Single : A 49 THR OG1 : rot -66:sc= 1.28 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.127 K(o=-0.13,f=-3!) USER MOD Single : A 59 THR OG1 : rot 63:sc= 0.663 USER MOD Single : A 60 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-0.94) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0.721 (180deg=0.695) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.11 K(o=0.11,f=-0.42) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.597 F(o=-1.1,f=-0.6) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 84:sc= 0.102 USER MOD Single : A 81 LYS NZ :NH3+ -118:sc= 0.261 (180deg=-0.0762) USER MOD Single : A 86 SER OG : rot 81:sc= 0.806 USER MOD Single : A 87 SER OG : rot 71:sc= 1.17 USER MOD Single : A 90 MET CE :methyl -136:sc= -2.6! (180deg=-4.19!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 179:sc= -0.552 (180deg=-0.555) USER MOD Single : A 102 LYS NZ :NH3+ -174:sc=-0.00657 (180deg=-0.0674) USER MOD Single : A 104 THR OG1 : rot 80:sc= -0.313 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.0176 F(o=-0.62,f=-0.018) USER MOD Single : A 112 TYR OH : rot 30:sc= -0.941 USER MOD Single : A 113 LYS NZ :NH3+ 169:sc= 0.175 (180deg=0.143) USER MOD Single : A 115 THR OG1 : rot 87:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.431 -1.024 -0.608 1.00 0.00 N ATOM 2 CA MET A 1 2.386 -0.761 -1.712 1.00 0.00 C ATOM 3 C MET A 1 3.615 -1.671 -1.585 1.00 0.00 C ATOM 4 O MET A 1 3.695 -2.489 -0.655 1.00 0.00 O ATOM 5 CB MET A 1 2.775 0.745 -1.750 1.00 0.00 C ATOM 6 CG MET A 1 3.508 1.293 -0.512 1.00 0.00 C ATOM 7 SD MET A 1 3.488 3.104 -0.488 1.00 0.00 S ATOM 8 CE MET A 1 4.289 3.496 1.061 1.00 0.00 C ATOM 0 H1 MET A 1 0.561 -1.443 -0.994 1.00 0.00 H new ATOM 0 H2 MET A 1 1.860 -1.683 0.073 1.00 0.00 H new ATOM 0 H3 MET A 1 1.201 -0.131 -0.128 1.00 0.00 H new ATOM 0 HA MET A 1 1.904 -0.995 -2.662 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.406 0.913 -2.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.866 1.329 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.036 0.909 0.393 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.539 0.938 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.366 4.578 1.167 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.703 3.091 1.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.287 3.059 1.075 1.00 0.00 H new ATOM 18 N ILE A 2 4.548 -1.535 -2.548 1.00 0.00 N ATOM 19 CA ILE A 2 5.788 -2.334 -2.608 1.00 0.00 C ATOM 20 C ILE A 2 6.591 -2.195 -1.305 1.00 0.00 C ATOM 21 O ILE A 2 7.116 -1.133 -1.020 1.00 0.00 O ATOM 22 CB ILE A 2 6.700 -1.874 -3.813 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.926 -1.941 -5.166 1.00 0.00 C ATOM 24 CG2 ILE A 2 8.018 -2.692 -3.889 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.628 -1.243 -6.328 1.00 0.00 C ATOM 0 H ILE A 2 4.462 -0.863 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 2 5.495 -3.374 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 2 6.971 -0.835 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.767 -2.987 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.941 -1.493 -5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.615 -2.343 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.582 -2.560 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.784 -3.748 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.022 -1.338 -7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.763 -0.188 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.601 -1.704 -6.495 1.00 0.00 H new ATOM 37 N LYS A 3 6.631 -3.262 -0.512 1.00 0.00 N ATOM 38 CA LYS A 3 7.500 -3.352 0.669 1.00 0.00 C ATOM 39 C LYS A 3 8.973 -3.424 0.215 1.00 0.00 C ATOM 40 O LYS A 3 9.528 -4.511 0.012 1.00 0.00 O ATOM 41 CB LYS A 3 7.109 -4.591 1.512 1.00 0.00 C ATOM 42 CG LYS A 3 5.625 -4.641 1.920 1.00 0.00 C ATOM 43 CD LYS A 3 5.231 -3.527 2.913 1.00 0.00 C ATOM 44 CE LYS A 3 3.759 -3.618 3.351 1.00 0.00 C ATOM 45 NZ LYS A 3 3.428 -2.584 4.366 1.00 0.00 N ATOM 0 H LYS A 3 6.062 -4.094 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 3 7.375 -2.467 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.348 -5.491 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.722 -4.610 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.006 -4.558 1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.410 -5.611 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.872 -3.586 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.410 -2.555 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.112 -3.497 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.561 -4.608 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.429 -2.673 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.029 -2.715 5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.594 -1.639 3.966 1.00 0.00 H new ATOM 59 N PHE A 4 9.558 -2.240 -0.010 1.00 0.00 N ATOM 60 CA PHE A 4 10.938 -2.093 -0.485 1.00 0.00 C ATOM 61 C PHE A 4 11.886 -2.162 0.719 1.00 0.00 C ATOM 62 O PHE A 4 12.106 -1.161 1.414 1.00 0.00 O ATOM 63 CB PHE A 4 11.098 -0.756 -1.275 1.00 0.00 C ATOM 64 CG PHE A 4 12.522 -0.471 -1.773 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.176 -1.364 -2.621 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.210 0.684 -1.382 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.461 -1.120 -3.063 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.499 0.926 -1.827 1.00 0.00 C ATOM 69 CZ PHE A 4 15.123 0.026 -2.665 1.00 0.00 C ATOM 0 H PHE A 4 9.081 -1.350 0.134 1.00 0.00 H new ATOM 0 HA PHE A 4 11.189 -2.902 -1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.425 -0.774 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.779 0.068 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.668 -2.263 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.730 1.395 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.949 -1.825 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.017 1.822 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.128 0.217 -3.010 1.00 0.00 H new ATOM 79 N TYR A 5 12.402 -3.367 0.988 1.00 0.00 N ATOM 80 CA TYR A 5 13.365 -3.580 2.065 1.00 0.00 C ATOM 81 C TYR A 5 14.776 -3.204 1.580 1.00 0.00 C ATOM 82 O TYR A 5 15.167 -3.525 0.449 1.00 0.00 O ATOM 83 CB TYR A 5 13.321 -5.038 2.561 1.00 0.00 C ATOM 84 CG TYR A 5 12.027 -5.417 3.310 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.908 -5.886 2.626 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.938 -5.328 4.704 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.758 -6.253 3.290 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.782 -5.691 5.369 1.00 0.00 C ATOM 89 CZ TYR A 5 9.698 -6.155 4.657 1.00 0.00 C ATOM 90 OH TYR A 5 8.546 -6.521 5.315 1.00 0.00 O ATOM 0 H TYR A 5 12.164 -4.212 0.469 1.00 0.00 H new ATOM 0 HA TYR A 5 13.101 -2.940 2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.440 -5.704 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.172 -5.211 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.943 -5.964 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.786 -4.970 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.906 -6.617 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.729 -5.611 6.445 1.00 0.00 H new ATOM 0 HH TYR A 5 8.665 -6.394 6.279 1.00 0.00 H new ATOM 100 N GLN A 6 15.499 -2.489 2.443 1.00 0.00 N ATOM 101 CA GLN A 6 16.885 -2.059 2.218 1.00 0.00 C ATOM 102 C GLN A 6 17.502 -1.705 3.568 1.00 0.00 C ATOM 103 O GLN A 6 16.782 -1.537 4.540 1.00 0.00 O ATOM 104 CB GLN A 6 16.931 -0.864 1.207 1.00 0.00 C ATOM 105 CG GLN A 6 16.020 0.351 1.558 1.00 0.00 C ATOM 106 CD GLN A 6 16.572 1.309 2.634 1.00 0.00 C ATOM 107 OE1 GLN A 6 17.886 1.536 2.634 1.00 0.00 O flip ATOM 108 NE2 GLN A 6 15.818 1.869 3.427 1.00 0.00 N flip ATOM 0 H GLN A 6 15.129 -2.183 3.343 1.00 0.00 H new ATOM 0 HA GLN A 6 17.469 -2.863 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.961 -0.514 1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.648 -1.234 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.839 0.922 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.054 -0.027 1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.817 1.675 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.193 2.528 4.109 1.00 0.00 H new ATOM 117 N TYR A 7 18.828 -1.603 3.646 1.00 0.00 N ATOM 118 CA TYR A 7 19.496 -1.092 4.852 1.00 0.00 C ATOM 119 C TYR A 7 20.688 -0.248 4.420 1.00 0.00 C ATOM 120 O TYR A 7 21.744 -0.790 4.060 1.00 0.00 O ATOM 121 CB TYR A 7 19.917 -2.240 5.805 1.00 0.00 C ATOM 122 CG TYR A 7 20.267 -1.772 7.229 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.269 -1.268 8.074 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.571 -1.838 7.733 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.559 -0.848 9.362 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.861 -1.418 9.019 1.00 0.00 C ATOM 127 CZ TYR A 7 20.855 -0.924 9.828 1.00 0.00 C ATOM 128 OH TYR A 7 21.147 -0.509 11.108 1.00 0.00 O ATOM 0 H TYR A 7 19.464 -1.866 2.893 1.00 0.00 H new ATOM 0 HA TYR A 7 18.801 -0.473 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 7 19.107 -2.968 5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.779 -2.754 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.253 -1.206 7.714 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.363 -2.223 7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.775 -0.463 9.997 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.873 -1.476 9.391 1.00 0.00 H new ATOM 0 HH TYR A 7 22.104 -0.630 11.281 1.00 0.00 H new ATOM 138 N LYS A 8 20.472 1.087 4.420 1.00 0.00 N ATOM 139 CA LYS A 8 21.454 2.091 3.977 1.00 0.00 C ATOM 140 C LYS A 8 21.809 1.843 2.489 1.00 0.00 C ATOM 141 O LYS A 8 20.911 1.431 1.722 1.00 0.00 O ATOM 142 CB LYS A 8 22.685 2.096 4.942 1.00 0.00 C ATOM 143 CG LYS A 8 22.307 2.377 6.416 1.00 0.00 C ATOM 144 CD LYS A 8 23.507 2.330 7.385 1.00 0.00 C ATOM 145 CE LYS A 8 23.071 2.591 8.842 1.00 0.00 C ATOM 146 NZ LYS A 8 24.205 2.567 9.794 1.00 0.00 N ATOM 0 H LYS A 8 19.594 1.499 4.734 1.00 0.00 H new ATOM 0 HA LYS A 8 21.035 3.096 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.189 1.132 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.397 2.850 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.838 3.359 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.564 1.647 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.991 1.356 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.246 3.074 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.575 3.560 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.339 1.840 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.854 2.748 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.665 1.635 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.893 3.301 9.533 1.00 0.00 H new ATOM 160 N ASN A 9 23.074 2.117 2.086 1.00 0.00 N ATOM 161 CA ASN A 9 23.571 1.862 0.717 1.00 0.00 C ATOM 162 C ASN A 9 22.770 2.714 -0.288 1.00 0.00 C ATOM 163 O ASN A 9 21.853 2.224 -0.945 1.00 0.00 O ATOM 164 CB ASN A 9 23.545 0.329 0.373 1.00 0.00 C ATOM 165 CG ASN A 9 24.242 -0.060 -0.947 1.00 0.00 C ATOM 166 OD1 ASN A 9 24.325 0.718 -1.901 1.00 0.00 O ATOM 167 ND2 ASN A 9 24.734 -1.290 -1.014 1.00 0.00 N ATOM 0 H ASN A 9 23.777 2.522 2.704 1.00 0.00 H new ATOM 0 HA ASN A 9 24.617 2.162 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 9 24.017 -0.218 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 9 22.507 0.001 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 9 25.193 -1.610 -1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 9 24.654 -1.916 -0.212 1.00 0.00 H new ATOM 174 N CYS A 10 23.105 4.010 -0.349 1.00 0.00 N ATOM 175 CA CYS A 10 22.441 4.992 -1.231 1.00 0.00 C ATOM 176 C CYS A 10 22.581 4.608 -2.724 1.00 0.00 C ATOM 177 O CYS A 10 21.703 4.908 -3.541 1.00 0.00 O ATOM 178 CB CYS A 10 23.036 6.389 -0.966 1.00 0.00 C ATOM 179 SG CYS A 10 22.950 6.892 0.770 1.00 0.00 S ATOM 0 H CYS A 10 23.851 4.415 0.216 1.00 0.00 H new ATOM 0 HA CYS A 10 21.375 4.999 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.077 6.399 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 10 22.507 7.122 -1.575 1.00 0.00 H new ATOM 0 HG CYS A 10 23.473 8.075 0.906 1.00 0.00 H new ATOM 185 N THR A 11 23.682 3.905 -3.040 1.00 0.00 N ATOM 186 CA THR A 11 24.009 3.445 -4.403 1.00 0.00 C ATOM 187 C THR A 11 22.962 2.416 -4.925 1.00 0.00 C ATOM 188 O THR A 11 22.735 2.299 -6.135 1.00 0.00 O ATOM 189 CB THR A 11 25.453 2.829 -4.412 1.00 0.00 C ATOM 190 OG1 THR A 11 26.358 3.710 -3.713 1.00 0.00 O ATOM 191 CG2 THR A 11 25.989 2.603 -5.837 1.00 0.00 C ATOM 0 H THR A 11 24.380 3.636 -2.347 1.00 0.00 H new ATOM 0 HA THR A 11 23.979 4.301 -5.077 1.00 0.00 H new ATOM 0 HB THR A 11 25.390 1.859 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.259 3.324 -3.717 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.990 2.176 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 11 25.329 1.918 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 11 26.028 3.555 -6.366 1.00 0.00 H new ATOM 199 N THR A 12 22.340 1.673 -3.989 1.00 0.00 N ATOM 200 CA THR A 12 21.233 0.742 -4.286 1.00 0.00 C ATOM 201 C THR A 12 19.870 1.423 -4.043 1.00 0.00 C ATOM 202 O THR A 12 19.071 1.584 -4.970 1.00 0.00 O ATOM 203 CB THR A 12 21.334 -0.537 -3.389 1.00 0.00 C ATOM 204 OG1 THR A 12 22.605 -1.177 -3.598 1.00 0.00 O ATOM 205 CG2 THR A 12 20.189 -1.537 -3.646 1.00 0.00 C ATOM 0 H THR A 12 22.592 1.702 -3.001 1.00 0.00 H new ATOM 0 HA THR A 12 21.311 0.455 -5.335 1.00 0.00 H new ATOM 0 HB THR A 12 21.244 -0.213 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.666 -1.976 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.310 -2.404 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.233 -1.057 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.213 -1.858 -4.687 1.00 0.00 H new ATOM 213 N CYS A 13 19.654 1.817 -2.770 1.00 0.00 N ATOM 214 CA CYS A 13 18.365 2.299 -2.236 1.00 0.00 C ATOM 215 C CYS A 13 17.797 3.458 -3.057 1.00 0.00 C ATOM 216 O CYS A 13 16.689 3.359 -3.568 1.00 0.00 O ATOM 217 CB CYS A 13 18.530 2.733 -0.761 1.00 0.00 C ATOM 218 SG CYS A 13 17.045 3.462 -0.024 1.00 0.00 S ATOM 0 H CYS A 13 20.393 1.808 -2.067 1.00 0.00 H new ATOM 0 HA CYS A 13 17.658 1.472 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.825 1.865 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.344 3.455 -0.696 1.00 0.00 H new ATOM 0 HG CYS A 13 17.289 3.788 1.211 1.00 0.00 H new ATOM 224 N LYS A 14 18.597 4.523 -3.229 1.00 0.00 N ATOM 225 CA LYS A 14 18.135 5.776 -3.861 1.00 0.00 C ATOM 226 C LYS A 14 17.901 5.610 -5.372 1.00 0.00 C ATOM 227 O LYS A 14 17.037 6.273 -5.932 1.00 0.00 O ATOM 228 CB LYS A 14 19.144 6.922 -3.594 1.00 0.00 C ATOM 229 CG LYS A 14 19.356 7.257 -2.100 1.00 0.00 C ATOM 230 CD LYS A 14 18.064 7.725 -1.392 1.00 0.00 C ATOM 231 CE LYS A 14 17.497 9.035 -1.962 1.00 0.00 C ATOM 232 NZ LYS A 14 18.442 10.178 -1.801 1.00 0.00 N ATOM 0 H LYS A 14 19.574 4.543 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 14 17.177 6.032 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.105 6.652 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 14 18.800 7.819 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.744 6.376 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.113 8.036 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.309 6.944 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.268 7.858 -0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.270 8.900 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.558 9.270 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.984 11.055 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.706 10.272 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.296 10.005 -2.369 1.00 0.00 H new ATOM 246 N LYS A 15 18.679 4.722 -6.016 1.00 0.00 N ATOM 247 CA LYS A 15 18.567 4.456 -7.467 1.00 0.00 C ATOM 248 C LYS A 15 17.285 3.663 -7.785 1.00 0.00 C ATOM 249 O LYS A 15 16.538 4.009 -8.711 1.00 0.00 O ATOM 250 CB LYS A 15 19.826 3.702 -7.973 1.00 0.00 C ATOM 251 CG LYS A 15 21.159 4.518 -7.954 1.00 0.00 C ATOM 252 CD LYS A 15 21.446 5.292 -9.275 1.00 0.00 C ATOM 253 CE LYS A 15 20.496 6.479 -9.530 1.00 0.00 C ATOM 254 NZ LYS A 15 20.687 7.064 -10.878 1.00 0.00 N ATOM 0 H LYS A 15 19.400 4.170 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 15 18.503 5.411 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.960 2.808 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.641 3.368 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.126 5.229 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.987 3.837 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.472 5.660 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.375 4.598 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.464 6.147 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.664 7.247 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.029 7.859 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.665 7.405 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.501 6.339 -11.600 1.00 0.00 H new ATOM 268 N ALA A 16 17.048 2.614 -6.984 1.00 0.00 N ATOM 269 CA ALA A 16 15.839 1.773 -7.074 1.00 0.00 C ATOM 270 C ALA A 16 14.589 2.602 -6.755 1.00 0.00 C ATOM 271 O ALA A 16 13.569 2.521 -7.454 1.00 0.00 O ATOM 272 CB ALA A 16 15.968 0.583 -6.109 1.00 0.00 C ATOM 0 H ALA A 16 17.692 2.321 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 16 15.739 1.392 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.075 -0.038 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.843 -0.010 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.078 0.952 -5.089 1.00 0.00 H new ATOM 278 N ALA A 17 14.727 3.439 -5.714 1.00 0.00 N ATOM 279 CA ALA A 17 13.680 4.355 -5.241 1.00 0.00 C ATOM 280 C ALA A 17 13.298 5.372 -6.328 1.00 0.00 C ATOM 281 O ALA A 17 12.120 5.629 -6.562 1.00 0.00 O ATOM 282 CB ALA A 17 14.168 5.094 -3.982 1.00 0.00 C ATOM 0 H ALA A 17 15.587 3.498 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 17 12.794 3.767 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.389 5.773 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.395 4.370 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.066 5.664 -4.220 1.00 0.00 H new ATOM 288 N LYS A 18 14.329 5.927 -6.987 1.00 0.00 N ATOM 289 CA LYS A 18 14.170 6.938 -8.050 1.00 0.00 C ATOM 290 C LYS A 18 13.507 6.327 -9.293 1.00 0.00 C ATOM 291 O LYS A 18 12.688 6.965 -9.915 1.00 0.00 O ATOM 292 CB LYS A 18 15.552 7.554 -8.410 1.00 0.00 C ATOM 293 CG LYS A 18 15.584 8.591 -9.579 1.00 0.00 C ATOM 294 CD LYS A 18 14.872 9.954 -9.288 1.00 0.00 C ATOM 295 CE LYS A 18 13.373 9.985 -9.674 1.00 0.00 C ATOM 296 NZ LYS A 18 12.756 11.307 -9.434 1.00 0.00 N ATOM 0 H LYS A 18 15.302 5.687 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 18 13.519 7.730 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.950 8.037 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.231 6.739 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.624 8.792 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.121 8.139 -10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.966 10.180 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.391 10.745 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.266 9.723 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.837 9.228 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.894 11.189 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.427 11.916 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.512 11.747 -10.344 1.00 0.00 H new ATOM 310 N PHE A 19 13.864 5.083 -9.629 1.00 0.00 N ATOM 311 CA PHE A 19 13.351 4.389 -10.827 1.00 0.00 C ATOM 312 C PHE A 19 11.829 4.111 -10.687 1.00 0.00 C ATOM 313 O PHE A 19 11.027 4.385 -11.612 1.00 0.00 O ATOM 314 CB PHE A 19 14.168 3.087 -11.031 1.00 0.00 C ATOM 315 CG PHE A 19 13.910 2.360 -12.344 1.00 0.00 C ATOM 316 CD1 PHE A 19 13.940 3.044 -13.557 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.656 0.992 -12.372 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.720 2.386 -14.750 1.00 0.00 C ATOM 319 CE2 PHE A 19 13.434 0.336 -13.565 1.00 0.00 C ATOM 320 CZ PHE A 19 13.466 1.034 -14.755 1.00 0.00 C ATOM 0 H PHE A 19 14.517 4.524 -9.081 1.00 0.00 H new ATOM 0 HA PHE A 19 13.472 5.018 -11.709 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.229 3.329 -10.970 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.949 2.407 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.138 4.106 -13.564 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.632 0.436 -11.446 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.747 2.933 -15.681 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.235 -0.725 -13.568 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.292 0.520 -15.689 1.00 0.00 H new ATOM 330 N LEU A 20 11.451 3.607 -9.495 1.00 0.00 N ATOM 331 CA LEU A 20 10.044 3.404 -9.101 1.00 0.00 C ATOM 332 C LEU A 20 9.279 4.750 -9.126 1.00 0.00 C ATOM 333 O LEU A 20 8.219 4.862 -9.749 1.00 0.00 O ATOM 334 CB LEU A 20 9.997 2.745 -7.692 1.00 0.00 C ATOM 335 CG LEU A 20 10.449 1.247 -7.633 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.640 0.761 -6.180 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.447 0.345 -8.385 1.00 0.00 C ATOM 0 H LEU A 20 12.118 3.328 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 20 9.554 2.738 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.629 3.324 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.978 2.814 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 20 11.418 1.178 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.954 -0.283 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.402 1.367 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.699 0.855 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.780 -0.692 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.462 0.434 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.391 0.655 -9.428 1.00 0.00 H new ATOM 349 N ASP A 21 9.878 5.779 -8.497 1.00 0.00 N ATOM 350 CA ASP A 21 9.315 7.153 -8.417 1.00 0.00 C ATOM 351 C ASP A 21 9.218 7.827 -9.804 1.00 0.00 C ATOM 352 O ASP A 21 8.326 8.650 -10.043 1.00 0.00 O ATOM 353 CB ASP A 21 10.185 8.016 -7.462 1.00 0.00 C ATOM 354 CG ASP A 21 9.741 9.490 -7.365 1.00 0.00 C ATOM 355 OD1 ASP A 21 8.685 9.762 -6.753 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.446 10.385 -7.879 1.00 0.00 O ATOM 0 H ASP A 21 10.776 5.685 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 21 8.300 7.075 -8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.160 7.574 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.221 7.981 -7.800 1.00 0.00 H new ATOM 361 N GLU A 22 10.131 7.442 -10.710 1.00 0.00 N ATOM 362 CA GLU A 22 10.203 7.987 -12.080 1.00 0.00 C ATOM 363 C GLU A 22 8.969 7.547 -12.879 1.00 0.00 C ATOM 364 O GLU A 22 8.370 8.333 -13.617 1.00 0.00 O ATOM 365 CB GLU A 22 11.504 7.509 -12.784 1.00 0.00 C ATOM 366 CG GLU A 22 11.679 8.011 -14.231 1.00 0.00 C ATOM 367 CD GLU A 22 11.866 9.540 -14.333 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.021 10.017 -14.237 1.00 0.00 O ATOM 369 OE2 GLU A 22 10.865 10.275 -14.495 1.00 0.00 O ATOM 0 H GLU A 22 10.845 6.740 -10.514 1.00 0.00 H new ATOM 0 HA GLU A 22 10.221 9.076 -12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.360 7.837 -12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.518 6.419 -12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.542 7.517 -14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.807 7.720 -14.816 1.00 0.00 H new ATOM 376 N TYR A 23 8.595 6.270 -12.711 1.00 0.00 N ATOM 377 CA TYR A 23 7.356 5.718 -13.304 1.00 0.00 C ATOM 378 C TYR A 23 6.111 5.996 -12.419 1.00 0.00 C ATOM 379 O TYR A 23 5.004 5.536 -12.739 1.00 0.00 O ATOM 380 CB TYR A 23 7.551 4.204 -13.574 1.00 0.00 C ATOM 381 CG TYR A 23 8.381 3.883 -14.831 1.00 0.00 C ATOM 382 CD1 TYR A 23 9.701 4.334 -14.969 1.00 0.00 C ATOM 383 CD2 TYR A 23 7.850 3.108 -15.870 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.454 4.024 -16.090 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.600 2.799 -16.989 1.00 0.00 C ATOM 386 CZ TYR A 23 9.898 3.255 -17.097 1.00 0.00 C ATOM 387 OH TYR A 23 10.644 2.943 -18.216 1.00 0.00 O ATOM 0 H TYR A 23 9.132 5.593 -12.168 1.00 0.00 H new ATOM 0 HA TYR A 23 7.165 6.223 -14.251 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.036 3.753 -12.708 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.572 3.736 -13.671 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.140 4.935 -14.186 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.836 2.745 -15.795 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.470 4.381 -16.177 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.170 2.201 -17.779 1.00 0.00 H new ATOM 0 HH TYR A 23 10.106 2.396 -18.826 1.00 0.00 H new ATOM 397 N GLY A 24 6.300 6.755 -11.316 1.00 0.00 N ATOM 398 CA GLY A 24 5.201 7.141 -10.407 1.00 0.00 C ATOM 399 C GLY A 24 4.754 6.020 -9.460 1.00 0.00 C ATOM 400 O GLY A 24 3.862 6.215 -8.625 1.00 0.00 O ATOM 0 H GLY A 24 7.212 7.114 -11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.518 7.999 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.346 7.463 -11.002 1.00 0.00 H new ATOM 404 N VAL A 25 5.404 4.858 -9.584 1.00 0.00 N ATOM 405 CA VAL A 25 5.056 3.626 -8.861 1.00 0.00 C ATOM 406 C VAL A 25 5.536 3.710 -7.397 1.00 0.00 C ATOM 407 O VAL A 25 6.733 3.884 -7.133 1.00 0.00 O ATOM 408 CB VAL A 25 5.689 2.400 -9.607 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.421 1.060 -8.886 1.00 0.00 C ATOM 410 CG2 VAL A 25 5.183 2.353 -11.071 1.00 0.00 C ATOM 0 H VAL A 25 6.206 4.743 -10.204 1.00 0.00 H new ATOM 0 HA VAL A 25 3.974 3.500 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 25 6.770 2.539 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.882 0.247 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.846 1.095 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.346 0.891 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.627 1.499 -11.582 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.097 2.256 -11.078 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.468 3.271 -11.584 1.00 0.00 H new ATOM 420 N SER A 26 4.581 3.609 -6.462 1.00 0.00 N ATOM 421 CA SER A 26 4.826 3.831 -5.031 1.00 0.00 C ATOM 422 C SER A 26 5.500 2.609 -4.376 1.00 0.00 C ATOM 423 O SER A 26 5.235 1.460 -4.744 1.00 0.00 O ATOM 424 CB SER A 26 3.501 4.174 -4.311 1.00 0.00 C ATOM 425 OG SER A 26 3.727 4.611 -2.980 1.00 0.00 O ATOM 0 H SER A 26 3.613 3.370 -6.678 1.00 0.00 H new ATOM 0 HA SER A 26 5.510 4.674 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.976 4.952 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.854 3.297 -4.302 1.00 0.00 H new ATOM 0 HG SER A 26 3.326 3.973 -2.354 1.00 0.00 H new ATOM 431 N TYR A 27 6.357 2.902 -3.392 1.00 0.00 N ATOM 432 CA TYR A 27 7.142 1.905 -2.646 1.00 0.00 C ATOM 433 C TYR A 27 7.210 2.319 -1.162 1.00 0.00 C ATOM 434 O TYR A 27 6.892 3.464 -0.815 1.00 0.00 O ATOM 435 CB TYR A 27 8.570 1.784 -3.251 1.00 0.00 C ATOM 436 CG TYR A 27 9.352 3.104 -3.257 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.162 4.047 -4.271 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.252 3.424 -2.235 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.830 5.250 -4.264 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.927 4.627 -2.228 1.00 0.00 C ATOM 441 CZ TYR A 27 10.709 5.542 -3.243 1.00 0.00 C ATOM 442 OH TYR A 27 11.375 6.753 -3.238 1.00 0.00 O ATOM 0 H TYR A 27 6.530 3.859 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 27 6.660 0.930 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.133 1.041 -2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.492 1.414 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.477 3.827 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.421 2.716 -1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.666 5.964 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.623 4.854 -1.434 1.00 0.00 H new ATOM 0 HH TYR A 27 11.956 6.804 -2.450 1.00 0.00 H new ATOM 452 N GLU A 28 7.677 1.402 -0.309 1.00 0.00 N ATOM 453 CA GLU A 28 7.776 1.591 1.142 1.00 0.00 C ATOM 454 C GLU A 28 9.226 1.272 1.561 1.00 0.00 C ATOM 455 O GLU A 28 9.566 0.096 1.690 1.00 0.00 O ATOM 456 CB GLU A 28 6.751 0.665 1.872 1.00 0.00 C ATOM 457 CG GLU A 28 6.725 0.814 3.408 1.00 0.00 C ATOM 458 CD GLU A 28 5.571 0.046 4.084 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.398 0.253 3.695 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.823 -0.768 5.004 1.00 0.00 O ATOM 0 H GLU A 28 8.004 0.486 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 28 7.537 2.618 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.754 0.873 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.979 -0.372 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.673 0.461 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.644 1.871 3.661 1.00 0.00 H new ATOM 467 N PRO A 29 10.120 2.310 1.708 1.00 0.00 N ATOM 468 CA PRO A 29 11.541 2.100 2.065 1.00 0.00 C ATOM 469 C PRO A 29 11.715 1.760 3.568 1.00 0.00 C ATOM 470 O PRO A 29 11.906 2.641 4.420 1.00 0.00 O ATOM 471 CB PRO A 29 12.207 3.448 1.662 1.00 0.00 C ATOM 472 CG PRO A 29 11.122 4.470 1.847 1.00 0.00 C ATOM 473 CD PRO A 29 9.816 3.760 1.522 1.00 0.00 C ATOM 0 HA PRO A 29 11.995 1.248 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.071 3.668 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.559 3.425 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.115 4.851 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.275 5.325 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.013 4.085 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.494 3.970 0.502 1.00 0.00 H new ATOM 481 N ILE A 30 11.583 0.461 3.879 1.00 0.00 N ATOM 482 CA ILE A 30 11.695 -0.082 5.249 1.00 0.00 C ATOM 483 C ILE A 30 13.020 -0.849 5.410 1.00 0.00 C ATOM 484 O ILE A 30 13.500 -1.483 4.473 1.00 0.00 O ATOM 485 CB ILE A 30 10.451 -1.001 5.622 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.995 -1.866 4.395 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.282 -0.153 6.189 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.749 -2.711 4.614 1.00 0.00 C ATOM 0 H ILE A 30 11.393 -0.255 3.178 1.00 0.00 H new ATOM 0 HA ILE A 30 11.691 0.757 5.945 1.00 0.00 H new ATOM 0 HB ILE A 30 10.766 -1.690 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.817 -1.201 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.815 -2.526 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.445 -0.806 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.613 0.368 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.966 0.576 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.523 -3.268 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.922 -3.409 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.908 -2.063 4.861 1.00 0.00 H new ATOM 500 N ASP A 31 13.612 -0.752 6.610 1.00 0.00 N ATOM 501 CA ASP A 31 14.896 -1.400 6.936 1.00 0.00 C ATOM 502 C ASP A 31 14.714 -2.919 7.008 1.00 0.00 C ATOM 503 O ASP A 31 13.859 -3.391 7.746 1.00 0.00 O ATOM 504 CB ASP A 31 15.448 -0.890 8.281 1.00 0.00 C ATOM 505 CG ASP A 31 15.606 0.637 8.360 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.573 1.353 8.373 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.747 1.136 8.415 1.00 0.00 O ATOM 0 H ASP A 31 13.215 -0.221 7.385 1.00 0.00 H new ATOM 0 HA ASP A 31 15.607 -1.151 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.784 -1.217 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.417 -1.354 8.462 1.00 0.00 H new ATOM 512 N ILE A 32 15.530 -3.670 6.258 1.00 0.00 N ATOM 513 CA ILE A 32 15.438 -5.149 6.191 1.00 0.00 C ATOM 514 C ILE A 32 15.684 -5.818 7.568 1.00 0.00 C ATOM 515 O ILE A 32 15.067 -6.837 7.873 1.00 0.00 O ATOM 516 CB ILE A 32 16.429 -5.740 5.116 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.247 -7.291 4.927 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.894 -5.387 5.447 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.951 -7.715 4.269 1.00 0.00 C ATOM 0 H ILE A 32 16.273 -3.279 5.679 1.00 0.00 H new ATOM 0 HA ILE A 32 14.416 -5.379 5.888 1.00 0.00 H new ATOM 0 HB ILE A 32 16.177 -5.271 4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.078 -7.668 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.313 -7.770 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.551 -5.809 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.012 -4.304 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.156 -5.798 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.924 -8.801 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.109 -7.376 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.886 -7.273 3.275 1.00 0.00 H new ATOM 531 N VAL A 33 16.577 -5.232 8.398 1.00 0.00 N ATOM 532 CA VAL A 33 16.972 -5.833 9.701 1.00 0.00 C ATOM 533 C VAL A 33 16.152 -5.252 10.873 1.00 0.00 C ATOM 534 O VAL A 33 15.885 -5.952 11.858 1.00 0.00 O ATOM 535 CB VAL A 33 18.518 -5.680 9.972 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.925 -4.221 10.275 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.021 -6.657 11.076 1.00 0.00 C ATOM 0 H VAL A 33 17.039 -4.346 8.193 1.00 0.00 H new ATOM 0 HA VAL A 33 16.749 -6.898 9.634 1.00 0.00 H new ATOM 0 HB VAL A 33 19.017 -5.959 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.999 -4.173 10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.670 -3.588 9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.394 -3.871 11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.091 -6.515 11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.493 -6.456 12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.832 -7.685 10.766 1.00 0.00 H new ATOM 547 N GLN A 34 15.748 -3.980 10.759 1.00 0.00 N ATOM 548 CA GLN A 34 14.983 -3.280 11.819 1.00 0.00 C ATOM 549 C GLN A 34 13.496 -3.683 11.733 1.00 0.00 C ATOM 550 O GLN A 34 12.804 -3.819 12.751 1.00 0.00 O ATOM 551 CB GLN A 34 15.159 -1.743 11.663 1.00 0.00 C ATOM 552 CG GLN A 34 14.598 -0.882 12.811 1.00 0.00 C ATOM 553 CD GLN A 34 14.631 0.621 12.502 1.00 0.00 C ATOM 554 OE1 GLN A 34 15.731 1.282 12.833 1.00 0.00 O flip ATOM 555 NE2 GLN A 34 13.680 1.177 11.951 1.00 0.00 N flip ATOM 0 H GLN A 34 15.937 -3.404 9.939 1.00 0.00 H new ATOM 0 HA GLN A 34 15.360 -3.568 12.800 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.222 -1.527 11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.679 -1.434 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.571 -1.183 13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.173 -1.074 13.717 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.847 0.641 11.708 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.726 2.173 11.737 1.00 0.00 H new ATOM 564 N HIS A 35 13.034 -3.891 10.491 1.00 0.00 N ATOM 565 CA HIS A 35 11.634 -4.238 10.165 1.00 0.00 C ATOM 566 C HIS A 35 11.571 -5.659 9.554 1.00 0.00 C ATOM 567 O HIS A 35 10.759 -5.909 8.656 1.00 0.00 O ATOM 568 CB HIS A 35 11.057 -3.195 9.154 1.00 0.00 C ATOM 569 CG HIS A 35 11.066 -1.758 9.618 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.935 -1.071 9.998 1.00 0.00 N ATOM 571 CD2 HIS A 35 12.077 -0.869 9.702 1.00 0.00 C ATOM 572 CE1 HIS A 35 10.255 0.177 10.282 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.550 0.321 10.114 1.00 0.00 N ATOM 0 H HIS A 35 13.631 -3.823 9.666 1.00 0.00 H new ATOM 0 HA HIS A 35 11.038 -4.220 11.077 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.627 -3.262 8.227 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.030 -3.475 8.918 1.00 0.00 H new ATOM 0 HD1 HIS A 35 8.996 -1.465 10.052 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.116 -1.064 9.483 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.569 0.949 10.599 1.00 0.00 H new ATOM 582 N THR A 36 12.429 -6.590 10.052 1.00 0.00 N ATOM 583 CA THR A 36 12.501 -7.972 9.524 1.00 0.00 C ATOM 584 C THR A 36 11.129 -8.688 9.657 1.00 0.00 C ATOM 585 O THR A 36 10.551 -8.697 10.755 1.00 0.00 O ATOM 586 CB THR A 36 13.596 -8.835 10.251 1.00 0.00 C ATOM 587 OG1 THR A 36 14.785 -8.067 10.423 1.00 0.00 O ATOM 588 CG2 THR A 36 13.958 -10.107 9.458 1.00 0.00 C ATOM 0 H THR A 36 13.078 -6.405 10.817 1.00 0.00 H new ATOM 0 HA THR A 36 12.775 -7.883 8.473 1.00 0.00 H new ATOM 0 HB THR A 36 13.178 -9.130 11.213 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.911 -7.481 9.648 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.718 -10.670 10.000 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.068 -10.724 9.335 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.344 -9.827 8.478 1.00 0.00 H new ATOM 596 N PRO A 37 10.576 -9.258 8.535 1.00 0.00 N ATOM 597 CA PRO A 37 9.348 -10.086 8.581 1.00 0.00 C ATOM 598 C PRO A 37 9.518 -11.321 9.495 1.00 0.00 C ATOM 599 O PRO A 37 10.641 -11.813 9.684 1.00 0.00 O ATOM 600 CB PRO A 37 9.137 -10.513 7.095 1.00 0.00 C ATOM 601 CG PRO A 37 9.898 -9.502 6.291 1.00 0.00 C ATOM 602 CD PRO A 37 11.087 -9.126 7.143 1.00 0.00 C ATOM 0 HA PRO A 37 8.499 -9.543 8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.510 -11.521 6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.080 -10.513 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.215 -9.918 5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.281 -8.631 6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.935 -9.787 6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.425 -8.111 6.934 1.00 0.00 H new ATOM 610 N THR A 38 8.403 -11.791 10.075 1.00 0.00 N ATOM 611 CA THR A 38 8.376 -13.037 10.856 1.00 0.00 C ATOM 612 C THR A 38 8.450 -14.248 9.915 1.00 0.00 C ATOM 613 O THR A 38 8.410 -14.095 8.692 1.00 0.00 O ATOM 614 CB THR A 38 7.087 -13.137 11.749 1.00 0.00 C ATOM 615 OG1 THR A 38 5.909 -13.204 10.927 1.00 0.00 O ATOM 616 CG2 THR A 38 6.961 -11.945 12.721 1.00 0.00 C ATOM 0 H THR A 38 7.500 -11.321 10.016 1.00 0.00 H new ATOM 0 HA THR A 38 9.242 -13.031 11.517 1.00 0.00 H new ATOM 0 HB THR A 38 7.180 -14.049 12.338 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.115 -13.268 11.498 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.056 -12.056 13.318 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.829 -11.919 13.380 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.909 -11.016 12.153 1.00 0.00 H new ATOM 624 N ILE A 39 8.545 -15.451 10.492 1.00 0.00 N ATOM 625 CA ILE A 39 8.516 -16.718 9.731 1.00 0.00 C ATOM 626 C ILE A 39 7.180 -16.840 8.972 1.00 0.00 C ATOM 627 O ILE A 39 7.138 -17.315 7.835 1.00 0.00 O ATOM 628 CB ILE A 39 8.711 -17.924 10.717 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.092 -17.803 11.436 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.554 -19.297 10.018 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.259 -18.697 12.645 1.00 0.00 C ATOM 0 H ILE A 39 8.644 -15.580 11.499 1.00 0.00 H new ATOM 0 HA ILE A 39 9.326 -16.729 9.002 1.00 0.00 H new ATOM 0 HB ILE A 39 7.917 -17.875 11.463 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.880 -18.034 10.719 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.235 -16.768 11.745 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.699 -20.095 10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.555 -19.375 9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.297 -19.389 9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.248 -18.544 13.077 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.497 -18.453 13.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.152 -19.739 12.344 1.00 0.00 H new ATOM 643 N ASN A 40 6.107 -16.354 9.627 1.00 0.00 N ATOM 644 CA ASN A 40 4.747 -16.306 9.070 1.00 0.00 C ATOM 645 C ASN A 40 4.664 -15.292 7.912 1.00 0.00 C ATOM 646 O ASN A 40 4.140 -15.617 6.849 1.00 0.00 O ATOM 647 CB ASN A 40 3.720 -15.943 10.173 1.00 0.00 C ATOM 648 CG ASN A 40 3.673 -16.946 11.326 1.00 0.00 C ATOM 649 OD1 ASN A 40 3.969 -18.129 11.154 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.288 -16.484 12.505 1.00 0.00 N ATOM 0 H ASN A 40 6.166 -15.978 10.573 1.00 0.00 H new ATOM 0 HA ASN A 40 4.507 -17.295 8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.961 -14.957 10.571 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.729 -15.872 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.230 -17.114 13.305 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.050 -15.498 12.613 1.00 0.00 H new ATOM 657 N GLU A 41 5.193 -14.069 8.132 1.00 0.00 N ATOM 658 CA GLU A 41 5.181 -12.983 7.118 1.00 0.00 C ATOM 659 C GLU A 41 5.980 -13.388 5.863 1.00 0.00 C ATOM 660 O GLU A 41 5.554 -13.132 4.734 1.00 0.00 O ATOM 661 CB GLU A 41 5.761 -11.676 7.717 1.00 0.00 C ATOM 662 CG GLU A 41 4.878 -10.971 8.766 1.00 0.00 C ATOM 663 CD GLU A 41 3.563 -10.435 8.172 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.614 -9.465 7.379 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.479 -10.983 8.467 1.00 0.00 O ATOM 0 H GLU A 41 5.639 -13.804 9.010 1.00 0.00 H new ATOM 0 HA GLU A 41 4.146 -12.810 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.724 -11.904 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.952 -10.978 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.650 -11.669 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.435 -10.145 9.208 1.00 0.00 H new ATOM 672 N PHE A 42 7.131 -14.043 6.097 1.00 0.00 N ATOM 673 CA PHE A 42 7.991 -14.571 5.029 1.00 0.00 C ATOM 674 C PHE A 42 7.236 -15.651 4.227 1.00 0.00 C ATOM 675 O PHE A 42 7.045 -15.487 3.033 1.00 0.00 O ATOM 676 CB PHE A 42 9.327 -15.133 5.597 1.00 0.00 C ATOM 677 CG PHE A 42 10.478 -14.129 5.725 1.00 0.00 C ATOM 678 CD1 PHE A 42 10.999 -13.499 4.594 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.061 -13.839 6.961 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.054 -12.613 4.692 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.120 -12.955 7.057 1.00 0.00 C ATOM 682 CZ PHE A 42 12.615 -12.340 5.923 1.00 0.00 C ATOM 0 H PHE A 42 7.490 -14.220 7.035 1.00 0.00 H new ATOM 0 HA PHE A 42 8.245 -13.749 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.130 -15.557 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.655 -15.952 4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.570 -13.708 3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.679 -14.312 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.440 -12.134 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.561 -12.745 8.020 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.440 -11.647 6.000 1.00 0.00 H new ATOM 692 N LYS A 43 6.763 -16.731 4.892 1.00 0.00 N ATOM 693 CA LYS A 43 6.084 -17.856 4.190 1.00 0.00 C ATOM 694 C LYS A 43 4.796 -17.383 3.481 1.00 0.00 C ATOM 695 O LYS A 43 4.377 -17.990 2.492 1.00 0.00 O ATOM 696 CB LYS A 43 5.779 -19.046 5.139 1.00 0.00 C ATOM 697 CG LYS A 43 4.737 -18.766 6.244 1.00 0.00 C ATOM 698 CD LYS A 43 4.410 -20.010 7.108 1.00 0.00 C ATOM 699 CE LYS A 43 5.633 -20.563 7.861 1.00 0.00 C ATOM 700 NZ LYS A 43 5.313 -21.805 8.611 1.00 0.00 N ATOM 0 H LYS A 43 6.836 -16.851 5.902 1.00 0.00 H new ATOM 0 HA LYS A 43 6.782 -18.214 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.429 -19.886 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.710 -19.358 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.108 -17.971 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.819 -18.400 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.635 -19.750 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.001 -20.792 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.435 -20.765 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.004 -19.807 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.072 -22.502 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.229 -21.587 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.414 -22.197 8.265 1.00 0.00 H new ATOM 714 N THR A 44 4.203 -16.271 3.983 1.00 0.00 N ATOM 715 CA THR A 44 3.085 -15.595 3.312 1.00 0.00 C ATOM 716 C THR A 44 3.555 -15.051 1.949 1.00 0.00 C ATOM 717 O THR A 44 3.079 -15.507 0.918 1.00 0.00 O ATOM 718 CB THR A 44 2.473 -14.438 4.185 1.00 0.00 C ATOM 719 OG1 THR A 44 1.919 -14.976 5.398 1.00 0.00 O ATOM 720 CG2 THR A 44 1.374 -13.644 3.446 1.00 0.00 C ATOM 0 H THR A 44 4.489 -15.828 4.856 1.00 0.00 H new ATOM 0 HA THR A 44 2.293 -16.329 3.163 1.00 0.00 H new ATOM 0 HB THR A 44 3.290 -13.751 4.404 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.645 -15.244 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.990 -12.860 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.793 -13.194 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.562 -14.317 3.171 1.00 0.00 H new ATOM 728 N ILE A 45 4.566 -14.146 1.953 1.00 0.00 N ATOM 729 CA ILE A 45 5.034 -13.471 0.716 1.00 0.00 C ATOM 730 C ILE A 45 5.627 -14.474 -0.300 1.00 0.00 C ATOM 731 O ILE A 45 5.588 -14.229 -1.489 1.00 0.00 O ATOM 732 CB ILE A 45 6.064 -12.301 0.994 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.455 -12.830 1.505 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.452 -11.256 1.963 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.471 -11.749 1.870 1.00 0.00 C ATOM 0 H ILE A 45 5.071 -13.868 2.795 1.00 0.00 H new ATOM 0 HA ILE A 45 4.143 -13.019 0.280 1.00 0.00 H new ATOM 0 HB ILE A 45 6.262 -11.808 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.287 -13.458 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.888 -13.467 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.174 -10.459 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.549 -10.835 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.202 -11.739 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.395 -12.218 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.677 -11.133 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.067 -11.124 2.666 1.00 0.00 H new ATOM 747 N ILE A 46 6.135 -15.613 0.193 1.00 0.00 N ATOM 748 CA ILE A 46 6.719 -16.684 -0.650 1.00 0.00 C ATOM 749 C ILE A 46 5.613 -17.533 -1.292 1.00 0.00 C ATOM 750 O ILE A 46 5.746 -17.971 -2.436 1.00 0.00 O ATOM 751 CB ILE A 46 7.707 -17.557 0.209 1.00 0.00 C ATOM 752 CG1 ILE A 46 8.881 -16.651 0.705 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.242 -18.795 -0.561 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.580 -17.156 1.935 1.00 0.00 C ATOM 0 H ILE A 46 6.156 -15.825 1.191 1.00 0.00 H new ATOM 0 HA ILE A 46 7.288 -16.233 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 46 7.157 -17.954 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.611 -16.552 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.493 -15.653 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.918 -19.359 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.406 -19.430 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.778 -18.466 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.379 -16.467 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.866 -17.227 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.002 -18.141 1.735 1.00 0.00 H new ATOM 766 N ALA A 47 4.517 -17.742 -0.553 1.00 0.00 N ATOM 767 CA ALA A 47 3.307 -18.404 -1.085 1.00 0.00 C ATOM 768 C ALA A 47 2.581 -17.493 -2.104 1.00 0.00 C ATOM 769 O ALA A 47 2.012 -17.964 -3.095 1.00 0.00 O ATOM 770 CB ALA A 47 2.364 -18.767 0.071 1.00 0.00 C ATOM 0 H ALA A 47 4.438 -17.461 0.424 1.00 0.00 H new ATOM 0 HA ALA A 47 3.608 -19.315 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.473 -19.255 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.873 -19.444 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.075 -17.861 0.603 1.00 0.00 H new ATOM 776 N ASN A 48 2.638 -16.180 -1.842 1.00 0.00 N ATOM 777 CA ASN A 48 1.894 -15.150 -2.595 1.00 0.00 C ATOM 778 C ASN A 48 2.607 -14.777 -3.913 1.00 0.00 C ATOM 779 O ASN A 48 1.949 -14.571 -4.941 1.00 0.00 O ATOM 780 CB ASN A 48 1.694 -13.891 -1.698 1.00 0.00 C ATOM 781 CG ASN A 48 0.668 -14.055 -0.553 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.525 -15.252 0.008 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 0.014 -13.093 -0.164 1.00 0.00 N flip ATOM 0 H ASN A 48 3.210 -15.794 -1.091 1.00 0.00 H new ATOM 0 HA ASN A 48 0.920 -15.559 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.656 -13.616 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.380 -13.060 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.136 -12.181 -0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.652 -13.205 0.601 1.00 0.00 H new ATOM 790 N THR A 49 3.953 -14.692 -3.880 1.00 0.00 N ATOM 791 CA THR A 49 4.766 -14.290 -5.054 1.00 0.00 C ATOM 792 C THR A 49 5.389 -15.513 -5.761 1.00 0.00 C ATOM 793 O THR A 49 5.774 -15.426 -6.935 1.00 0.00 O ATOM 794 CB THR A 49 5.904 -13.293 -4.649 1.00 0.00 C ATOM 795 OG1 THR A 49 6.880 -13.953 -3.823 1.00 0.00 O ATOM 796 CG2 THR A 49 5.353 -12.062 -3.899 1.00 0.00 C ATOM 0 H THR A 49 4.506 -14.897 -3.048 1.00 0.00 H new ATOM 0 HA THR A 49 4.086 -13.792 -5.745 1.00 0.00 H new ATOM 0 HB THR A 49 6.371 -12.950 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.470 -14.204 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.176 -11.397 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.648 -11.532 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.846 -12.387 -2.991 1.00 0.00 H new ATOM 804 N GLY A 50 5.496 -16.641 -5.029 1.00 0.00 N ATOM 805 CA GLY A 50 6.110 -17.870 -5.551 1.00 0.00 C ATOM 806 C GLY A 50 7.624 -17.752 -5.703 1.00 0.00 C ATOM 807 O GLY A 50 8.209 -18.325 -6.633 1.00 0.00 O ATOM 0 H GLY A 50 5.161 -16.721 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.879 -18.699 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.669 -18.109 -6.519 1.00 0.00 H new ATOM 811 N VAL A 51 8.261 -16.999 -4.787 1.00 0.00 N ATOM 812 CA VAL A 51 9.709 -16.718 -4.844 1.00 0.00 C ATOM 813 C VAL A 51 10.516 -17.884 -4.226 1.00 0.00 C ATOM 814 O VAL A 51 9.984 -18.648 -3.409 1.00 0.00 O ATOM 815 CB VAL A 51 10.040 -15.356 -4.116 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.784 -15.425 -2.592 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.480 -14.871 -4.409 1.00 0.00 C ATOM 0 H VAL A 51 7.790 -16.570 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 51 10.000 -16.623 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 51 9.351 -14.620 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.027 -14.464 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.735 -15.658 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.410 -16.202 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.661 -13.931 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.193 -15.620 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.602 -14.719 -5.482 1.00 0.00 H new ATOM 827 N GLU A 52 11.784 -18.039 -4.656 1.00 0.00 N ATOM 828 CA GLU A 52 12.733 -18.953 -4.013 1.00 0.00 C ATOM 829 C GLU A 52 13.025 -18.466 -2.583 1.00 0.00 C ATOM 830 O GLU A 52 13.378 -17.297 -2.377 1.00 0.00 O ATOM 831 CB GLU A 52 14.051 -19.044 -4.825 1.00 0.00 C ATOM 832 CG GLU A 52 13.897 -19.635 -6.233 1.00 0.00 C ATOM 833 CD GLU A 52 15.201 -19.600 -7.050 1.00 0.00 C ATOM 834 OE1 GLU A 52 16.139 -20.351 -6.711 1.00 0.00 O ATOM 835 OE2 GLU A 52 15.305 -18.814 -8.018 1.00 0.00 O ATOM 0 H GLU A 52 12.172 -17.535 -5.454 1.00 0.00 H new ATOM 0 HA GLU A 52 12.290 -19.948 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.479 -18.045 -4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.764 -19.651 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.554 -20.666 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.125 -19.084 -6.769 1.00 0.00 H new ATOM 842 N ILE A 53 12.855 -19.363 -1.612 1.00 0.00 N ATOM 843 CA ILE A 53 13.103 -19.070 -0.192 1.00 0.00 C ATOM 844 C ILE A 53 14.635 -18.936 0.044 1.00 0.00 C ATOM 845 O ILE A 53 15.085 -18.159 0.893 1.00 0.00 O ATOM 846 CB ILE A 53 12.419 -20.179 0.723 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.121 -19.679 2.178 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.217 -21.503 0.727 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.301 -19.530 3.112 1.00 0.00 C ATOM 0 H ILE A 53 12.540 -20.318 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 53 12.649 -18.119 0.089 1.00 0.00 H new ATOM 0 HB ILE A 53 11.451 -20.383 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.622 -18.713 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.414 -20.371 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.713 -22.230 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.280 -21.893 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.222 -21.321 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.954 -19.178 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.795 -20.494 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.006 -18.810 2.696 1.00 0.00 H new ATOM 861 N ASN A 54 15.432 -19.665 -0.769 1.00 0.00 N ATOM 862 CA ASN A 54 16.903 -19.666 -0.664 1.00 0.00 C ATOM 863 C ASN A 54 17.515 -18.368 -1.237 1.00 0.00 C ATOM 864 O ASN A 54 18.548 -17.906 -0.735 1.00 0.00 O ATOM 865 CB ASN A 54 17.499 -20.918 -1.370 1.00 0.00 C ATOM 866 CG ASN A 54 19.018 -21.052 -1.175 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.486 -21.678 -0.224 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.792 -20.460 -2.076 1.00 0.00 N ATOM 0 H ASN A 54 15.073 -20.265 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 54 17.161 -19.709 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.009 -21.813 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.278 -20.866 -2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.807 -20.516 -1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.372 -19.949 -2.852 1.00 0.00 H new ATOM 875 N LYS A 55 16.877 -17.768 -2.280 1.00 0.00 N ATOM 876 CA LYS A 55 17.388 -16.509 -2.879 1.00 0.00 C ATOM 877 C LYS A 55 17.192 -15.311 -1.928 1.00 0.00 C ATOM 878 O LYS A 55 17.781 -14.246 -2.149 1.00 0.00 O ATOM 879 CB LYS A 55 16.753 -16.171 -4.265 1.00 0.00 C ATOM 880 CG LYS A 55 15.315 -15.587 -4.235 1.00 0.00 C ATOM 881 CD LYS A 55 14.920 -14.863 -5.552 1.00 0.00 C ATOM 882 CE LYS A 55 14.979 -15.756 -6.798 1.00 0.00 C ATOM 883 NZ LYS A 55 14.476 -15.056 -8.009 1.00 0.00 N ATOM 0 H LYS A 55 16.027 -18.128 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 55 18.452 -16.685 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.402 -15.459 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.742 -17.079 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.606 -16.393 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.232 -14.887 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.909 -14.468 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.582 -14.010 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.007 -16.077 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.388 -16.656 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.533 -15.694 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.487 -14.772 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.056 -14.211 -8.188 1.00 0.00 H new ATOM 897 N LEU A 56 16.338 -15.481 -0.891 1.00 0.00 N ATOM 898 CA LEU A 56 16.125 -14.446 0.133 1.00 0.00 C ATOM 899 C LEU A 56 17.375 -14.310 1.022 1.00 0.00 C ATOM 900 O LEU A 56 17.602 -13.259 1.598 1.00 0.00 O ATOM 901 CB LEU A 56 14.876 -14.758 0.992 1.00 0.00 C ATOM 902 CG LEU A 56 13.530 -14.943 0.222 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.357 -15.108 1.204 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.262 -13.785 -0.762 1.00 0.00 C ATOM 0 H LEU A 56 15.788 -16.328 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 56 15.951 -13.497 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.071 -15.667 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.748 -13.951 1.714 1.00 0.00 H new ATOM 0 HG LEU A 56 13.619 -15.855 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.430 -15.235 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.527 -15.984 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.282 -14.221 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.316 -13.955 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.213 -12.845 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.068 -13.736 -1.494 1.00 0.00 H new ATOM 916 N PHE A 57 18.179 -15.389 1.119 1.00 0.00 N ATOM 917 CA PHE A 57 19.487 -15.364 1.799 1.00 0.00 C ATOM 918 C PHE A 57 20.510 -14.526 1.006 1.00 0.00 C ATOM 919 O PHE A 57 20.339 -14.301 -0.192 1.00 0.00 O ATOM 920 CB PHE A 57 20.043 -16.798 1.986 1.00 0.00 C ATOM 921 CG PHE A 57 19.350 -17.597 3.078 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.210 -18.346 2.809 1.00 0.00 C ATOM 923 CD2 PHE A 57 19.845 -17.587 4.384 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.587 -19.061 3.810 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.221 -18.303 5.383 1.00 0.00 C ATOM 926 CZ PHE A 57 18.094 -19.040 5.096 1.00 0.00 C ATOM 0 H PHE A 57 17.939 -16.300 0.728 1.00 0.00 H new ATOM 0 HA PHE A 57 19.332 -14.908 2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 57 19.951 -17.337 1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.107 -16.736 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.809 -18.368 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.729 -17.010 4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.701 -19.638 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.615 -18.286 6.388 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.605 -19.603 5.877 1.00 0.00 H new ATOM 936 N ASN A 58 21.593 -14.128 1.708 1.00 0.00 N ATOM 937 CA ASN A 58 22.748 -13.383 1.143 1.00 0.00 C ATOM 938 C ASN A 58 23.292 -14.068 -0.149 1.00 0.00 C ATOM 939 O ASN A 58 23.679 -13.379 -1.104 1.00 0.00 O ATOM 940 CB ASN A 58 23.860 -13.273 2.240 1.00 0.00 C ATOM 941 CG ASN A 58 25.175 -12.599 1.785 1.00 0.00 C ATOM 942 OD1 ASN A 58 26.264 -12.990 2.220 1.00 0.00 O ATOM 943 ND2 ASN A 58 25.097 -11.550 0.967 1.00 0.00 N ATOM 0 H ASN A 58 21.695 -14.318 2.705 1.00 0.00 H new ATOM 0 HA ASN A 58 22.425 -12.383 0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 58 23.459 -12.714 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 58 24.091 -14.275 2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.945 -11.055 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 58 24.189 -11.242 0.618 1.00 0.00 H new ATOM 950 N THR A 59 23.277 -15.425 -0.136 1.00 0.00 N ATOM 951 CA THR A 59 23.636 -16.307 -1.277 1.00 0.00 C ATOM 952 C THR A 59 25.146 -16.226 -1.628 1.00 0.00 C ATOM 953 O THR A 59 25.883 -17.197 -1.440 1.00 0.00 O ATOM 954 CB THR A 59 22.728 -16.060 -2.539 1.00 0.00 C ATOM 955 OG1 THR A 59 21.338 -16.196 -2.170 1.00 0.00 O ATOM 956 CG2 THR A 59 23.033 -17.038 -3.692 1.00 0.00 C ATOM 0 H THR A 59 23.006 -15.952 0.694 1.00 0.00 H new ATOM 0 HA THR A 59 23.440 -17.327 -0.947 1.00 0.00 H new ATOM 0 HB THR A 59 22.942 -15.051 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 59 21.104 -15.506 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 59 22.378 -16.822 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 59 24.072 -16.924 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.865 -18.061 -3.355 1.00 0.00 H new ATOM 964 N HIS A 60 25.598 -15.076 -2.154 1.00 0.00 N ATOM 965 CA HIS A 60 27.024 -14.812 -2.429 1.00 0.00 C ATOM 966 C HIS A 60 27.386 -13.422 -1.890 1.00 0.00 C ATOM 967 O HIS A 60 26.847 -12.409 -2.341 1.00 0.00 O ATOM 968 CB HIS A 60 27.333 -14.927 -3.945 1.00 0.00 C ATOM 969 CG HIS A 60 27.130 -16.314 -4.501 1.00 0.00 C ATOM 970 ND1 HIS A 60 26.166 -16.624 -5.430 1.00 0.00 N ATOM 971 CD2 HIS A 60 27.755 -17.483 -4.216 1.00 0.00 C ATOM 972 CE1 HIS A 60 26.205 -17.912 -5.695 1.00 0.00 C ATOM 973 NE2 HIS A 60 27.161 -18.460 -4.971 1.00 0.00 N ATOM 0 H HIS A 60 24.985 -14.300 -2.402 1.00 0.00 H new ATOM 0 HA HIS A 60 27.634 -15.562 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 60 26.697 -14.230 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.365 -14.622 -4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 60 28.571 -17.619 -3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 60 25.562 -18.433 -6.389 1.00 0.00 H new ATOM 0 HE2 HIS A 60 27.416 -19.448 -4.973 1.00 0.00 H new ATOM 982 N GLY A 61 28.287 -13.394 -0.902 1.00 0.00 N ATOM 983 CA GLY A 61 28.708 -12.162 -0.255 1.00 0.00 C ATOM 984 C GLY A 61 29.758 -12.416 0.808 1.00 0.00 C ATOM 985 O GLY A 61 30.820 -12.963 0.502 1.00 0.00 O ATOM 0 H GLY A 61 28.741 -14.230 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 61 29.106 -11.476 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 27.844 -11.675 0.197 1.00 0.00 H new ATOM 989 N ALA A 62 29.458 -12.031 2.059 1.00 0.00 N ATOM 990 CA ALA A 62 30.395 -12.155 3.193 1.00 0.00 C ATOM 991 C ALA A 62 29.954 -13.268 4.159 1.00 0.00 C ATOM 992 O ALA A 62 30.662 -14.266 4.335 1.00 0.00 O ATOM 993 CB ALA A 62 30.514 -10.802 3.923 1.00 0.00 C ATOM 0 H ALA A 62 28.558 -11.624 2.315 1.00 0.00 H new ATOM 0 HA ALA A 62 31.376 -12.431 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 31.207 -10.899 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 62 30.885 -10.046 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 62 29.535 -10.503 4.296 1.00 0.00 H new ATOM 999 N LYS A 63 28.758 -13.104 4.762 1.00 0.00 N ATOM 1000 CA LYS A 63 28.313 -13.950 5.887 1.00 0.00 C ATOM 1001 C LYS A 63 27.826 -15.337 5.440 1.00 0.00 C ATOM 1002 O LYS A 63 28.019 -16.290 6.165 1.00 0.00 O ATOM 1003 CB LYS A 63 27.204 -13.272 6.712 1.00 0.00 C ATOM 1004 CG LYS A 63 27.556 -11.870 7.267 1.00 0.00 C ATOM 1005 CD LYS A 63 26.426 -11.304 8.158 1.00 0.00 C ATOM 1006 CE LYS A 63 25.084 -11.214 7.414 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.119 -10.215 6.316 1.00 0.00 N ATOM 0 H LYS A 63 28.082 -12.391 4.487 1.00 0.00 H new ATOM 0 HA LYS A 63 29.198 -14.083 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.313 -13.185 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.947 -13.922 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.479 -11.929 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.742 -11.187 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.309 -11.937 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.709 -10.313 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.830 -12.192 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.296 -10.949 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.179 -10.151 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.385 -9.286 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.817 -10.507 5.603 1.00 0.00 H new ATOM 1021 N TYR A 64 27.203 -15.449 4.254 1.00 0.00 N ATOM 1022 CA TYR A 64 26.631 -16.742 3.774 1.00 0.00 C ATOM 1023 C TYR A 64 27.727 -17.827 3.659 1.00 0.00 C ATOM 1024 O TYR A 64 27.465 -19.011 3.871 1.00 0.00 O ATOM 1025 CB TYR A 64 25.913 -16.550 2.413 1.00 0.00 C ATOM 1026 CG TYR A 64 25.062 -17.752 1.946 1.00 0.00 C ATOM 1027 CD1 TYR A 64 25.606 -18.784 1.171 1.00 0.00 C ATOM 1028 CD2 TYR A 64 23.707 -17.844 2.271 1.00 0.00 C ATOM 1029 CE1 TYR A 64 24.834 -19.848 0.744 1.00 0.00 C ATOM 1030 CE2 TYR A 64 22.936 -18.907 1.840 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.503 -19.905 1.079 1.00 0.00 C ATOM 1032 OH TYR A 64 22.726 -20.961 0.641 1.00 0.00 O ATOM 0 H TYR A 64 27.078 -14.671 3.606 1.00 0.00 H new ATOM 0 HA TYR A 64 25.899 -17.078 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.269 -15.673 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.663 -16.338 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 64 26.651 -18.748 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 64 23.253 -17.069 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 64 25.276 -20.633 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 64 21.889 -18.955 2.100 1.00 0.00 H new ATOM 0 HH TYR A 64 21.907 -20.615 0.228 1.00 0.00 H new ATOM 1042 N ARG A 65 28.958 -17.382 3.359 1.00 0.00 N ATOM 1043 CA ARG A 65 30.125 -18.272 3.204 1.00 0.00 C ATOM 1044 C ARG A 65 30.938 -18.329 4.516 1.00 0.00 C ATOM 1045 O ARG A 65 31.602 -19.334 4.797 1.00 0.00 O ATOM 1046 CB ARG A 65 31.015 -17.815 2.011 1.00 0.00 C ATOM 1047 CG ARG A 65 31.534 -16.362 2.094 1.00 0.00 C ATOM 1048 CD ARG A 65 32.549 -16.024 0.984 1.00 0.00 C ATOM 1049 NE ARG A 65 33.073 -14.650 1.100 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.034 -14.253 1.952 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.569 -15.103 2.831 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.460 -12.997 1.915 1.00 0.00 N ATOM 0 H ARG A 65 29.174 -16.395 3.217 1.00 0.00 H new ATOM 0 HA ARG A 65 29.766 -19.277 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.871 -18.486 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.444 -17.928 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 65 30.690 -15.676 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 65 32.000 -16.203 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.378 -16.731 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.074 -16.148 0.011 1.00 0.00 H new ATOM 0 HE ARG A 65 32.673 -13.943 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.250 -16.071 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 65 35.297 -14.784 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.059 -12.342 1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.189 -12.687 2.558 1.00 0.00 H new ATOM 1066 N GLU A 66 30.870 -17.237 5.308 1.00 0.00 N ATOM 1067 CA GLU A 66 31.484 -17.162 6.657 1.00 0.00 C ATOM 1068 C GLU A 66 30.865 -18.237 7.572 1.00 0.00 C ATOM 1069 O GLU A 66 31.568 -18.945 8.298 1.00 0.00 O ATOM 1070 CB GLU A 66 31.252 -15.749 7.259 1.00 0.00 C ATOM 1071 CG GLU A 66 31.846 -15.508 8.667 1.00 0.00 C ATOM 1072 CD GLU A 66 33.384 -15.446 8.689 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.947 -14.383 8.339 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.034 -16.447 9.056 1.00 0.00 O ATOM 0 H GLU A 66 30.388 -16.381 5.033 1.00 0.00 H new ATOM 0 HA GLU A 66 32.556 -17.342 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.674 -15.011 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.178 -15.566 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.448 -14.574 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.514 -16.305 9.333 1.00 0.00 H new ATOM 1081 N LEU A 67 29.534 -18.351 7.486 1.00 0.00 N ATOM 1082 CA LEU A 67 28.728 -19.292 8.277 1.00 0.00 C ATOM 1083 C LEU A 67 28.530 -20.620 7.518 1.00 0.00 C ATOM 1084 O LEU A 67 27.980 -21.572 8.077 1.00 0.00 O ATOM 1085 CB LEU A 67 27.342 -18.667 8.586 1.00 0.00 C ATOM 1086 CG LEU A 67 27.325 -17.174 9.047 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.879 -16.696 9.292 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.222 -16.930 10.280 1.00 0.00 C ATOM 0 H LEU A 67 28.975 -17.780 6.852 1.00 0.00 H new ATOM 0 HA LEU A 67 29.258 -19.496 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.725 -18.753 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.865 -19.267 9.361 1.00 0.00 H new ATOM 0 HG LEU A 67 27.747 -16.578 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.890 -15.654 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.305 -16.786 8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.420 -17.309 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.176 -15.878 10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.873 -17.543 11.111 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.251 -17.197 10.040 1.00 0.00 H new ATOM 1100 N ASP A 68 28.963 -20.628 6.226 1.00 0.00 N ATOM 1101 CA ASP A 68 28.819 -21.752 5.253 1.00 0.00 C ATOM 1102 C ASP A 68 27.381 -22.315 5.215 1.00 0.00 C ATOM 1103 O ASP A 68 27.178 -23.528 5.092 1.00 0.00 O ATOM 1104 CB ASP A 68 29.917 -22.865 5.442 1.00 0.00 C ATOM 1105 CG ASP A 68 29.910 -23.621 6.793 1.00 0.00 C ATOM 1106 OD1 ASP A 68 29.126 -24.585 6.953 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.700 -23.264 7.694 1.00 0.00 O ATOM 0 H ASP A 68 29.439 -19.824 5.818 1.00 0.00 H new ATOM 0 HA ASP A 68 29.001 -21.330 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 68 29.803 -23.596 4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 30.896 -22.403 5.315 1.00 0.00 H new ATOM 1112 N LEU A 69 26.385 -21.378 5.247 1.00 0.00 N ATOM 1113 CA LEU A 69 24.941 -21.702 5.374 1.00 0.00 C ATOM 1114 C LEU A 69 24.467 -22.750 4.356 1.00 0.00 C ATOM 1115 O LEU A 69 23.621 -23.554 4.685 1.00 0.00 O ATOM 1116 CB LEU A 69 24.036 -20.449 5.248 1.00 0.00 C ATOM 1117 CG LEU A 69 24.184 -19.367 6.357 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.169 -18.228 6.140 1.00 0.00 C ATOM 1119 CD2 LEU A 69 24.020 -19.982 7.760 1.00 0.00 C ATOM 0 H LEU A 69 26.569 -20.377 5.185 1.00 0.00 H new ATOM 0 HA LEU A 69 24.844 -22.118 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.237 -19.979 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.997 -20.779 5.231 1.00 0.00 H new ATOM 0 HG LEU A 69 25.190 -18.952 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.287 -17.481 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.344 -17.765 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.157 -18.631 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.128 -19.202 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 69 23.032 -20.435 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.783 -20.745 7.914 1.00 0.00 H new ATOM 1131 N LYS A 70 25.029 -22.724 3.136 1.00 0.00 N ATOM 1132 CA LYS A 70 24.664 -23.664 2.039 1.00 0.00 C ATOM 1133 C LYS A 70 24.644 -25.139 2.530 1.00 0.00 C ATOM 1134 O LYS A 70 23.689 -25.897 2.252 1.00 0.00 O ATOM 1135 CB LYS A 70 25.676 -23.490 0.872 1.00 0.00 C ATOM 1136 CG LYS A 70 25.335 -24.260 -0.424 1.00 0.00 C ATOM 1137 CD LYS A 70 23.953 -23.872 -0.992 1.00 0.00 C ATOM 1138 CE LYS A 70 23.607 -24.615 -2.292 1.00 0.00 C ATOM 1139 NZ LYS A 70 22.195 -24.393 -2.701 1.00 0.00 N ATOM 0 H LYS A 70 25.751 -22.053 2.873 1.00 0.00 H new ATOM 0 HA LYS A 70 23.657 -23.429 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.751 -22.429 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.659 -23.810 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.101 -24.062 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.355 -25.331 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.187 -24.082 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.931 -22.798 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.272 -24.281 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.782 -25.682 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.003 -24.911 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.559 -24.735 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.034 -23.377 -2.855 1.00 0.00 H new ATOM 1153 N ASN A 71 25.674 -25.481 3.333 1.00 0.00 N ATOM 1154 CA ASN A 71 25.875 -26.828 3.896 1.00 0.00 C ATOM 1155 C ASN A 71 24.712 -27.250 4.826 1.00 0.00 C ATOM 1156 O ASN A 71 24.309 -28.421 4.818 1.00 0.00 O ATOM 1157 CB ASN A 71 27.230 -26.903 4.671 1.00 0.00 C ATOM 1158 CG ASN A 71 28.462 -26.621 3.801 1.00 0.00 C ATOM 1159 OD1 ASN A 71 28.454 -26.844 2.590 1.00 0.00 O ATOM 1160 ND2 ASN A 71 29.543 -26.158 4.419 1.00 0.00 N ATOM 0 H ASN A 71 26.398 -24.818 3.611 1.00 0.00 H new ATOM 0 HA ASN A 71 25.899 -27.524 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 71 27.207 -26.188 5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.329 -27.894 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.396 -25.978 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.520 -25.983 5.424 1.00 0.00 H new ATOM 1167 N LYS A 72 24.177 -26.297 5.619 1.00 0.00 N ATOM 1168 CA LYS A 72 23.055 -26.585 6.540 1.00 0.00 C ATOM 1169 C LYS A 72 21.701 -26.452 5.819 1.00 0.00 C ATOM 1170 O LYS A 72 20.790 -27.205 6.113 1.00 0.00 O ATOM 1171 CB LYS A 72 23.097 -25.678 7.809 1.00 0.00 C ATOM 1172 CG LYS A 72 22.775 -24.189 7.587 1.00 0.00 C ATOM 1173 CD LYS A 72 22.936 -23.356 8.881 1.00 0.00 C ATOM 1174 CE LYS A 72 21.859 -23.661 9.932 1.00 0.00 C ATOM 1175 NZ LYS A 72 22.123 -22.989 11.228 1.00 0.00 N ATOM 0 H LYS A 72 24.500 -25.330 5.641 1.00 0.00 H new ATOM 0 HA LYS A 72 23.168 -27.617 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.393 -26.076 8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 72 24.090 -25.752 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.432 -23.788 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.754 -24.091 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.919 -23.549 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.900 -22.296 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.887 -23.344 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.804 -24.738 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.368 -23.227 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.038 -23.309 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.149 -21.959 11.086 1.00 0.00 H new ATOM 1189 N LEU A 73 21.587 -25.527 4.846 1.00 0.00 N ATOM 1190 CA LEU A 73 20.297 -25.200 4.194 1.00 0.00 C ATOM 1191 C LEU A 73 19.823 -26.350 3.303 1.00 0.00 C ATOM 1192 O LEU A 73 18.616 -26.573 3.163 1.00 0.00 O ATOM 1193 CB LEU A 73 20.379 -23.877 3.384 1.00 0.00 C ATOM 1194 CG LEU A 73 20.688 -22.586 4.207 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.700 -21.333 3.310 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.719 -22.420 5.386 1.00 0.00 C ATOM 0 H LEU A 73 22.377 -24.988 4.490 1.00 0.00 H new ATOM 0 HA LEU A 73 19.564 -25.056 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.148 -23.989 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.432 -23.734 2.864 1.00 0.00 H new ATOM 0 HG LEU A 73 21.689 -22.701 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.918 -20.454 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.465 -21.443 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.725 -21.215 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.966 -21.511 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.698 -22.352 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.804 -23.279 6.051 1.00 0.00 H new ATOM 1208 N GLN A 74 20.783 -27.089 2.721 1.00 0.00 N ATOM 1209 CA GLN A 74 20.475 -28.257 1.872 1.00 0.00 C ATOM 1210 C GLN A 74 19.911 -29.447 2.697 1.00 0.00 C ATOM 1211 O GLN A 74 19.315 -30.367 2.118 1.00 0.00 O ATOM 1212 CB GLN A 74 21.733 -28.660 1.036 1.00 0.00 C ATOM 1213 CG GLN A 74 22.954 -29.187 1.848 1.00 0.00 C ATOM 1214 CD GLN A 74 22.896 -30.679 2.227 1.00 0.00 C ATOM 1215 OE1 GLN A 74 22.356 -31.512 1.346 1.00 0.00 O flip ATOM 1216 NE2 GLN A 74 23.352 -31.077 3.292 1.00 0.00 N flip ATOM 0 H GLN A 74 21.780 -26.899 2.822 1.00 0.00 H new ATOM 0 HA GLN A 74 19.684 -27.974 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 74 21.438 -29.428 0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.053 -27.793 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.859 -29.011 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.043 -28.600 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 74 23.761 -30.415 3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 74 23.322 -32.071 3.520 1.00 0.00 H new ATOM 1225 N THR A 75 20.095 -29.434 4.043 1.00 0.00 N ATOM 1226 CA THR A 75 19.652 -30.549 4.910 1.00 0.00 C ATOM 1227 C THR A 75 18.447 -30.164 5.800 1.00 0.00 C ATOM 1228 O THR A 75 17.593 -31.023 6.079 1.00 0.00 O ATOM 1229 CB THR A 75 20.832 -31.144 5.768 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.382 -32.293 6.502 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.463 -30.141 6.746 1.00 0.00 C ATOM 0 H THR A 75 20.544 -28.668 4.545 1.00 0.00 H new ATOM 0 HA THR A 75 19.313 -31.336 4.237 1.00 0.00 H new ATOM 0 HB THR A 75 21.606 -31.418 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.124 -32.655 7.030 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.267 -30.628 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.866 -29.295 6.190 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.705 -29.788 7.445 1.00 0.00 H new ATOM 1239 N LEU A 76 18.348 -28.882 6.235 1.00 0.00 N ATOM 1240 CA LEU A 76 17.218 -28.431 7.085 1.00 0.00 C ATOM 1241 C LEU A 76 15.991 -28.035 6.241 1.00 0.00 C ATOM 1242 O LEU A 76 16.087 -27.862 5.016 1.00 0.00 O ATOM 1243 CB LEU A 76 17.641 -27.306 8.105 1.00 0.00 C ATOM 1244 CG LEU A 76 18.344 -26.005 7.589 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.461 -25.143 6.678 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.873 -25.165 8.770 1.00 0.00 C ATOM 0 H LEU A 76 19.026 -28.153 6.015 1.00 0.00 H new ATOM 0 HA LEU A 76 16.919 -29.286 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.742 -26.999 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.306 -27.765 8.837 1.00 0.00 H new ATOM 0 HG LEU A 76 19.179 -26.343 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.017 -24.261 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.169 -25.721 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.569 -24.834 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.358 -24.266 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.042 -24.883 9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.594 -25.752 9.340 1.00 0.00 H new ATOM 1258 N SER A 77 14.850 -27.886 6.935 1.00 0.00 N ATOM 1259 CA SER A 77 13.548 -27.545 6.339 1.00 0.00 C ATOM 1260 C SER A 77 13.530 -26.099 5.804 1.00 0.00 C ATOM 1261 O SER A 77 14.337 -25.262 6.225 1.00 0.00 O ATOM 1262 CB SER A 77 12.443 -27.715 7.411 1.00 0.00 C ATOM 1263 OG SER A 77 12.495 -29.002 8.011 1.00 0.00 O ATOM 0 H SER A 77 14.807 -28.002 7.947 1.00 0.00 H new ATOM 0 HA SER A 77 13.369 -28.214 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.558 -26.949 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.465 -27.564 6.954 1.00 0.00 H new ATOM 0 HG SER A 77 13.160 -29.001 8.731 1.00 0.00 H new ATOM 1269 N ASP A 78 12.588 -25.803 4.895 1.00 0.00 N ATOM 1270 CA ASP A 78 12.389 -24.436 4.382 1.00 0.00 C ATOM 1271 C ASP A 78 11.884 -23.509 5.501 1.00 0.00 C ATOM 1272 O ASP A 78 12.124 -22.308 5.452 1.00 0.00 O ATOM 1273 CB ASP A 78 11.420 -24.435 3.182 1.00 0.00 C ATOM 1274 CG ASP A 78 11.925 -25.324 2.032 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.922 -24.951 1.369 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.373 -26.429 1.826 1.00 0.00 O ATOM 0 H ASP A 78 11.950 -26.493 4.499 1.00 0.00 H new ATOM 0 HA ASP A 78 13.350 -24.057 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.440 -24.785 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.291 -23.415 2.821 1.00 0.00 H new ATOM 1281 N ASP A 79 11.216 -24.100 6.520 1.00 0.00 N ATOM 1282 CA ASP A 79 10.766 -23.380 7.730 1.00 0.00 C ATOM 1283 C ASP A 79 11.958 -22.947 8.597 1.00 0.00 C ATOM 1284 O ASP A 79 11.922 -21.887 9.223 1.00 0.00 O ATOM 1285 CB ASP A 79 9.782 -24.252 8.564 1.00 0.00 C ATOM 1286 CG ASP A 79 8.374 -24.345 7.940 1.00 0.00 C ATOM 1287 OD1 ASP A 79 7.667 -23.316 7.906 1.00 0.00 O ATOM 1288 OD2 ASP A 79 7.970 -25.434 7.482 1.00 0.00 O ATOM 0 H ASP A 79 10.975 -25.091 6.524 1.00 0.00 H new ATOM 0 HA ASP A 79 10.241 -22.484 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.194 -25.256 8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.701 -23.837 9.568 1.00 0.00 H new ATOM 1293 N GLU A 80 13.017 -23.770 8.608 1.00 0.00 N ATOM 1294 CA GLU A 80 14.251 -23.486 9.368 1.00 0.00 C ATOM 1295 C GLU A 80 15.101 -22.429 8.632 1.00 0.00 C ATOM 1296 O GLU A 80 15.817 -21.630 9.264 1.00 0.00 O ATOM 1297 CB GLU A 80 15.023 -24.806 9.621 1.00 0.00 C ATOM 1298 CG GLU A 80 14.216 -25.844 10.436 1.00 0.00 C ATOM 1299 CD GLU A 80 14.981 -27.152 10.715 1.00 0.00 C ATOM 1300 OE1 GLU A 80 15.779 -27.195 11.672 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.792 -28.144 9.979 1.00 0.00 O ATOM 0 H GLU A 80 13.046 -24.650 8.093 1.00 0.00 H new ATOM 0 HA GLU A 80 14.000 -23.064 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.301 -25.245 8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.949 -24.581 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.923 -25.397 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.298 -26.080 9.898 1.00 0.00 H new ATOM 1308 N LYS A 81 14.972 -22.402 7.294 1.00 0.00 N ATOM 1309 CA LYS A 81 15.525 -21.320 6.462 1.00 0.00 C ATOM 1310 C LYS A 81 14.828 -19.983 6.825 1.00 0.00 C ATOM 1311 O LYS A 81 15.487 -18.956 7.030 1.00 0.00 O ATOM 1312 CB LYS A 81 15.320 -21.625 4.960 1.00 0.00 C ATOM 1313 CG LYS A 81 16.008 -22.888 4.414 1.00 0.00 C ATOM 1314 CD LYS A 81 15.792 -23.060 2.888 1.00 0.00 C ATOM 1315 CE LYS A 81 16.426 -24.343 2.332 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.842 -25.572 2.939 1.00 0.00 N ATOM 0 H LYS A 81 14.485 -23.124 6.763 1.00 0.00 H new ATOM 0 HA LYS A 81 16.595 -21.242 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.250 -21.712 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.675 -20.769 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.076 -22.837 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.622 -23.764 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.723 -23.069 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.212 -22.199 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.289 -24.374 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.500 -24.324 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.584 -26.094 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.087 -25.306 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.447 -26.175 2.190 1.00 0.00 H new ATOM 1330 N LEU A 82 13.480 -20.045 6.921 1.00 0.00 N ATOM 1331 CA LEU A 82 12.619 -18.912 7.324 1.00 0.00 C ATOM 1332 C LEU A 82 13.023 -18.374 8.710 1.00 0.00 C ATOM 1333 O LEU A 82 13.010 -17.160 8.928 1.00 0.00 O ATOM 1334 CB LEU A 82 11.132 -19.353 7.350 1.00 0.00 C ATOM 1335 CG LEU A 82 10.478 -19.684 5.970 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.099 -20.361 6.135 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.355 -18.422 5.118 1.00 0.00 C ATOM 0 H LEU A 82 12.954 -20.895 6.718 1.00 0.00 H new ATOM 0 HA LEU A 82 12.749 -18.115 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.049 -20.234 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.550 -18.562 7.822 1.00 0.00 H new ATOM 0 HG LEU A 82 11.132 -20.391 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.679 -20.574 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.215 -21.292 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.429 -19.695 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.897 -18.672 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.734 -17.692 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.346 -18.000 4.947 1.00 0.00 H new ATOM 1349 N GLU A 83 13.374 -19.301 9.638 1.00 0.00 N ATOM 1350 CA GLU A 83 13.859 -18.941 10.987 1.00 0.00 C ATOM 1351 C GLU A 83 15.124 -18.075 10.888 1.00 0.00 C ATOM 1352 O GLU A 83 15.167 -16.999 11.463 1.00 0.00 O ATOM 1353 CB GLU A 83 14.176 -20.192 11.853 1.00 0.00 C ATOM 1354 CG GLU A 83 12.986 -21.115 12.163 1.00 0.00 C ATOM 1355 CD GLU A 83 13.355 -22.298 13.084 1.00 0.00 C ATOM 1356 OE1 GLU A 83 14.329 -23.023 12.778 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.691 -22.496 14.125 1.00 0.00 O ATOM 0 H GLU A 83 13.328 -20.306 9.471 1.00 0.00 H new ATOM 0 HA GLU A 83 13.056 -18.384 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.942 -20.777 11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.606 -19.857 12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.195 -20.531 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.583 -21.504 11.228 1.00 0.00 H new ATOM 1364 N LEU A 84 16.130 -18.561 10.134 1.00 0.00 N ATOM 1365 CA LEU A 84 17.427 -17.856 9.948 1.00 0.00 C ATOM 1366 C LEU A 84 17.242 -16.424 9.406 1.00 0.00 C ATOM 1367 O LEU A 84 17.876 -15.474 9.893 1.00 0.00 O ATOM 1368 CB LEU A 84 18.330 -18.686 9.010 1.00 0.00 C ATOM 1369 CG LEU A 84 18.907 -19.989 9.641 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.492 -20.929 8.575 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.959 -19.644 10.719 1.00 0.00 C ATOM 0 H LEU A 84 16.073 -19.449 9.636 1.00 0.00 H new ATOM 0 HA LEU A 84 17.903 -17.759 10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.759 -18.952 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.160 -18.061 8.681 1.00 0.00 H new ATOM 0 HG LEU A 84 18.084 -20.522 10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.884 -21.825 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.711 -21.208 7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.297 -20.421 8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.353 -20.564 11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.773 -19.079 10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.494 -19.046 11.503 1.00 0.00 H new ATOM 1383 N LEU A 85 16.345 -16.290 8.422 1.00 0.00 N ATOM 1384 CA LEU A 85 16.015 -14.991 7.813 1.00 0.00 C ATOM 1385 C LEU A 85 15.356 -14.050 8.855 1.00 0.00 C ATOM 1386 O LEU A 85 15.705 -12.875 8.948 1.00 0.00 O ATOM 1387 CB LEU A 85 15.062 -15.204 6.610 1.00 0.00 C ATOM 1388 CG LEU A 85 15.643 -16.009 5.407 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.558 -16.302 4.353 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.853 -15.283 4.780 1.00 0.00 C ATOM 0 H LEU A 85 15.828 -17.074 8.025 1.00 0.00 H new ATOM 0 HA LEU A 85 16.936 -14.524 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.169 -15.717 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.744 -14.227 6.247 1.00 0.00 H new ATOM 0 HG LEU A 85 15.995 -16.966 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.995 -16.864 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.758 -16.887 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.152 -15.363 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.236 -15.869 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.543 -14.301 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.636 -15.166 5.530 1.00 0.00 H new ATOM 1402 N SER A 86 14.419 -14.606 9.650 1.00 0.00 N ATOM 1403 CA SER A 86 13.686 -13.856 10.695 1.00 0.00 C ATOM 1404 C SER A 86 14.597 -13.522 11.897 1.00 0.00 C ATOM 1405 O SER A 86 14.334 -12.569 12.637 1.00 0.00 O ATOM 1406 CB SER A 86 12.463 -14.679 11.157 1.00 0.00 C ATOM 1407 OG SER A 86 11.591 -14.957 10.076 1.00 0.00 O ATOM 0 H SER A 86 14.148 -15.587 9.587 1.00 0.00 H new ATOM 0 HA SER A 86 13.349 -12.911 10.269 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.800 -15.614 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.924 -14.131 11.930 1.00 0.00 H new ATOM 0 HG SER A 86 11.933 -15.722 9.568 1.00 0.00 H new ATOM 1413 N SER A 87 15.666 -14.322 12.074 1.00 0.00 N ATOM 1414 CA SER A 87 16.645 -14.145 13.156 1.00 0.00 C ATOM 1415 C SER A 87 17.637 -13.029 12.805 1.00 0.00 C ATOM 1416 O SER A 87 18.112 -12.308 13.695 1.00 0.00 O ATOM 1417 CB SER A 87 17.401 -15.470 13.423 1.00 0.00 C ATOM 1418 OG SER A 87 16.506 -16.498 13.825 1.00 0.00 O ATOM 0 H SER A 87 15.873 -15.113 11.465 1.00 0.00 H new ATOM 0 HA SER A 87 16.109 -13.861 14.062 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.932 -15.777 12.522 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.152 -15.314 14.197 1.00 0.00 H new ATOM 0 HG SER A 87 15.958 -16.772 13.060 1.00 0.00 H new ATOM 1424 N ASP A 88 17.950 -12.884 11.499 1.00 0.00 N ATOM 1425 CA ASP A 88 18.925 -11.891 11.035 1.00 0.00 C ATOM 1426 C ASP A 88 18.494 -11.305 9.680 1.00 0.00 C ATOM 1427 O ASP A 88 18.482 -12.011 8.669 1.00 0.00 O ATOM 1428 CB ASP A 88 20.323 -12.544 10.941 1.00 0.00 C ATOM 1429 CG ASP A 88 21.472 -11.529 10.880 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.684 -10.808 11.879 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.178 -11.463 9.859 1.00 0.00 O ATOM 0 H ASP A 88 17.538 -13.445 10.753 1.00 0.00 H new ATOM 0 HA ASP A 88 18.971 -11.070 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.470 -13.195 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.361 -13.176 10.054 1.00 0.00 H new ATOM 1436 N GLY A 89 18.132 -10.008 9.683 1.00 0.00 N ATOM 1437 CA GLY A 89 17.759 -9.291 8.463 1.00 0.00 C ATOM 1438 C GLY A 89 18.951 -8.980 7.559 1.00 0.00 C ATOM 1439 O GLY A 89 18.775 -8.575 6.412 1.00 0.00 O ATOM 0 H GLY A 89 18.092 -9.437 10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.035 -9.886 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.264 -8.359 8.734 1.00 0.00 H new ATOM 1443 N MET A 90 20.176 -9.149 8.089 1.00 0.00 N ATOM 1444 CA MET A 90 21.412 -9.045 7.292 1.00 0.00 C ATOM 1445 C MET A 90 21.673 -10.374 6.552 1.00 0.00 C ATOM 1446 O MET A 90 22.356 -10.390 5.518 1.00 0.00 O ATOM 1447 CB MET A 90 22.615 -8.664 8.191 1.00 0.00 C ATOM 1448 CG MET A 90 22.515 -7.318 8.934 1.00 0.00 C ATOM 1449 SD MET A 90 22.715 -5.873 7.855 1.00 0.00 S ATOM 1450 CE MET A 90 21.063 -5.589 7.222 1.00 0.00 C ATOM 0 H MET A 90 20.337 -9.360 9.074 1.00 0.00 H new ATOM 0 HA MET A 90 21.288 -8.254 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.753 -9.453 8.930 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.512 -8.647 7.572 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.547 -7.258 9.431 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.276 -7.286 9.714 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.113 -5.385 6.152 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.450 -6.474 7.395 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.619 -4.735 7.733 1.00 0.00 H new ATOM 1460 N LEU A 91 21.157 -11.491 7.119 1.00 0.00 N ATOM 1461 CA LEU A 91 21.130 -12.802 6.443 1.00 0.00 C ATOM 1462 C LEU A 91 20.176 -12.765 5.248 1.00 0.00 C ATOM 1463 O LEU A 91 20.398 -13.467 4.258 1.00 0.00 O ATOM 1464 CB LEU A 91 20.752 -13.954 7.437 1.00 0.00 C ATOM 1465 CG LEU A 91 21.926 -14.518 8.297 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.467 -15.709 9.176 1.00 0.00 C ATOM 1467 CD2 LEU A 91 23.109 -14.900 7.398 1.00 0.00 C ATOM 0 H LEU A 91 20.750 -11.504 8.054 1.00 0.00 H new ATOM 0 HA LEU A 91 22.134 -13.013 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.976 -13.589 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.318 -14.774 6.865 1.00 0.00 H new ATOM 0 HG LEU A 91 22.257 -13.734 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.310 -16.076 9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.675 -15.381 9.849 1.00 0.00 H new ATOM 0 HD13 LEU A 91 21.093 -16.509 8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.920 -15.292 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.793 -15.661 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.455 -14.019 6.858 1.00 0.00 H new ATOM 1479 N VAL A 92 19.120 -11.942 5.359 1.00 0.00 N ATOM 1480 CA VAL A 92 18.245 -11.631 4.219 1.00 0.00 C ATOM 1481 C VAL A 92 18.964 -10.609 3.314 1.00 0.00 C ATOM 1482 O VAL A 92 19.820 -9.836 3.789 1.00 0.00 O ATOM 1483 CB VAL A 92 16.834 -11.055 4.647 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.802 -11.162 3.486 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.297 -11.733 5.917 1.00 0.00 C ATOM 0 H VAL A 92 18.852 -11.480 6.228 1.00 0.00 H new ATOM 0 HA VAL A 92 18.050 -12.565 3.692 1.00 0.00 H new ATOM 0 HB VAL A 92 16.980 -9.999 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.844 -10.758 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.161 -10.595 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.678 -12.208 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.327 -11.307 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.188 -12.803 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.994 -11.570 6.739 1.00 0.00 H new ATOM 1495 N LYS A 93 18.634 -10.623 2.018 1.00 0.00 N ATOM 1496 CA LYS A 93 19.142 -9.640 1.064 1.00 0.00 C ATOM 1497 C LYS A 93 18.637 -8.243 1.451 1.00 0.00 C ATOM 1498 O LYS A 93 17.417 -8.030 1.533 1.00 0.00 O ATOM 1499 CB LYS A 93 18.675 -9.981 -0.375 1.00 0.00 C ATOM 1500 CG LYS A 93 19.184 -11.332 -0.930 1.00 0.00 C ATOM 1501 CD LYS A 93 20.694 -11.331 -1.263 1.00 0.00 C ATOM 1502 CE LYS A 93 21.054 -10.404 -2.432 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.498 -10.477 -2.760 1.00 0.00 N ATOM 0 H LYS A 93 18.009 -11.315 1.605 1.00 0.00 H new ATOM 0 HA LYS A 93 20.232 -9.659 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.585 -9.986 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.002 -9.185 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.981 -12.115 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.622 -11.582 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.254 -11.025 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.007 -12.347 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.467 -10.678 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.789 -9.378 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.706 -9.838 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.057 -10.192 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.745 -11.452 -3.026 1.00 0.00 H new ATOM 1517 N ARG A 94 19.579 -7.321 1.745 1.00 0.00 N ATOM 1518 CA ARG A 94 19.262 -5.895 1.910 1.00 0.00 C ATOM 1519 C ARG A 94 18.490 -5.370 0.671 1.00 0.00 C ATOM 1520 O ARG A 94 17.432 -4.805 0.856 1.00 0.00 O ATOM 1521 CB ARG A 94 20.521 -5.022 2.181 1.00 0.00 C ATOM 1522 CG ARG A 94 21.337 -5.398 3.439 1.00 0.00 C ATOM 1523 CD ARG A 94 22.542 -4.456 3.630 1.00 0.00 C ATOM 1524 NE ARG A 94 23.362 -4.789 4.811 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.582 -4.297 5.053 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.214 -3.539 4.154 1.00 0.00 N ATOM 1527 NH2 ARG A 94 25.189 -4.594 6.187 1.00 0.00 N ATOM 0 H ARG A 94 20.566 -7.545 1.872 1.00 0.00 H new ATOM 0 HA ARG A 94 18.630 -5.810 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.177 -5.083 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.207 -3.982 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.695 -5.352 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.687 -6.427 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 94 23.169 -4.494 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.182 -3.431 3.723 1.00 0.00 H new ATOM 0 HE ARG A 94 22.971 -5.441 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.767 -3.325 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 94 26.144 -3.174 4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.728 -5.194 6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.119 -4.223 6.380 1.00 0.00 H new ATOM 1541 N PRO A 95 18.962 -5.581 -0.616 1.00 0.00 N ATOM 1542 CA PRO A 95 18.147 -5.236 -1.793 1.00 0.00 C ATOM 1543 C PRO A 95 17.018 -6.276 -2.000 1.00 0.00 C ATOM 1544 O PRO A 95 17.246 -7.348 -2.576 1.00 0.00 O ATOM 1545 CB PRO A 95 19.171 -5.229 -2.976 1.00 0.00 C ATOM 1546 CG PRO A 95 20.525 -5.404 -2.331 1.00 0.00 C ATOM 1547 CD PRO A 95 20.271 -6.148 -1.049 1.00 0.00 C ATOM 0 HA PRO A 95 17.637 -4.277 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.964 -6.034 -3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.119 -4.295 -3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 95 21.199 -5.962 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.994 -4.439 -2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.217 -7.225 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 95 21.055 -5.972 -0.313 1.00 0.00 H new ATOM 1555 N LEU A 96 15.830 -5.979 -1.450 1.00 0.00 N ATOM 1556 CA LEU A 96 14.616 -6.784 -1.654 1.00 0.00 C ATOM 1557 C LEU A 96 13.445 -5.819 -1.784 1.00 0.00 C ATOM 1558 O LEU A 96 13.399 -4.782 -1.137 1.00 0.00 O ATOM 1559 CB LEU A 96 14.413 -7.823 -0.490 1.00 0.00 C ATOM 1560 CG LEU A 96 13.096 -8.717 -0.512 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.321 -10.102 0.146 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.891 -8.033 0.165 1.00 0.00 C ATOM 0 H LEU A 96 15.684 -5.169 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 96 14.699 -7.380 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.272 -8.493 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.431 -7.277 0.453 1.00 0.00 H new ATOM 0 HG LEU A 96 12.866 -8.851 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.396 -10.677 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.104 -10.637 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.622 -9.967 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.024 -8.692 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.130 -7.823 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.665 -7.100 -0.351 1.00 0.00 H new ATOM 1574 N ALA A 97 12.512 -6.162 -2.649 1.00 0.00 N ATOM 1575 CA ALA A 97 11.260 -5.436 -2.820 1.00 0.00 C ATOM 1576 C ALA A 97 10.179 -6.478 -3.050 1.00 0.00 C ATOM 1577 O ALA A 97 10.340 -7.324 -3.919 1.00 0.00 O ATOM 1578 CB ALA A 97 11.388 -4.440 -3.987 1.00 0.00 C ATOM 0 H ALA A 97 12.600 -6.969 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 97 11.005 -4.841 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.449 -3.901 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.188 -3.731 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.618 -4.982 -4.904 1.00 0.00 H new ATOM 1584 N VAL A 98 9.116 -6.458 -2.247 1.00 0.00 N ATOM 1585 CA VAL A 98 8.043 -7.464 -2.327 1.00 0.00 C ATOM 1586 C VAL A 98 6.661 -6.791 -2.270 1.00 0.00 C ATOM 1587 O VAL A 98 6.500 -5.723 -1.697 1.00 0.00 O ATOM 1588 CB VAL A 98 8.203 -8.552 -1.195 1.00 0.00 C ATOM 1589 CG1 VAL A 98 8.060 -7.953 0.229 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.237 -9.748 -1.407 1.00 0.00 C ATOM 0 H VAL A 98 8.969 -5.752 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 98 8.124 -7.975 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 98 9.221 -8.932 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.178 -8.744 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.827 -7.194 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.074 -7.500 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.378 -10.475 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.207 -9.391 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.447 -10.219 -2.367 1.00 0.00 H new ATOM 1600 N MET A 99 5.675 -7.432 -2.900 1.00 0.00 N ATOM 1601 CA MET A 99 4.261 -7.021 -2.863 1.00 0.00 C ATOM 1602 C MET A 99 3.423 -8.302 -2.620 1.00 0.00 C ATOM 1603 O MET A 99 3.961 -9.311 -2.141 1.00 0.00 O ATOM 1604 CB MET A 99 3.870 -6.299 -4.210 1.00 0.00 C ATOM 1605 CG MET A 99 2.890 -5.109 -4.056 1.00 0.00 C ATOM 1606 SD MET A 99 2.000 -4.695 -5.583 1.00 0.00 S ATOM 1607 CE MET A 99 3.324 -4.398 -6.755 1.00 0.00 C ATOM 0 H MET A 99 5.835 -8.268 -3.462 1.00 0.00 H new ATOM 0 HA MET A 99 4.071 -6.304 -2.064 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.781 -5.940 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.424 -7.033 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.166 -5.345 -3.276 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.446 -4.233 -3.721 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.900 -4.154 -7.729 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.938 -3.567 -6.408 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.941 -5.293 -6.842 1.00 0.00 H new ATOM 1617 N GLY A 100 2.117 -8.279 -2.947 1.00 0.00 N ATOM 1618 CA GLY A 100 1.243 -9.443 -2.730 1.00 0.00 C ATOM 1619 C GLY A 100 1.271 -10.473 -3.859 1.00 0.00 C ATOM 1620 O GLY A 100 0.740 -11.572 -3.701 1.00 0.00 O ATOM 0 H GLY A 100 1.648 -7.472 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.534 -9.933 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.219 -9.094 -2.599 1.00 0.00 H new ATOM 1624 N ASP A 101 1.861 -10.108 -5.008 1.00 0.00 N ATOM 1625 CA ASP A 101 1.985 -11.007 -6.184 1.00 0.00 C ATOM 1626 C ASP A 101 3.398 -10.909 -6.781 1.00 0.00 C ATOM 1627 O ASP A 101 3.947 -11.893 -7.275 1.00 0.00 O ATOM 1628 CB ASP A 101 0.952 -10.634 -7.285 1.00 0.00 C ATOM 1629 CG ASP A 101 -0.521 -10.717 -6.833 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -1.137 -11.798 -6.970 1.00 0.00 O ATOM 1631 OD2 ASP A 101 -1.071 -9.696 -6.348 1.00 0.00 O ATOM 0 H ASP A 101 2.268 -9.184 -5.156 1.00 0.00 H new ATOM 0 HA ASP A 101 1.793 -12.024 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.157 -9.620 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.095 -11.296 -8.139 1.00 0.00 H new ATOM 1636 N LYS A 102 3.967 -9.697 -6.743 1.00 0.00 N ATOM 1637 CA LYS A 102 5.250 -9.367 -7.389 1.00 0.00 C ATOM 1638 C LYS A 102 6.413 -9.327 -6.367 1.00 0.00 C ATOM 1639 O LYS A 102 6.187 -9.026 -5.196 1.00 0.00 O ATOM 1640 CB LYS A 102 5.089 -7.991 -8.087 1.00 0.00 C ATOM 1641 CG LYS A 102 4.031 -7.937 -9.207 1.00 0.00 C ATOM 1642 CD LYS A 102 4.324 -8.919 -10.363 1.00 0.00 C ATOM 1643 CE LYS A 102 3.325 -8.775 -11.523 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.917 -8.984 -11.079 1.00 0.00 N ATOM 0 H LYS A 102 3.546 -8.906 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 102 5.500 -10.140 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.833 -7.248 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.052 -7.700 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.052 -8.163 -8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.981 -6.923 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.334 -8.748 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.292 -9.941 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.422 -7.783 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.570 -9.496 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.288 -8.979 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.839 -9.899 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.641 -8.220 -10.430 1.00 0.00 H new ATOM 1658 N ILE A 103 7.656 -9.618 -6.830 1.00 0.00 N ATOM 1659 CA ILE A 103 8.883 -9.538 -5.985 1.00 0.00 C ATOM 1660 C ILE A 103 10.168 -9.425 -6.857 1.00 0.00 C ATOM 1661 O ILE A 103 10.220 -9.961 -7.970 1.00 0.00 O ATOM 1662 CB ILE A 103 9.000 -10.772 -4.998 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.152 -10.567 -3.948 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.184 -12.091 -5.783 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.174 -11.572 -2.806 1.00 0.00 C ATOM 0 H ILE A 103 7.839 -9.912 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 103 8.792 -8.633 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 103 8.065 -10.839 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.109 -10.612 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.065 -9.565 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.262 -12.923 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.327 -12.247 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.093 -12.034 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.004 -11.345 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.237 -11.515 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.297 -12.577 -3.209 1.00 0.00 H new ATOM 1677 N THR A 104 11.183 -8.695 -6.343 1.00 0.00 N ATOM 1678 CA THR A 104 12.524 -8.579 -6.946 1.00 0.00 C ATOM 1679 C THR A 104 13.601 -8.717 -5.850 1.00 0.00 C ATOM 1680 O THR A 104 13.495 -8.082 -4.792 1.00 0.00 O ATOM 1681 CB THR A 104 12.721 -7.201 -7.677 1.00 0.00 C ATOM 1682 OG1 THR A 104 12.430 -6.114 -6.779 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.836 -7.073 -8.925 1.00 0.00 C ATOM 0 H THR A 104 11.088 -8.160 -5.480 1.00 0.00 H new ATOM 0 HA THR A 104 12.621 -9.377 -7.683 1.00 0.00 H new ATOM 0 HB THR A 104 13.763 -7.157 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.201 -5.958 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.008 -6.105 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.083 -7.867 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.788 -7.156 -8.638 1.00 0.00 H new ATOM 1691 N LEU A 105 14.616 -9.568 -6.101 1.00 0.00 N ATOM 1692 CA LEU A 105 15.820 -9.684 -5.244 1.00 0.00 C ATOM 1693 C LEU A 105 17.038 -9.125 -6.000 1.00 0.00 C ATOM 1694 O LEU A 105 17.225 -9.415 -7.194 1.00 0.00 O ATOM 1695 CB LEU A 105 16.072 -11.162 -4.803 1.00 0.00 C ATOM 1696 CG LEU A 105 15.325 -11.662 -3.536 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.773 -10.881 -2.303 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.796 -11.615 -3.712 1.00 0.00 C ATOM 0 H LEU A 105 14.627 -10.197 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 105 15.658 -9.103 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.801 -11.813 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.142 -11.287 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 105 15.590 -12.709 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.238 -11.247 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.845 -11.016 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.557 -9.822 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.314 -11.973 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.484 -10.589 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.507 -12.249 -4.550 1.00 0.00 H new ATOM 1710 N GLY A 106 17.860 -8.342 -5.280 1.00 0.00 N ATOM 1711 CA GLY A 106 19.019 -7.660 -5.858 1.00 0.00 C ATOM 1712 C GLY A 106 18.637 -6.384 -6.616 1.00 0.00 C ATOM 1713 O GLY A 106 17.511 -6.273 -7.129 1.00 0.00 O ATOM 0 H GLY A 106 17.735 -8.168 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.721 -7.409 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.535 -8.340 -6.536 1.00 0.00 H new ATOM 1717 N PHE A 107 19.566 -5.406 -6.665 1.00 0.00 N ATOM 1718 CA PHE A 107 19.392 -4.186 -7.470 1.00 0.00 C ATOM 1719 C PHE A 107 19.485 -4.547 -8.962 1.00 0.00 C ATOM 1720 O PHE A 107 20.585 -4.665 -9.522 1.00 0.00 O ATOM 1721 CB PHE A 107 20.435 -3.098 -7.093 1.00 0.00 C ATOM 1722 CG PHE A 107 20.319 -1.815 -7.931 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.220 -0.969 -7.791 1.00 0.00 C ATOM 1724 CD2 PHE A 107 21.291 -1.470 -8.879 1.00 0.00 C ATOM 1725 CE1 PHE A 107 19.095 0.168 -8.568 1.00 0.00 C ATOM 1726 CE2 PHE A 107 21.165 -0.329 -9.650 1.00 0.00 C ATOM 1727 CZ PHE A 107 20.068 0.486 -9.494 1.00 0.00 C ATOM 0 H PHE A 107 20.447 -5.442 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 107 18.408 -3.766 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.318 -2.845 -6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.437 -3.510 -7.213 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.455 -1.205 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 107 22.154 -2.106 -9.010 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.234 0.809 -8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 107 21.927 -0.078 -10.373 1.00 0.00 H new ATOM 0 HZ PHE A 107 19.968 1.376 -10.097 1.00 0.00 H new ATOM 1737 N LYS A 108 18.318 -4.788 -9.573 1.00 0.00 N ATOM 1738 CA LYS A 108 18.209 -5.154 -10.990 1.00 0.00 C ATOM 1739 C LYS A 108 17.144 -4.283 -11.661 1.00 0.00 C ATOM 1740 O LYS A 108 15.947 -4.488 -11.437 1.00 0.00 O ATOM 1741 CB LYS A 108 17.849 -6.656 -11.160 1.00 0.00 C ATOM 1742 CG LYS A 108 18.836 -7.643 -10.507 1.00 0.00 C ATOM 1743 CD LYS A 108 18.512 -9.101 -10.882 1.00 0.00 C ATOM 1744 CE LYS A 108 19.472 -10.118 -10.256 1.00 0.00 C ATOM 1745 NZ LYS A 108 19.242 -11.485 -10.779 1.00 0.00 N ATOM 0 H LYS A 108 17.418 -4.734 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 108 19.176 -4.986 -11.464 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.858 -6.826 -10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.786 -6.880 -12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.852 -7.403 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.802 -7.529 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.494 -9.332 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.541 -9.205 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.501 -9.820 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.347 -10.117 -9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 19.910 -12.145 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.268 -11.780 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 19.386 -11.491 -11.809 1.00 0.00 H new ATOM 1759 N GLU A 109 17.592 -3.314 -12.477 1.00 0.00 N ATOM 1760 CA GLU A 109 16.707 -2.395 -13.213 1.00 0.00 C ATOM 1761 C GLU A 109 15.785 -3.163 -14.188 1.00 0.00 C ATOM 1762 O GLU A 109 14.638 -2.757 -14.415 1.00 0.00 O ATOM 1763 CB GLU A 109 17.564 -1.335 -13.955 1.00 0.00 C ATOM 1764 CG GLU A 109 16.755 -0.290 -14.745 1.00 0.00 C ATOM 1765 CD GLU A 109 17.581 0.907 -15.227 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.830 1.830 -14.417 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.996 0.933 -16.401 1.00 0.00 O ATOM 0 H GLU A 109 18.584 -3.145 -12.646 1.00 0.00 H new ATOM 0 HA GLU A 109 16.057 -1.884 -12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.187 -0.817 -13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.237 -1.848 -14.642 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.300 -0.775 -15.609 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.941 0.073 -14.118 1.00 0.00 H new ATOM 1774 N ASP A 110 16.285 -4.303 -14.715 1.00 0.00 N ATOM 1775 CA ASP A 110 15.518 -5.178 -15.628 1.00 0.00 C ATOM 1776 C ASP A 110 14.314 -5.777 -14.893 1.00 0.00 C ATOM 1777 O ASP A 110 13.169 -5.674 -15.353 1.00 0.00 O ATOM 1778 CB ASP A 110 16.424 -6.301 -16.191 1.00 0.00 C ATOM 1779 CG ASP A 110 15.710 -7.239 -17.199 1.00 0.00 C ATOM 1780 OD1 ASP A 110 15.681 -6.918 -18.415 1.00 0.00 O ATOM 1781 OD2 ASP A 110 15.207 -8.313 -16.788 1.00 0.00 O ATOM 0 H ASP A 110 17.228 -4.641 -14.520 1.00 0.00 H new ATOM 0 HA ASP A 110 15.156 -4.580 -16.464 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.286 -5.848 -16.680 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.805 -6.897 -15.362 1.00 0.00 H new ATOM 1786 N GLN A 111 14.592 -6.374 -13.724 1.00 0.00 N ATOM 1787 CA GLN A 111 13.570 -6.946 -12.850 1.00 0.00 C ATOM 1788 C GLN A 111 12.576 -5.881 -12.367 1.00 0.00 C ATOM 1789 O GLN A 111 11.405 -6.176 -12.216 1.00 0.00 O ATOM 1790 CB GLN A 111 14.231 -7.657 -11.648 1.00 0.00 C ATOM 1791 CG GLN A 111 15.023 -8.916 -12.033 1.00 0.00 C ATOM 1792 CD GLN A 111 14.159 -10.079 -12.549 1.00 0.00 C ATOM 1793 OE1 GLN A 111 12.948 -10.237 -12.020 1.00 0.00 O flip ATOM 1794 NE2 GLN A 111 14.606 -10.862 -13.386 1.00 0.00 N flip ATOM 0 H GLN A 111 15.540 -6.471 -13.361 1.00 0.00 H new ATOM 0 HA GLN A 111 13.008 -7.679 -13.430 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.900 -6.957 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.458 -7.930 -10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.750 -8.652 -12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.586 -9.256 -11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 111 15.538 -10.716 -13.774 1.00 0.00 H new ATOM 0 HE22 GLN A 111 14.045 -11.657 -13.692 1.00 0.00 H new ATOM 1803 N TYR A 112 13.039 -4.640 -12.147 1.00 0.00 N ATOM 1804 CA TYR A 112 12.155 -3.553 -11.680 1.00 0.00 C ATOM 1805 C TYR A 112 11.135 -3.169 -12.772 1.00 0.00 C ATOM 1806 O TYR A 112 9.928 -3.091 -12.499 1.00 0.00 O ATOM 1807 CB TYR A 112 12.964 -2.314 -11.227 1.00 0.00 C ATOM 1808 CG TYR A 112 13.879 -2.525 -10.007 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.572 -3.457 -9.008 1.00 0.00 C ATOM 1810 CD2 TYR A 112 15.048 -1.775 -9.849 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.395 -3.629 -7.911 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.870 -1.948 -8.759 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.543 -2.875 -7.791 1.00 0.00 C ATOM 1814 OH TYR A 112 16.360 -3.040 -6.694 1.00 0.00 O ATOM 0 H TYR A 112 14.011 -4.363 -12.283 1.00 0.00 H new ATOM 0 HA TYR A 112 11.609 -3.925 -10.813 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.576 -1.977 -12.063 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.265 -1.510 -10.999 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.675 -4.053 -9.096 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.312 -1.044 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 112 14.140 -4.352 -7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.770 -1.359 -8.661 1.00 0.00 H new ATOM 0 HH TYR A 112 16.295 -3.964 -6.374 1.00 0.00 H new ATOM 1824 N LYS A 113 11.632 -2.982 -14.014 1.00 0.00 N ATOM 1825 CA LYS A 113 10.778 -2.584 -15.153 1.00 0.00 C ATOM 1826 C LYS A 113 9.892 -3.742 -15.637 1.00 0.00 C ATOM 1827 O LYS A 113 8.922 -3.513 -16.349 1.00 0.00 O ATOM 1828 CB LYS A 113 11.631 -1.963 -16.315 1.00 0.00 C ATOM 1829 CG LYS A 113 12.672 -2.887 -17.012 1.00 0.00 C ATOM 1830 CD LYS A 113 12.065 -3.822 -18.094 1.00 0.00 C ATOM 1831 CE LYS A 113 13.069 -4.833 -18.674 1.00 0.00 C ATOM 1832 NZ LYS A 113 12.432 -5.752 -19.658 1.00 0.00 N ATOM 0 H LYS A 113 12.617 -3.100 -14.252 1.00 0.00 H new ATOM 0 HA LYS A 113 10.102 -1.805 -14.799 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.944 -1.594 -17.077 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.161 -1.097 -15.918 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.441 -2.267 -17.473 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.165 -3.497 -16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.225 -4.365 -17.662 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.667 -3.213 -18.906 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.886 -4.296 -19.156 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.505 -5.416 -17.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 13.169 -6.288 -20.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.802 -6.412 -19.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.880 -5.198 -20.344 1.00 0.00 H new ATOM 1846 N GLU A 114 10.274 -4.986 -15.309 1.00 0.00 N ATOM 1847 CA GLU A 114 9.505 -6.186 -15.702 1.00 0.00 C ATOM 1848 C GLU A 114 8.396 -6.500 -14.673 1.00 0.00 C ATOM 1849 O GLU A 114 7.231 -6.725 -15.032 1.00 0.00 O ATOM 1850 CB GLU A 114 10.465 -7.392 -15.836 1.00 0.00 C ATOM 1851 CG GLU A 114 9.852 -8.635 -16.513 1.00 0.00 C ATOM 1852 CD GLU A 114 9.479 -8.405 -17.994 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.366 -8.000 -18.787 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.315 -8.655 -18.383 1.00 0.00 O ATOM 0 H GLU A 114 11.115 -5.192 -14.770 1.00 0.00 H new ATOM 0 HA GLU A 114 9.025 -5.992 -16.661 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.340 -7.080 -16.406 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.815 -7.672 -14.842 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.560 -9.461 -16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.960 -8.936 -15.964 1.00 0.00 H new ATOM 1861 N THR A 115 8.785 -6.481 -13.391 1.00 0.00 N ATOM 1862 CA THR A 115 7.955 -6.970 -12.270 1.00 0.00 C ATOM 1863 C THR A 115 6.994 -5.876 -11.762 1.00 0.00 C ATOM 1864 O THR A 115 5.780 -6.107 -11.644 1.00 0.00 O ATOM 1865 CB THR A 115 8.881 -7.474 -11.108 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.833 -8.421 -11.628 1.00 0.00 O ATOM 1867 CG2 THR A 115 8.113 -8.121 -9.957 1.00 0.00 C ATOM 0 H THR A 115 9.693 -6.123 -13.095 1.00 0.00 H new ATOM 0 HA THR A 115 7.345 -7.799 -12.629 1.00 0.00 H new ATOM 0 HB THR A 115 9.381 -6.594 -10.705 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.617 -7.943 -11.969 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.815 -8.446 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.418 -7.397 -9.531 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.557 -8.982 -10.329 1.00 0.00 H new ATOM 1875 N TRP A 116 7.539 -4.681 -11.478 1.00 0.00 N ATOM 1876 CA TRP A 116 6.775 -3.583 -10.849 1.00 0.00 C ATOM 1877 C TRP A 116 6.097 -2.721 -11.913 1.00 0.00 C ATOM 1878 O TRP A 116 4.866 -2.630 -11.976 1.00 0.00 O ATOM 1879 CB TRP A 116 7.700 -2.690 -9.975 1.00 0.00 C ATOM 1880 CG TRP A 116 8.555 -3.460 -9.001 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.916 -3.491 -8.947 1.00 0.00 C ATOM 1882 CD2 TRP A 116 8.096 -4.314 -7.956 1.00 0.00 C ATOM 1883 NE1 TRP A 116 10.328 -4.316 -7.946 1.00 0.00 N ATOM 1884 CE2 TRP A 116 9.229 -4.834 -7.327 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.844 -4.696 -7.492 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 9.137 -5.709 -6.267 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.761 -5.557 -6.430 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.904 -6.063 -5.832 1.00 0.00 C ATOM 0 H TRP A 116 8.512 -4.447 -11.675 1.00 0.00 H new ATOM 0 HA TRP A 116 6.014 -4.034 -10.212 1.00 0.00 H new ATOM 0 HB2 TRP A 116 8.348 -2.107 -10.629 1.00 0.00 H new ATOM 0 HB3 TRP A 116 7.085 -1.981 -9.421 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.573 -2.940 -9.604 1.00 0.00 H new ATOM 0 HE1 TRP A 116 11.298 -4.514 -7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.948 -4.319 -7.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 10.025 -6.103 -5.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.791 -5.846 -6.053 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.810 -6.751 -5.005 1.00 0.00 H new ATOM 1899 N LEU A 117 6.943 -2.120 -12.762 1.00 0.00 N ATOM 1900 CA LEU A 117 6.535 -1.061 -13.694 1.00 0.00 C ATOM 1901 C LEU A 117 5.715 -1.667 -14.853 1.00 0.00 C ATOM 1902 O LEU A 117 4.494 -1.471 -14.929 1.00 0.00 O ATOM 1903 CB LEU A 117 7.801 -0.302 -14.204 1.00 0.00 C ATOM 1904 CG LEU A 117 8.870 0.067 -13.114 1.00 0.00 C ATOM 1905 CD1 LEU A 117 10.043 0.834 -13.722 1.00 0.00 C ATOM 1906 CD2 LEU A 117 8.266 0.841 -11.932 1.00 0.00 C ATOM 0 H LEU A 117 7.933 -2.356 -12.821 1.00 0.00 H new ATOM 0 HA LEU A 117 5.895 -0.340 -13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.284 -0.914 -14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.477 0.617 -14.692 1.00 0.00 H new ATOM 0 HG LEU A 117 9.245 -0.877 -12.719 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.765 1.074 -12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.523 0.220 -14.484 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.679 1.756 -14.175 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.049 1.070 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.823 1.769 -12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.497 0.234 -11.454 1.00 0.00 H new ATOM 1918 N ALA A 118 6.414 -2.420 -15.720 1.00 0.00 N ATOM 1919 CA ALA A 118 5.830 -3.197 -16.834 1.00 0.00 C ATOM 1920 C ALA A 118 5.150 -2.272 -17.876 1.00 0.00 C ATOM 1921 O ALA A 118 3.906 -2.211 -17.949 1.00 0.00 O ATOM 1922 CB ALA A 118 4.898 -4.315 -16.304 1.00 0.00 C ATOM 1923 OXT ALA A 118 5.885 -1.552 -18.588 1.00 0.00 O ATOM 0 H ALA A 118 7.429 -2.509 -15.666 1.00 0.00 H new ATOM 0 HA ALA A 118 6.639 -3.699 -17.365 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.482 -4.871 -17.144 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.468 -4.992 -15.667 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.088 -3.870 -15.727 1.00 0.00 H new TER 1929 ALA A 118