USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 35 ASN :FLIP amide:sc= 0.981 F(o=-0.072!,f=1.8) USER MOD Set 1.2: A 37 THR OG1 : rot -59:sc= 0.859 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= -0.855 (180deg=-1.06) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -151:sc= -1.58 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 25 MET CE :methyl -106:sc= -4.37 (180deg=-11.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 170:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 0.57 (180deg=-0.0262) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 51 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.104 (180deg=-0.589) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.783 -4.050 3.503 1.00 0.00 N ATOM 2 CA MET A 1 -3.447 -4.103 2.921 1.00 0.00 C ATOM 3 C MET A 1 -3.512 -4.486 1.446 1.00 0.00 C ATOM 4 O MET A 1 -3.549 -5.668 1.103 1.00 0.00 O ATOM 5 CB MET A 1 -2.576 -5.104 3.682 1.00 0.00 C ATOM 6 CG MET A 1 -1.087 -4.810 3.585 1.00 0.00 C ATOM 7 SD MET A 1 -0.326 -5.554 2.130 1.00 0.00 S ATOM 8 CE MET A 1 0.330 -7.068 2.828 1.00 0.00 C ATOM 0 H1 MET A 1 -4.714 -3.788 4.507 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.354 -3.342 2.998 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.235 -4.983 3.419 1.00 0.00 H new ATOM 0 HA MET A 1 -3.003 -3.111 3.001 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.870 -5.105 4.732 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.766 -6.106 3.296 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.935 -3.731 3.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.588 -5.180 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.833 -7.640 2.048 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.042 -6.826 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.485 -7.660 3.244 1.00 0.00 H new ATOM 18 N ASP A 2 -3.524 -3.480 0.578 1.00 0.00 N ATOM 19 CA ASP A 2 -3.584 -3.712 -0.860 1.00 0.00 C ATOM 20 C ASP A 2 -2.451 -2.982 -1.575 1.00 0.00 C ATOM 21 O ASP A 2 -2.640 -2.439 -2.664 1.00 0.00 O ATOM 22 CB ASP A 2 -4.933 -3.256 -1.417 1.00 0.00 C ATOM 23 CG ASP A 2 -6.070 -4.167 -0.997 1.00 0.00 C ATOM 24 OD1 ASP A 2 -6.677 -3.909 0.063 1.00 0.00 O ATOM 25 OD2 ASP A 2 -6.354 -5.137 -1.730 1.00 0.00 O ATOM 0 H ASP A 2 -3.493 -2.496 0.846 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.471 -4.782 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.139 -2.241 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.881 -3.222 -2.505 1.00 0.00 H new ATOM 30 N GLU A 3 -1.276 -2.971 -0.955 1.00 0.00 N ATOM 31 CA GLU A 3 -0.114 -2.305 -1.533 1.00 0.00 C ATOM 32 C GLU A 3 0.782 -3.306 -2.258 1.00 0.00 C ATOM 33 O GLU A 3 1.968 -3.431 -1.952 1.00 0.00 O ATOM 34 CB GLU A 3 0.684 -1.587 -0.442 1.00 0.00 C ATOM 35 CG GLU A 3 1.047 -2.478 0.734 1.00 0.00 C ATOM 36 CD GLU A 3 2.081 -1.847 1.646 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.289 -2.045 1.399 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.682 -1.156 2.607 1.00 0.00 O ATOM 0 H GLU A 3 -1.103 -3.415 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.470 -1.571 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.599 -1.185 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.104 -0.739 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.148 -2.699 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.429 -3.428 0.361 1.00 0.00 H new ATOM 45 N THR A 4 0.205 -4.017 -3.222 1.00 0.00 N ATOM 46 CA THR A 4 0.949 -5.007 -3.990 1.00 0.00 C ATOM 47 C THR A 4 0.385 -5.146 -5.400 1.00 0.00 C ATOM 48 O THR A 4 -0.644 -4.557 -5.728 1.00 0.00 O ATOM 49 CB THR A 4 0.927 -6.385 -3.302 1.00 0.00 C ATOM 50 OG1 THR A 4 1.838 -7.274 -3.957 1.00 0.00 O ATOM 51 CG2 THR A 4 -0.474 -6.978 -3.325 1.00 0.00 C ATOM 0 H THR A 4 -0.775 -3.925 -3.489 1.00 0.00 H new ATOM 0 HA THR A 4 1.979 -4.654 -4.046 1.00 0.00 H new ATOM 0 HB THR A 4 1.232 -6.254 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.819 -8.147 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.465 -7.951 -2.834 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.159 -6.313 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.802 -7.096 -4.358 1.00 0.00 H new ATOM 59 N GLY A 5 1.065 -5.931 -6.230 1.00 0.00 N ATOM 60 CA GLY A 5 0.616 -6.134 -7.595 1.00 0.00 C ATOM 61 C GLY A 5 -0.398 -7.255 -7.711 1.00 0.00 C ATOM 62 O GLY A 5 -0.245 -8.158 -8.533 1.00 0.00 O ATOM 0 H GLY A 5 1.919 -6.430 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.176 -5.210 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.475 -6.358 -8.227 1.00 0.00 H new ATOM 66 N LYS A 6 -1.436 -7.200 -6.883 1.00 0.00 N ATOM 67 CA LYS A 6 -2.479 -8.219 -6.895 1.00 0.00 C ATOM 68 C LYS A 6 -3.738 -7.717 -6.194 1.00 0.00 C ATOM 69 O LYS A 6 -3.660 -7.060 -5.157 1.00 0.00 O ATOM 70 CB LYS A 6 -1.980 -9.497 -6.218 1.00 0.00 C ATOM 71 CG LYS A 6 -1.330 -10.479 -7.176 1.00 0.00 C ATOM 72 CD LYS A 6 -1.583 -11.918 -6.758 1.00 0.00 C ATOM 73 CE LYS A 6 -0.781 -12.894 -7.604 1.00 0.00 C ATOM 74 NZ LYS A 6 -1.112 -12.776 -9.051 1.00 0.00 N ATOM 0 H LYS A 6 -1.577 -6.460 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.726 -8.439 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.262 -9.231 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.818 -9.987 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.718 -10.318 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.257 -10.294 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.320 -12.044 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.646 -12.143 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.284 -12.711 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.978 -13.912 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.663 -13.554 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.143 -12.824 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.761 -11.867 -9.414 1.00 0.00 H new ATOM 88 N GLU A 7 -4.895 -8.033 -6.768 1.00 0.00 N ATOM 89 CA GLU A 7 -6.169 -7.614 -6.196 1.00 0.00 C ATOM 90 C GLU A 7 -7.208 -8.725 -6.309 1.00 0.00 C ATOM 91 O GLU A 7 -6.982 -9.737 -6.974 1.00 0.00 O ATOM 92 CB GLU A 7 -6.677 -6.352 -6.897 1.00 0.00 C ATOM 93 CG GLU A 7 -5.848 -5.114 -6.598 1.00 0.00 C ATOM 94 CD GLU A 7 -5.865 -4.112 -7.737 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.876 -4.544 -8.908 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.869 -2.895 -7.455 1.00 0.00 O ATOM 0 H GLU A 7 -4.976 -8.577 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.010 -7.396 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.685 -6.523 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.709 -6.170 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.227 -4.637 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.819 -5.411 -6.395 1.00 0.00 H new ATOM 103 N LEU A 8 -8.348 -8.530 -5.656 1.00 0.00 N ATOM 104 CA LEU A 8 -9.423 -9.516 -5.682 1.00 0.00 C ATOM 105 C LEU A 8 -10.656 -8.959 -6.387 1.00 0.00 C ATOM 106 O LEU A 8 -10.992 -7.784 -6.236 1.00 0.00 O ATOM 107 CB LEU A 8 -9.785 -9.943 -4.258 1.00 0.00 C ATOM 108 CG LEU A 8 -8.678 -10.634 -3.462 1.00 0.00 C ATOM 109 CD1 LEU A 8 -8.869 -10.404 -1.971 1.00 0.00 C ATOM 110 CD2 LEU A 8 -8.646 -12.123 -3.775 1.00 0.00 C ATOM 0 H LEU A 8 -8.552 -7.698 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.071 -10.386 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.105 -9.059 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.642 -10.615 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.722 -10.201 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.072 -10.903 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.840 -9.335 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.832 -10.809 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.852 -12.599 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.604 -12.571 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.459 -12.267 -4.839 1.00 0.00 H new ATOM 122 N VAL A 9 -11.327 -9.810 -7.156 1.00 0.00 N ATOM 123 CA VAL A 9 -12.524 -9.404 -7.882 1.00 0.00 C ATOM 124 C VAL A 9 -13.706 -10.304 -7.540 1.00 0.00 C ATOM 125 O VAL A 9 -13.532 -11.480 -7.217 1.00 0.00 O ATOM 126 CB VAL A 9 -12.295 -9.433 -9.404 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.288 -8.369 -9.813 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.833 -10.813 -9.847 1.00 0.00 C ATOM 0 H VAL A 9 -11.062 -10.785 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.748 -8.382 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.241 -9.214 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.139 -8.405 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.663 -7.385 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.339 -8.553 -9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.676 -10.815 -10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.899 -11.063 -9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.593 -11.551 -9.589 1.00 0.00 H new ATOM 138 N LEU A 10 -14.909 -9.745 -7.613 1.00 0.00 N ATOM 139 CA LEU A 10 -16.122 -10.498 -7.311 1.00 0.00 C ATOM 140 C LEU A 10 -16.877 -10.848 -8.589 1.00 0.00 C ATOM 141 O LEU A 10 -16.887 -10.076 -9.547 1.00 0.00 O ATOM 142 CB LEU A 10 -17.026 -9.693 -6.375 1.00 0.00 C ATOM 143 CG LEU A 10 -18.086 -10.491 -5.615 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.468 -9.779 -4.327 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.312 -10.716 -6.488 1.00 0.00 C ATOM 0 H LEU A 10 -15.071 -8.774 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.831 -11.425 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.397 -9.179 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.530 -8.924 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.666 -11.463 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.223 -10.361 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.586 -9.671 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.869 -8.793 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.056 -11.286 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.734 -9.754 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.025 -11.270 -7.382 1.00 0.00 H new ATOM 157 N ALA A 11 -17.510 -12.016 -8.595 1.00 0.00 N ATOM 158 CA ALA A 11 -18.272 -12.467 -9.753 1.00 0.00 C ATOM 159 C ALA A 11 -19.689 -11.904 -9.731 1.00 0.00 C ATOM 160 O ALA A 11 -20.434 -12.106 -8.772 1.00 0.00 O ATOM 161 CB ALA A 11 -18.307 -13.987 -9.803 1.00 0.00 C ATOM 0 H ALA A 11 -17.510 -12.668 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.776 -12.096 -10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.879 -14.309 -10.673 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.290 -14.372 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.777 -14.370 -8.897 1.00 0.00 H new ATOM 167 N LEU A 12 -20.055 -11.195 -10.794 1.00 0.00 N ATOM 168 CA LEU A 12 -21.384 -10.601 -10.896 1.00 0.00 C ATOM 169 C LEU A 12 -22.461 -11.680 -10.929 1.00 0.00 C ATOM 170 O LEU A 12 -23.285 -11.777 -10.019 1.00 0.00 O ATOM 171 CB LEU A 12 -21.479 -9.730 -12.150 1.00 0.00 C ATOM 172 CG LEU A 12 -20.533 -8.530 -12.208 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.477 -7.962 -13.617 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.966 -7.461 -11.216 1.00 0.00 C ATOM 0 H LEU A 12 -19.451 -11.018 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.546 -9.979 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.289 -10.359 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.502 -9.365 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.533 -8.867 -11.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.799 -7.109 -13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.118 -8.728 -14.304 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.474 -7.641 -13.920 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.281 -6.615 -11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.975 -7.128 -11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.952 -7.874 -10.207 1.00 0.00 H new ATOM 186 N TYR A 13 -22.449 -12.489 -11.982 1.00 0.00 N ATOM 187 CA TYR A 13 -23.425 -13.562 -12.134 1.00 0.00 C ATOM 188 C TYR A 13 -22.737 -14.923 -12.176 1.00 0.00 C ATOM 189 O TYR A 13 -21.513 -15.015 -12.085 1.00 0.00 O ATOM 190 CB TYR A 13 -24.248 -13.354 -13.406 1.00 0.00 C ATOM 191 CG TYR A 13 -24.739 -11.935 -13.585 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.763 -11.429 -12.794 1.00 0.00 C ATOM 193 CD2 TYR A 13 -24.178 -11.101 -14.544 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.215 -10.133 -12.955 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.623 -9.804 -14.711 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.642 -9.325 -13.914 1.00 0.00 C ATOM 197 OH TYR A 13 -26.089 -8.033 -14.076 1.00 0.00 O ATOM 0 H TYR A 13 -21.774 -12.422 -12.744 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.090 -13.539 -11.271 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.643 -13.632 -14.269 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.106 -14.027 -13.388 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.213 -12.059 -12.041 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.380 -11.473 -15.170 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.013 -9.755 -12.333 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -24.176 -9.169 -15.461 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.580 -7.598 -14.792 1.00 0.00 H new ATOM 207 N ASP A 14 -23.534 -15.977 -12.316 1.00 0.00 N ATOM 208 CA ASP A 14 -23.003 -17.334 -12.373 1.00 0.00 C ATOM 209 C ASP A 14 -22.556 -17.684 -13.789 1.00 0.00 C ATOM 210 O ASP A 14 -23.246 -17.379 -14.762 1.00 0.00 O ATOM 211 CB ASP A 14 -24.055 -18.336 -11.895 1.00 0.00 C ATOM 212 CG ASP A 14 -25.322 -18.287 -12.727 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.979 -17.225 -12.746 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.655 -19.310 -13.361 1.00 0.00 O ATOM 0 H ASP A 14 -24.549 -15.918 -12.392 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.136 -17.387 -11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.638 -19.342 -11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.300 -18.132 -10.853 1.00 0.00 H new ATOM 219 N TYR A 15 -21.397 -18.324 -13.896 1.00 0.00 N ATOM 220 CA TYR A 15 -20.855 -18.712 -15.193 1.00 0.00 C ATOM 221 C TYR A 15 -20.366 -20.157 -15.169 1.00 0.00 C ATOM 222 O TYR A 15 -20.304 -20.784 -14.112 1.00 0.00 O ATOM 223 CB TYR A 15 -19.709 -17.780 -15.590 1.00 0.00 C ATOM 224 CG TYR A 15 -19.533 -17.640 -17.085 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.558 -17.148 -17.883 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.340 -18.000 -17.700 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.402 -17.020 -19.249 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.174 -17.874 -19.066 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.208 -17.383 -19.836 1.00 0.00 C ATOM 230 OH TYR A 15 -19.047 -17.256 -21.197 1.00 0.00 O ATOM 0 H TYR A 15 -20.815 -18.585 -13.100 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.653 -18.630 -15.931 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.888 -16.795 -15.160 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.781 -18.154 -15.157 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.494 -16.860 -17.427 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.529 -18.385 -17.100 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.211 -16.638 -19.854 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.240 -18.158 -19.528 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.148 -17.554 -21.449 1.00 0.00 H new ATOM 240 N GLN A 16 -20.018 -20.677 -16.342 1.00 0.00 N ATOM 241 CA GLN A 16 -19.534 -22.047 -16.456 1.00 0.00 C ATOM 242 C GLN A 16 -18.290 -22.114 -17.336 1.00 0.00 C ATOM 243 O GLN A 16 -18.126 -21.313 -18.255 1.00 0.00 O ATOM 244 CB GLN A 16 -20.627 -22.951 -17.028 1.00 0.00 C ATOM 245 CG GLN A 16 -21.514 -23.581 -15.966 1.00 0.00 C ATOM 246 CD GLN A 16 -22.798 -24.147 -16.539 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.735 -23.408 -16.844 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.850 -25.466 -16.689 1.00 0.00 N ATOM 0 H GLN A 16 -20.062 -20.170 -17.226 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.270 -22.396 -15.458 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.248 -22.370 -17.710 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.162 -23.742 -17.617 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.963 -24.376 -15.463 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.756 -22.834 -15.210 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.051 -26.041 -16.423 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.689 -25.903 -17.070 1.00 0.00 H new ATOM 257 N GLU A 17 -17.417 -23.073 -17.047 1.00 0.00 N ATOM 258 CA GLU A 17 -16.187 -23.242 -17.812 1.00 0.00 C ATOM 259 C GLU A 17 -16.478 -23.853 -19.180 1.00 0.00 C ATOM 260 O GLU A 17 -16.223 -25.035 -19.413 1.00 0.00 O ATOM 261 CB GLU A 17 -15.201 -24.127 -17.046 1.00 0.00 C ATOM 262 CG GLU A 17 -15.798 -25.445 -16.583 1.00 0.00 C ATOM 263 CD GLU A 17 -14.803 -26.587 -16.637 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.626 -26.365 -16.285 1.00 0.00 O ATOM 265 OE2 GLU A 17 -15.201 -27.703 -17.031 1.00 0.00 O ATOM 0 H GLU A 17 -17.538 -23.745 -16.289 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.742 -22.258 -17.959 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.340 -24.332 -17.682 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.833 -23.580 -16.178 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.164 -25.335 -15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.659 -25.688 -17.206 1.00 0.00 H new ATOM 272 N LYS A 18 -17.013 -23.038 -20.083 1.00 0.00 N ATOM 273 CA LYS A 18 -17.338 -23.494 -21.429 1.00 0.00 C ATOM 274 C LYS A 18 -16.083 -23.951 -22.167 1.00 0.00 C ATOM 275 O LYS A 18 -16.153 -24.772 -23.081 1.00 0.00 O ATOM 276 CB LYS A 18 -18.028 -22.378 -22.216 1.00 0.00 C ATOM 277 CG LYS A 18 -18.391 -22.771 -23.638 1.00 0.00 C ATOM 278 CD LYS A 18 -19.481 -21.875 -24.202 1.00 0.00 C ATOM 279 CE LYS A 18 -20.867 -22.418 -23.888 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.918 -21.374 -24.037 1.00 0.00 N ATOM 0 H LYS A 18 -17.231 -22.057 -19.907 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.017 -24.342 -21.344 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.934 -22.079 -21.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.373 -21.507 -22.245 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.505 -22.711 -24.271 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.726 -23.808 -23.656 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.380 -20.872 -23.788 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.359 -21.788 -25.282 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.089 -23.254 -24.552 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.883 -22.807 -22.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.848 -21.783 -23.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.721 -20.588 -23.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.920 -21.021 -25.015 1.00 0.00 H new ATOM 294 N SER A 19 -14.936 -23.413 -21.763 1.00 0.00 N ATOM 295 CA SER A 19 -13.666 -23.764 -22.388 1.00 0.00 C ATOM 296 C SER A 19 -12.735 -24.438 -21.384 1.00 0.00 C ATOM 297 O SER A 19 -12.906 -24.330 -20.170 1.00 0.00 O ATOM 298 CB SER A 19 -12.995 -22.516 -22.964 1.00 0.00 C ATOM 299 OG SER A 19 -13.421 -21.348 -22.284 1.00 0.00 O ATOM 0 H SER A 19 -14.860 -22.733 -21.006 1.00 0.00 H new ATOM 0 HA SER A 19 -13.869 -24.465 -23.197 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.912 -22.612 -22.885 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.231 -22.429 -24.025 1.00 0.00 H new ATOM 0 HG SER A 19 -13.382 -20.582 -22.894 1.00 0.00 H new ATOM 305 N PRO A 20 -11.724 -25.151 -21.903 1.00 0.00 N ATOM 306 CA PRO A 20 -10.745 -25.857 -21.071 1.00 0.00 C ATOM 307 C PRO A 20 -9.818 -24.900 -20.329 1.00 0.00 C ATOM 308 O PRO A 20 -9.043 -25.315 -19.467 1.00 0.00 O ATOM 309 CB PRO A 20 -9.954 -26.690 -22.083 1.00 0.00 C ATOM 310 CG PRO A 20 -10.095 -25.954 -23.371 1.00 0.00 C ATOM 311 CD PRO A 20 -11.460 -25.323 -23.341 1.00 0.00 C ATOM 0 HA PRO A 20 -11.224 -26.450 -20.292 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.908 -26.780 -21.791 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.351 -27.702 -22.160 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.318 -25.197 -23.475 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.997 -26.631 -24.220 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.474 -24.370 -23.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.208 -25.960 -23.814 1.00 0.00 H new ATOM 319 N ARG A 21 -9.904 -23.618 -20.668 1.00 0.00 N ATOM 320 CA ARG A 21 -9.072 -22.602 -20.034 1.00 0.00 C ATOM 321 C ARG A 21 -9.902 -21.724 -19.103 1.00 0.00 C ATOM 322 O ARG A 21 -9.364 -21.062 -18.216 1.00 0.00 O ATOM 323 CB ARG A 21 -8.389 -21.737 -21.095 1.00 0.00 C ATOM 324 CG ARG A 21 -7.367 -22.491 -21.930 1.00 0.00 C ATOM 325 CD ARG A 21 -7.269 -21.921 -23.337 1.00 0.00 C ATOM 326 NE ARG A 21 -6.150 -22.492 -24.082 1.00 0.00 N ATOM 327 CZ ARG A 21 -5.995 -22.357 -25.394 1.00 0.00 C ATOM 328 NH1 ARG A 21 -6.883 -21.673 -26.103 1.00 0.00 N ATOM 329 NH2 ARG A 21 -4.950 -22.906 -26.000 1.00 0.00 N ATOM 0 H ARG A 21 -10.541 -23.258 -21.378 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.309 -23.109 -19.443 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.149 -21.320 -21.756 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.897 -20.897 -20.605 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.391 -22.440 -21.447 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.643 -23.544 -21.981 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.198 -22.116 -23.873 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.153 -20.839 -23.282 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.449 -23.024 -23.566 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.687 -21.249 -25.641 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.762 -21.571 -27.111 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.265 -23.432 -25.458 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.832 -22.802 -27.008 1.00 0.00 H new ATOM 343 N GLU A 22 -11.215 -21.723 -19.311 1.00 0.00 N ATOM 344 CA GLU A 22 -12.118 -20.925 -18.491 1.00 0.00 C ATOM 345 C GLU A 22 -12.523 -21.685 -17.231 1.00 0.00 C ATOM 346 O GLU A 22 -12.572 -22.915 -17.223 1.00 0.00 O ATOM 347 CB GLU A 22 -13.364 -20.541 -19.291 1.00 0.00 C ATOM 348 CG GLU A 22 -13.212 -19.245 -20.069 1.00 0.00 C ATOM 349 CD GLU A 22 -14.354 -19.009 -21.039 1.00 0.00 C ATOM 350 OE1 GLU A 22 -15.512 -19.297 -20.673 1.00 0.00 O ATOM 351 OE2 GLU A 22 -14.088 -18.537 -22.164 1.00 0.00 O ATOM 0 H GLU A 22 -11.677 -22.266 -20.041 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.592 -20.018 -18.194 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.602 -21.346 -19.986 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.209 -20.449 -18.609 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.156 -18.411 -19.370 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.271 -19.264 -20.619 1.00 0.00 H new ATOM 358 N VAL A 23 -12.813 -20.942 -16.167 1.00 0.00 N ATOM 359 CA VAL A 23 -13.214 -21.544 -14.901 1.00 0.00 C ATOM 360 C VAL A 23 -14.651 -21.176 -14.548 1.00 0.00 C ATOM 361 O VAL A 23 -15.207 -20.215 -15.083 1.00 0.00 O ATOM 362 CB VAL A 23 -12.287 -21.106 -13.752 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.947 -21.820 -13.845 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.098 -19.597 -13.766 1.00 0.00 C ATOM 0 H VAL A 23 -12.778 -19.923 -16.157 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.139 -22.624 -15.027 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.754 -21.382 -12.807 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.305 -21.498 -13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.103 -22.897 -13.782 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.471 -21.578 -14.795 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.440 -19.305 -12.947 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.653 -19.295 -14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.065 -19.108 -13.647 1.00 0.00 H new ATOM 374 N THR A 24 -15.249 -21.945 -13.644 1.00 0.00 N ATOM 375 CA THR A 24 -16.622 -21.701 -13.220 1.00 0.00 C ATOM 376 C THR A 24 -16.672 -20.702 -12.070 1.00 0.00 C ATOM 377 O THR A 24 -15.969 -20.855 -11.072 1.00 0.00 O ATOM 378 CB THR A 24 -17.315 -23.005 -12.783 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.169 -24.002 -13.800 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.792 -22.767 -12.508 1.00 0.00 C ATOM 0 H THR A 24 -14.804 -22.743 -13.191 1.00 0.00 H new ATOM 0 HA THR A 24 -17.150 -21.288 -14.080 1.00 0.00 H new ATOM 0 HB THR A 24 -16.842 -23.352 -11.864 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.611 -24.829 -13.514 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.260 -23.702 -12.201 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.900 -22.029 -11.713 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.276 -22.399 -13.413 1.00 0.00 H new ATOM 388 N MET A 25 -17.508 -19.679 -12.217 1.00 0.00 N ATOM 389 CA MET A 25 -17.651 -18.655 -11.189 1.00 0.00 C ATOM 390 C MET A 25 -19.097 -18.560 -10.714 1.00 0.00 C ATOM 391 O MET A 25 -20.031 -18.694 -11.505 1.00 0.00 O ATOM 392 CB MET A 25 -17.186 -17.298 -11.721 1.00 0.00 C ATOM 393 CG MET A 25 -17.704 -16.983 -13.115 1.00 0.00 C ATOM 394 SD MET A 25 -17.685 -15.217 -13.480 1.00 0.00 S ATOM 395 CE MET A 25 -15.998 -14.800 -13.046 1.00 0.00 C ATOM 0 H MET A 25 -18.096 -19.537 -13.038 1.00 0.00 H new ATOM 0 HA MET A 25 -17.027 -18.937 -10.341 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.513 -16.516 -11.035 1.00 0.00 H new ATOM 0 HB3 MET A 25 -16.096 -17.276 -11.733 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.097 -17.509 -13.852 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.722 -17.360 -13.214 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.990 -14.251 -12.104 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.413 -15.714 -12.939 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.563 -14.181 -13.830 1.00 0.00 H new ATOM 405 N LYS A 26 -19.276 -18.327 -9.418 1.00 0.00 N ATOM 406 CA LYS A 26 -20.608 -18.213 -8.837 1.00 0.00 C ATOM 407 C LYS A 26 -20.897 -16.775 -8.417 1.00 0.00 C ATOM 408 O LYS A 26 -20.040 -16.100 -7.846 1.00 0.00 O ATOM 409 CB LYS A 26 -20.743 -19.144 -7.631 1.00 0.00 C ATOM 410 CG LYS A 26 -22.160 -19.240 -7.091 1.00 0.00 C ATOM 411 CD LYS A 26 -22.250 -20.216 -5.930 1.00 0.00 C ATOM 412 CE LYS A 26 -23.425 -19.893 -5.020 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.851 -21.077 -4.224 1.00 0.00 N ATOM 0 H LYS A 26 -18.514 -18.213 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.334 -18.505 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.402 -20.140 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.084 -18.794 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.494 -18.255 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.833 -19.558 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.354 -21.231 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.324 -20.186 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.150 -19.082 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.263 -19.538 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -24.654 -20.816 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.138 -21.843 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.060 -21.400 -3.632 1.00 0.00 H new ATOM 427 N LYS A 27 -22.109 -16.312 -8.703 1.00 0.00 N ATOM 428 CA LYS A 27 -22.513 -14.955 -8.353 1.00 0.00 C ATOM 429 C LYS A 27 -22.243 -14.671 -6.879 1.00 0.00 C ATOM 430 O LYS A 27 -22.893 -15.233 -5.999 1.00 0.00 O ATOM 431 CB LYS A 27 -23.998 -14.748 -8.659 1.00 0.00 C ATOM 432 CG LYS A 27 -24.902 -15.784 -8.016 1.00 0.00 C ATOM 433 CD LYS A 27 -26.288 -15.779 -8.638 1.00 0.00 C ATOM 434 CE LYS A 27 -27.045 -14.502 -8.304 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.677 -14.569 -6.957 1.00 0.00 N ATOM 0 H LYS A 27 -22.829 -16.857 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.924 -14.261 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.296 -13.757 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.144 -14.771 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.457 -16.773 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.981 -15.585 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.203 -15.880 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.851 -16.641 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.362 -13.654 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.813 -14.327 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.183 -13.681 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.348 -15.363 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.942 -14.710 -6.235 1.00 0.00 H new ATOM 449 N GLY A 28 -21.280 -13.792 -6.617 1.00 0.00 N ATOM 450 CA GLY A 28 -20.942 -13.448 -5.248 1.00 0.00 C ATOM 451 C GLY A 28 -19.664 -14.116 -4.781 1.00 0.00 C ATOM 452 O GLY A 28 -19.342 -14.091 -3.593 1.00 0.00 O ATOM 0 H GLY A 28 -20.728 -13.312 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.835 -12.367 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.761 -13.739 -4.591 1.00 0.00 H new ATOM 456 N ASP A 29 -18.936 -14.716 -5.715 1.00 0.00 N ATOM 457 CA ASP A 29 -17.687 -15.395 -5.392 1.00 0.00 C ATOM 458 C ASP A 29 -16.487 -14.509 -5.713 1.00 0.00 C ATOM 459 O ASP A 29 -16.392 -13.949 -6.806 1.00 0.00 O ATOM 460 CB ASP A 29 -17.583 -16.713 -6.163 1.00 0.00 C ATOM 461 CG ASP A 29 -16.418 -17.564 -5.700 1.00 0.00 C ATOM 462 OD1 ASP A 29 -15.712 -17.143 -4.760 1.00 0.00 O ATOM 463 OD2 ASP A 29 -16.212 -18.652 -6.278 1.00 0.00 O ATOM 0 H ASP A 29 -19.189 -14.746 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.684 -15.607 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.509 -17.275 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.474 -16.501 -7.227 1.00 0.00 H new ATOM 468 N ILE A 30 -15.576 -14.385 -4.754 1.00 0.00 N ATOM 469 CA ILE A 30 -14.384 -13.566 -4.935 1.00 0.00 C ATOM 470 C ILE A 30 -13.194 -14.416 -5.367 1.00 0.00 C ATOM 471 O ILE A 30 -12.937 -15.478 -4.798 1.00 0.00 O ATOM 472 CB ILE A 30 -14.019 -12.810 -3.644 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.241 -12.068 -3.098 1.00 0.00 C ATOM 474 CG2 ILE A 30 -12.877 -11.839 -3.904 1.00 0.00 C ATOM 475 CD1 ILE A 30 -14.970 -11.322 -1.811 1.00 0.00 C ATOM 0 H ILE A 30 -15.640 -14.841 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.614 -12.842 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.693 -13.534 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.593 -11.362 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.046 -12.784 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.630 -11.312 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.003 -12.390 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.178 -11.118 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.880 -10.820 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.647 -12.026 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.187 -10.582 -1.977 1.00 0.00 H new ATOM 487 N LEU A 31 -12.469 -13.941 -6.374 1.00 0.00 N ATOM 488 CA LEU A 31 -11.304 -14.657 -6.882 1.00 0.00 C ATOM 489 C LEU A 31 -10.082 -13.745 -6.925 1.00 0.00 C ATOM 490 O LEU A 31 -10.202 -12.522 -6.850 1.00 0.00 O ATOM 491 CB LEU A 31 -11.590 -15.212 -8.278 1.00 0.00 C ATOM 492 CG LEU A 31 -12.995 -15.771 -8.503 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.093 -16.434 -9.869 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.359 -16.756 -7.403 1.00 0.00 C ATOM 0 H LEU A 31 -12.667 -13.063 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.093 -15.485 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.415 -14.419 -9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.869 -16.002 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.704 -14.944 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.100 -16.826 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.876 -15.701 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.374 -17.251 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.362 -17.144 -7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.646 -17.581 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.330 -16.251 -6.438 1.00 0.00 H new ATOM 506 N THR A 32 -8.903 -14.349 -7.048 1.00 0.00 N ATOM 507 CA THR A 32 -7.659 -13.592 -7.102 1.00 0.00 C ATOM 508 C THR A 32 -7.325 -13.186 -8.533 1.00 0.00 C ATOM 509 O THR A 32 -7.306 -14.021 -9.438 1.00 0.00 O ATOM 510 CB THR A 32 -6.484 -14.401 -6.522 1.00 0.00 C ATOM 511 OG1 THR A 32 -6.903 -15.100 -5.345 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.312 -13.490 -6.187 1.00 0.00 C ATOM 0 H THR A 32 -8.785 -15.360 -7.112 1.00 0.00 H new ATOM 0 HA THR A 32 -7.807 -12.697 -6.498 1.00 0.00 H new ATOM 0 HB THR A 32 -6.161 -15.120 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.150 -15.613 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.494 -14.084 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.976 -12.982 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.625 -12.750 -5.451 1.00 0.00 H new ATOM 520 N LEU A 33 -7.060 -11.899 -8.731 1.00 0.00 N ATOM 521 CA LEU A 33 -6.725 -11.381 -10.053 1.00 0.00 C ATOM 522 C LEU A 33 -5.359 -11.886 -10.505 1.00 0.00 C ATOM 523 O LEU A 33 -4.386 -11.839 -9.750 1.00 0.00 O ATOM 524 CB LEU A 33 -6.738 -9.852 -10.042 1.00 0.00 C ATOM 525 CG LEU A 33 -6.074 -9.166 -11.236 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.607 -9.735 -12.542 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.295 -7.662 -11.178 1.00 0.00 C ATOM 0 H LEU A 33 -7.071 -11.195 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.476 -11.739 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.774 -9.518 -9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.244 -9.511 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.002 -9.357 -11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.123 -9.235 -13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.397 -10.804 -12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.684 -9.575 -12.596 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.815 -7.190 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.364 -7.450 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.864 -7.266 -10.258 1.00 0.00 H new ATOM 539 N LEU A 34 -5.291 -12.367 -11.741 1.00 0.00 N ATOM 540 CA LEU A 34 -4.043 -12.879 -12.296 1.00 0.00 C ATOM 541 C LEU A 34 -3.656 -12.119 -13.561 1.00 0.00 C ATOM 542 O LEU A 34 -2.508 -11.710 -13.724 1.00 0.00 O ATOM 543 CB LEU A 34 -4.173 -14.372 -12.605 1.00 0.00 C ATOM 544 CG LEU A 34 -3.764 -15.328 -11.484 1.00 0.00 C ATOM 545 CD1 LEU A 34 -2.297 -15.138 -11.129 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.642 -15.120 -10.259 1.00 0.00 C ATOM 0 H LEU A 34 -6.086 -12.413 -12.378 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.259 -12.734 -11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.210 -14.578 -12.871 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.568 -14.595 -13.484 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.902 -16.350 -11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.024 -15.827 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.682 -15.338 -12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.133 -14.113 -10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.337 -15.809 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.536 -14.094 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.683 -15.308 -10.521 1.00 0.00 H new ATOM 558 N ASN A 35 -4.625 -11.930 -14.451 1.00 0.00 N ATOM 559 CA ASN A 35 -4.386 -11.216 -15.700 1.00 0.00 C ATOM 560 C ASN A 35 -5.529 -10.252 -16.002 1.00 0.00 C ATOM 561 O ASN A 35 -6.697 -10.641 -16.014 1.00 0.00 O ATOM 562 CB ASN A 35 -4.222 -12.207 -16.855 1.00 0.00 C ATOM 563 CG ASN A 35 -3.448 -11.617 -18.017 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.107 -10.769 -18.797 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.270 -11.921 -18.211 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.582 -12.261 -14.331 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.467 -10.640 -15.590 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.708 -13.098 -16.495 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.206 -12.524 -17.201 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.803 -12.577 -17.585 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.762 -11.516 -18.997 1.00 0.00 H new ATOM 572 N SER A 36 -5.183 -8.991 -16.246 1.00 0.00 N ATOM 573 CA SER A 36 -6.180 -7.970 -16.545 1.00 0.00 C ATOM 574 C SER A 36 -5.767 -7.148 -17.762 1.00 0.00 C ATOM 575 O SER A 36 -6.141 -5.982 -17.896 1.00 0.00 O ATOM 576 CB SER A 36 -6.377 -7.051 -15.338 1.00 0.00 C ATOM 577 OG SER A 36 -5.163 -6.874 -14.628 1.00 0.00 O ATOM 0 H SER A 36 -4.221 -8.653 -16.242 1.00 0.00 H new ATOM 0 HA SER A 36 -7.122 -8.471 -16.769 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.751 -6.083 -15.671 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.132 -7.474 -14.675 1.00 0.00 H new ATOM 0 HG SER A 36 -5.274 -6.163 -13.963 1.00 0.00 H new ATOM 583 N THR A 37 -4.991 -7.763 -18.649 1.00 0.00 N ATOM 584 CA THR A 37 -4.525 -7.090 -19.854 1.00 0.00 C ATOM 585 C THR A 37 -5.452 -7.368 -21.032 1.00 0.00 C ATOM 586 O THR A 37 -5.049 -7.260 -22.190 1.00 0.00 O ATOM 587 CB THR A 37 -3.096 -7.529 -20.226 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.105 -8.880 -20.700 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.166 -7.413 -19.028 1.00 0.00 C ATOM 0 H THR A 37 -4.672 -8.727 -18.555 1.00 0.00 H new ATOM 0 HA THR A 37 -4.525 -6.021 -19.639 1.00 0.00 H new ATOM 0 HB THR A 37 -2.732 -6.871 -21.015 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.457 -9.470 -20.001 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.163 -7.728 -19.314 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.138 -6.378 -18.688 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.530 -8.050 -18.222 1.00 0.00 H new ATOM 597 N ASN A 38 -6.696 -7.726 -20.729 1.00 0.00 N ATOM 598 CA ASN A 38 -7.680 -8.019 -21.764 1.00 0.00 C ATOM 599 C ASN A 38 -9.087 -7.659 -21.295 1.00 0.00 C ATOM 600 O ASN A 38 -9.726 -8.421 -20.570 1.00 0.00 O ATOM 601 CB ASN A 38 -7.622 -9.499 -22.148 1.00 0.00 C ATOM 602 CG ASN A 38 -7.496 -9.704 -23.645 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.600 -10.405 -24.114 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.397 -9.090 -24.404 1.00 0.00 N ATOM 0 H ASN A 38 -7.046 -7.820 -19.775 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.441 -7.414 -22.639 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.775 -9.968 -21.647 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.522 -10.000 -21.790 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.363 -9.190 -25.418 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.123 -8.518 -23.972 1.00 0.00 H new ATOM 611 N LYS A 39 -9.563 -6.492 -21.714 1.00 0.00 N ATOM 612 CA LYS A 39 -10.894 -6.029 -21.339 1.00 0.00 C ATOM 613 C LYS A 39 -11.938 -7.111 -21.595 1.00 0.00 C ATOM 614 O LYS A 39 -12.942 -7.198 -20.888 1.00 0.00 O ATOM 615 CB LYS A 39 -11.255 -4.763 -22.119 1.00 0.00 C ATOM 616 CG LYS A 39 -10.165 -3.705 -22.099 1.00 0.00 C ATOM 617 CD LYS A 39 -10.718 -2.329 -22.429 1.00 0.00 C ATOM 618 CE LYS A 39 -9.703 -1.235 -22.135 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.660 -1.147 -23.193 1.00 0.00 N ATOM 0 H LYS A 39 -9.047 -5.849 -22.314 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.885 -5.801 -20.273 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.469 -5.032 -23.153 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.169 -4.339 -21.704 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.696 -3.683 -21.115 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.388 -3.968 -22.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.000 -2.292 -23.481 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.624 -2.151 -21.850 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.216 -0.277 -22.050 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.229 -1.429 -21.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.988 -0.390 -22.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.153 -2.053 -23.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.109 -0.937 -24.107 1.00 0.00 H new ATOM 633 N ASP A 40 -11.694 -7.934 -22.609 1.00 0.00 N ATOM 634 CA ASP A 40 -12.612 -9.013 -22.957 1.00 0.00 C ATOM 635 C ASP A 40 -12.704 -10.034 -21.827 1.00 0.00 C ATOM 636 O ASP A 40 -13.720 -10.121 -21.137 1.00 0.00 O ATOM 637 CB ASP A 40 -12.161 -9.700 -24.247 1.00 0.00 C ATOM 638 CG ASP A 40 -12.187 -8.765 -25.440 1.00 0.00 C ATOM 639 OD1 ASP A 40 -11.316 -7.873 -25.515 1.00 0.00 O ATOM 640 OD2 ASP A 40 -13.079 -8.927 -26.300 1.00 0.00 O ATOM 0 H ASP A 40 -10.868 -7.875 -23.205 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.600 -8.580 -23.112 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.151 -10.088 -24.115 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.807 -10.555 -24.445 1.00 0.00 H new ATOM 645 N TRP A 41 -11.637 -10.803 -21.645 1.00 0.00 N ATOM 646 CA TRP A 41 -11.598 -11.819 -20.599 1.00 0.00 C ATOM 647 C TRP A 41 -10.489 -11.525 -19.595 1.00 0.00 C ATOM 648 O TRP A 41 -9.461 -10.944 -19.945 1.00 0.00 O ATOM 649 CB TRP A 41 -11.392 -13.205 -21.213 1.00 0.00 C ATOM 650 CG TRP A 41 -12.327 -13.497 -22.348 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.226 -13.041 -23.631 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.506 -14.308 -22.300 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.270 -13.520 -24.384 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.069 -14.300 -23.591 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.139 -15.041 -21.293 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.235 -14.996 -23.898 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.296 -15.732 -21.600 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.834 -15.706 -22.893 1.00 0.00 C ATOM 0 H TRP A 41 -10.788 -10.743 -22.207 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.553 -11.800 -20.073 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.365 -13.288 -21.567 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.525 -13.961 -20.439 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.440 -12.398 -24.000 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.425 -13.326 -25.373 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.732 -15.067 -20.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.652 -14.976 -24.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.794 -16.302 -20.829 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.739 -16.257 -23.101 1.00 0.00 H new ATOM 669 N TRP A 42 -10.703 -11.929 -18.349 1.00 0.00 N ATOM 670 CA TRP A 42 -9.719 -11.707 -17.294 1.00 0.00 C ATOM 671 C TRP A 42 -9.338 -13.021 -16.621 1.00 0.00 C ATOM 672 O TRP A 42 -10.186 -13.887 -16.402 1.00 0.00 O ATOM 673 CB TRP A 42 -10.267 -10.728 -16.255 1.00 0.00 C ATOM 674 CG TRP A 42 -10.259 -9.303 -16.720 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.506 -8.774 -17.730 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.038 -8.224 -16.192 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.770 -7.432 -17.860 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.707 -7.071 -16.929 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.985 -8.121 -15.169 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.289 -5.832 -16.674 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.561 -6.891 -14.916 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.213 -5.760 -15.667 1.00 0.00 C ATOM 0 H TRP A 42 -11.548 -12.412 -18.043 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.825 -11.280 -17.749 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.287 -11.014 -16.000 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.676 -10.808 -15.343 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.806 -9.329 -18.337 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.338 -6.806 -18.540 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.261 -8.988 -14.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.021 -4.959 -17.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.292 -6.799 -14.126 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.683 -4.813 -15.447 1.00 0.00 H new ATOM 693 N LYS A 43 -8.058 -13.164 -16.294 1.00 0.00 N ATOM 694 CA LYS A 43 -7.565 -14.372 -15.644 1.00 0.00 C ATOM 695 C LYS A 43 -7.648 -14.246 -14.126 1.00 0.00 C ATOM 696 O LYS A 43 -7.137 -13.290 -13.544 1.00 0.00 O ATOM 697 CB LYS A 43 -6.119 -14.648 -16.065 1.00 0.00 C ATOM 698 CG LYS A 43 -5.699 -16.097 -15.885 1.00 0.00 C ATOM 699 CD LYS A 43 -4.210 -16.279 -16.123 1.00 0.00 C ATOM 700 CE LYS A 43 -3.711 -17.597 -15.551 1.00 0.00 C ATOM 701 NZ LYS A 43 -4.280 -18.767 -16.275 1.00 0.00 N ATOM 0 H LYS A 43 -7.343 -12.458 -16.469 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.194 -15.205 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.995 -14.370 -17.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.452 -14.010 -15.484 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.950 -16.427 -14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.259 -16.728 -16.576 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.005 -16.245 -17.193 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.664 -15.453 -15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.623 -17.629 -15.608 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.977 -17.659 -14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.876 -19.320 -15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.856 -18.434 -17.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.507 -19.365 -16.630 1.00 0.00 H new ATOM 715 N VAL A 44 -8.295 -15.219 -13.491 1.00 0.00 N ATOM 716 CA VAL A 44 -8.443 -15.217 -12.040 1.00 0.00 C ATOM 717 C VAL A 44 -8.049 -16.565 -11.447 1.00 0.00 C ATOM 718 O VAL A 44 -7.817 -17.530 -12.174 1.00 0.00 O ATOM 719 CB VAL A 44 -9.889 -14.888 -11.624 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.260 -13.477 -12.054 1.00 0.00 C ATOM 721 CG2 VAL A 44 -10.856 -15.905 -12.210 1.00 0.00 C ATOM 0 H VAL A 44 -8.724 -16.018 -13.958 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.778 -14.445 -11.654 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.957 -14.941 -10.537 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.285 -13.262 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.585 -12.763 -11.581 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.176 -13.393 -13.138 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.873 -15.657 -11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.788 -15.887 -13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.601 -16.901 -11.847 1.00 0.00 H new ATOM 731 N GLU A 45 -7.977 -16.623 -10.121 1.00 0.00 N ATOM 732 CA GLU A 45 -7.611 -17.854 -9.429 1.00 0.00 C ATOM 733 C GLU A 45 -8.611 -18.175 -8.322 1.00 0.00 C ATOM 734 O GLU A 45 -9.052 -17.287 -7.592 1.00 0.00 O ATOM 735 CB GLU A 45 -6.203 -17.735 -8.841 1.00 0.00 C ATOM 736 CG GLU A 45 -5.731 -18.994 -8.134 1.00 0.00 C ATOM 737 CD GLU A 45 -4.246 -18.970 -7.829 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.446 -18.857 -8.781 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.884 -19.064 -6.637 1.00 0.00 O ATOM 0 H GLU A 45 -8.167 -15.833 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.627 -18.667 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.503 -17.494 -9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.181 -16.903 -8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.287 -19.114 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.957 -19.861 -8.755 1.00 0.00 H new ATOM 746 N VAL A 46 -8.966 -19.450 -8.205 1.00 0.00 N ATOM 747 CA VAL A 46 -9.913 -19.890 -7.187 1.00 0.00 C ATOM 748 C VAL A 46 -9.340 -21.035 -6.361 1.00 0.00 C ATOM 749 O VAL A 46 -8.240 -21.519 -6.628 1.00 0.00 O ATOM 750 CB VAL A 46 -11.244 -20.341 -7.818 1.00 0.00 C ATOM 751 CG1 VAL A 46 -11.819 -19.241 -8.697 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.049 -21.623 -8.612 1.00 0.00 C ATOM 0 H VAL A 46 -8.612 -20.197 -8.803 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.099 -19.036 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.956 -20.541 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.759 -19.578 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.998 -18.350 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.113 -19.005 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.999 -21.927 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.321 -21.453 -9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.687 -22.409 -7.950 1.00 0.00 H new ATOM 762 N LYS A 47 -10.094 -21.467 -5.356 1.00 0.00 N ATOM 763 CA LYS A 47 -9.664 -22.558 -4.489 1.00 0.00 C ATOM 764 C LYS A 47 -10.850 -23.419 -4.069 1.00 0.00 C ATOM 765 O LYS A 47 -11.951 -22.913 -3.853 1.00 0.00 O ATOM 766 CB LYS A 47 -8.957 -22.004 -3.250 1.00 0.00 C ATOM 767 CG LYS A 47 -9.905 -21.397 -2.230 1.00 0.00 C ATOM 768 CD LYS A 47 -9.288 -20.189 -1.546 1.00 0.00 C ATOM 769 CE LYS A 47 -8.295 -20.603 -0.471 1.00 0.00 C ATOM 770 NZ LYS A 47 -7.357 -19.499 -0.127 1.00 0.00 N ATOM 0 H LYS A 47 -11.007 -21.078 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.967 -23.181 -5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.391 -22.806 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.237 -21.247 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.832 -21.103 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.165 -22.146 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.785 -19.568 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.075 -19.580 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.836 -20.912 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.727 -21.468 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.697 -19.821 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.822 -19.221 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.896 -18.682 0.225 1.00 0.00 H new ATOM 784 N ALA A 48 -10.618 -24.723 -3.953 1.00 0.00 N ATOM 785 CA ALA A 48 -11.667 -25.653 -3.555 1.00 0.00 C ATOM 786 C ALA A 48 -11.892 -25.615 -2.047 1.00 0.00 C ATOM 787 O ALA A 48 -11.250 -24.844 -1.333 1.00 0.00 O ATOM 788 CB ALA A 48 -11.318 -27.065 -4.003 1.00 0.00 C ATOM 0 H ALA A 48 -9.713 -25.159 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.593 -25.347 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.110 -27.749 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.215 -27.088 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.378 -27.371 -3.543 1.00 0.00 H new ATOM 794 N THR A 49 -12.808 -26.450 -1.568 1.00 0.00 N ATOM 795 CA THR A 49 -13.119 -26.510 -0.146 1.00 0.00 C ATOM 796 C THR A 49 -13.500 -27.925 0.275 1.00 0.00 C ATOM 797 O THR A 49 -14.611 -28.383 0.010 1.00 0.00 O ATOM 798 CB THR A 49 -14.268 -25.551 0.219 1.00 0.00 C ATOM 799 OG1 THR A 49 -14.117 -24.315 -0.488 1.00 0.00 O ATOM 800 CG2 THR A 49 -14.295 -25.285 1.716 1.00 0.00 C ATOM 0 H THR A 49 -13.348 -27.095 -2.145 1.00 0.00 H new ATOM 0 HA THR A 49 -12.218 -26.206 0.387 1.00 0.00 H new ATOM 0 HB THR A 49 -15.209 -26.020 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.852 -23.711 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.114 -24.605 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.439 -26.224 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.351 -24.834 2.023 1.00 0.00 H new ATOM 808 N ALA A 50 -12.572 -28.613 0.931 1.00 0.00 N ATOM 809 CA ALA A 50 -12.812 -29.975 1.391 1.00 0.00 C ATOM 810 C ALA A 50 -12.933 -30.028 2.910 1.00 0.00 C ATOM 811 O ALA A 50 -12.915 -28.997 3.580 1.00 0.00 O ATOM 812 CB ALA A 50 -11.700 -30.897 0.915 1.00 0.00 C ATOM 0 H ALA A 50 -11.646 -28.249 1.156 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.756 -30.315 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.893 -31.911 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.664 -30.891 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.746 -30.551 1.312 1.00 0.00 H new ATOM 818 N ASN A 51 -13.056 -31.238 3.447 1.00 0.00 N ATOM 819 CA ASN A 51 -13.181 -31.425 4.888 1.00 0.00 C ATOM 820 C ASN A 51 -12.063 -30.699 5.630 1.00 0.00 C ATOM 821 O ASN A 51 -12.320 -29.878 6.511 1.00 0.00 O ATOM 822 CB ASN A 51 -13.153 -32.916 5.234 1.00 0.00 C ATOM 823 CG ASN A 51 -12.093 -33.670 4.455 1.00 0.00 C ATOM 824 OD1 ASN A 51 -10.952 -33.797 4.902 1.00 0.00 O ATOM 825 ND2 ASN A 51 -12.465 -34.175 3.285 1.00 0.00 N ATOM 0 H ASN A 51 -13.072 -32.103 2.906 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.136 -31.003 5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.969 -33.035 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.130 -33.352 5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.795 -34.693 2.717 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.421 -34.045 2.954 1.00 0.00 H new ATOM 832 N ASP A 52 -10.823 -31.007 5.267 1.00 0.00 N ATOM 833 CA ASP A 52 -9.665 -30.382 5.897 1.00 0.00 C ATOM 834 C ASP A 52 -8.570 -30.107 4.870 1.00 0.00 C ATOM 835 O ASP A 52 -7.396 -29.979 5.217 1.00 0.00 O ATOM 836 CB ASP A 52 -9.121 -31.276 7.013 1.00 0.00 C ATOM 837 CG ASP A 52 -8.388 -30.487 8.081 1.00 0.00 C ATOM 838 OD1 ASP A 52 -8.293 -29.249 7.944 1.00 0.00 O ATOM 839 OD2 ASP A 52 -7.911 -31.107 9.053 1.00 0.00 O ATOM 0 H ASP A 52 -10.593 -31.685 4.540 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.984 -29.432 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.945 -31.823 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.446 -32.017 6.585 1.00 0.00 H new ATOM 844 N LYS A 53 -8.963 -30.019 3.604 1.00 0.00 N ATOM 845 CA LYS A 53 -8.017 -29.758 2.525 1.00 0.00 C ATOM 846 C LYS A 53 -8.528 -28.651 1.609 1.00 0.00 C ATOM 847 O LYS A 53 -9.733 -28.417 1.512 1.00 0.00 O ATOM 848 CB LYS A 53 -7.773 -31.033 1.715 1.00 0.00 C ATOM 849 CG LYS A 53 -7.161 -32.162 2.527 1.00 0.00 C ATOM 850 CD LYS A 53 -7.194 -33.477 1.767 1.00 0.00 C ATOM 851 CE LYS A 53 -6.178 -33.492 0.635 1.00 0.00 C ATOM 852 NZ LYS A 53 -4.789 -33.292 1.133 1.00 0.00 N ATOM 0 H LYS A 53 -9.931 -30.125 3.300 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.077 -29.431 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.719 -31.372 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.115 -30.801 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.130 -31.913 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.702 -32.270 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.989 -34.300 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.193 -33.640 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.240 -34.442 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.423 -32.709 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.112 -33.636 0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.624 -32.280 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.659 -33.820 2.019 1.00 0.00 H new ATOM 866 N THR A 54 -7.603 -27.973 0.936 1.00 0.00 N ATOM 867 CA THR A 54 -7.960 -26.891 0.027 1.00 0.00 C ATOM 868 C THR A 54 -7.140 -26.958 -1.256 1.00 0.00 C ATOM 869 O THR A 54 -5.909 -26.966 -1.219 1.00 0.00 O ATOM 870 CB THR A 54 -7.752 -25.513 0.684 1.00 0.00 C ATOM 871 OG1 THR A 54 -7.765 -25.644 2.110 1.00 0.00 O ATOM 872 CG2 THR A 54 -8.835 -24.537 0.249 1.00 0.00 C ATOM 0 H THR A 54 -6.602 -28.154 1.004 1.00 0.00 H new ATOM 0 HA THR A 54 -9.016 -27.015 -0.213 1.00 0.00 H new ATOM 0 HB THR A 54 -6.785 -25.124 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.630 -24.764 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.667 -23.571 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.804 -24.418 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.811 -24.922 0.543 1.00 0.00 H new ATOM 880 N TYR A 55 -7.829 -27.005 -2.391 1.00 0.00 N ATOM 881 CA TYR A 55 -7.164 -27.073 -3.687 1.00 0.00 C ATOM 882 C TYR A 55 -7.090 -25.693 -4.334 1.00 0.00 C ATOM 883 O TYR A 55 -7.758 -24.756 -3.900 1.00 0.00 O ATOM 884 CB TYR A 55 -7.900 -28.043 -4.612 1.00 0.00 C ATOM 885 CG TYR A 55 -7.968 -29.456 -4.077 1.00 0.00 C ATOM 886 CD1 TYR A 55 -8.858 -29.795 -3.065 1.00 0.00 C ATOM 887 CD2 TYR A 55 -7.142 -30.452 -4.584 1.00 0.00 C ATOM 888 CE1 TYR A 55 -8.922 -31.084 -2.573 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.201 -31.744 -4.099 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.092 -32.055 -3.094 1.00 0.00 C ATOM 891 OH TYR A 55 -8.154 -33.341 -2.607 1.00 0.00 O ATOM 0 H TYR A 55 -8.848 -26.997 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.148 -27.435 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.913 -27.677 -4.777 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.403 -28.054 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.511 -29.038 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.442 -30.212 -5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.618 -31.330 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.553 -32.506 -4.505 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.505 -33.902 -3.081 1.00 0.00 H new ATOM 901 N GLU A 56 -6.271 -25.579 -5.376 1.00 0.00 N ATOM 902 CA GLU A 56 -6.109 -24.314 -6.083 1.00 0.00 C ATOM 903 C GLU A 56 -6.195 -24.520 -7.593 1.00 0.00 C ATOM 904 O GLU A 56 -5.630 -25.471 -8.133 1.00 0.00 O ATOM 905 CB GLU A 56 -4.770 -23.670 -5.721 1.00 0.00 C ATOM 906 CG GLU A 56 -4.787 -22.937 -4.390 1.00 0.00 C ATOM 907 CD GLU A 56 -3.447 -22.313 -4.051 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.581 -23.026 -3.504 1.00 0.00 O ATOM 909 OE2 GLU A 56 -3.266 -21.110 -4.332 1.00 0.00 O ATOM 0 H GLU A 56 -5.711 -26.346 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.918 -23.650 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.001 -24.442 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.488 -22.970 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.550 -22.159 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.070 -23.633 -3.600 1.00 0.00 H new ATOM 916 N ARG A 57 -6.907 -23.623 -8.267 1.00 0.00 N ATOM 917 CA ARG A 57 -7.069 -23.707 -9.714 1.00 0.00 C ATOM 918 C ARG A 57 -7.206 -22.316 -10.327 1.00 0.00 C ATOM 919 O ARG A 57 -8.091 -21.547 -9.952 1.00 0.00 O ATOM 920 CB ARG A 57 -8.295 -24.553 -10.062 1.00 0.00 C ATOM 921 CG ARG A 57 -8.512 -24.724 -11.557 1.00 0.00 C ATOM 922 CD ARG A 57 -7.766 -25.936 -12.092 1.00 0.00 C ATOM 923 NE ARG A 57 -7.342 -25.750 -13.478 1.00 0.00 N ATOM 924 CZ ARG A 57 -8.146 -25.917 -14.521 1.00 0.00 C ATOM 925 NH1 ARG A 57 -9.411 -26.271 -14.338 1.00 0.00 N ATOM 926 NH2 ARG A 57 -7.687 -25.729 -15.752 1.00 0.00 N ATOM 0 H ARG A 57 -7.381 -22.830 -7.835 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.179 -24.181 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.189 -25.536 -9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.181 -24.091 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.577 -24.831 -11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.176 -23.828 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.893 -26.129 -11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.407 -26.815 -12.024 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.375 -25.477 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.769 -26.416 -13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.026 -26.399 -15.141 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.715 -25.456 -15.898 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.306 -25.858 -16.552 1.00 0.00 H new ATOM 940 N GLN A 58 -6.324 -22.002 -11.270 1.00 0.00 N ATOM 941 CA GLN A 58 -6.346 -20.704 -11.934 1.00 0.00 C ATOM 942 C GLN A 58 -6.805 -20.841 -13.382 1.00 0.00 C ATOM 943 O GLN A 58 -6.358 -21.732 -14.103 1.00 0.00 O ATOM 944 CB GLN A 58 -4.960 -20.058 -11.884 1.00 0.00 C ATOM 945 CG GLN A 58 -3.961 -20.689 -12.840 1.00 0.00 C ATOM 946 CD GLN A 58 -2.551 -20.707 -12.282 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.139 -21.670 -11.635 1.00 0.00 O ATOM 948 NE2 GLN A 58 -1.803 -19.638 -12.529 1.00 0.00 N ATOM 0 H GLN A 58 -5.586 -22.628 -11.591 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.055 -20.066 -11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.054 -18.997 -12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.572 -20.128 -10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.272 -21.709 -13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.968 -20.140 -13.782 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.185 -18.862 -13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.846 -19.593 -12.178 1.00 0.00 H new ATOM 957 N GLY A 59 -7.700 -19.951 -13.801 1.00 0.00 N ATOM 958 CA GLY A 59 -8.205 -19.991 -15.161 1.00 0.00 C ATOM 959 C GLY A 59 -8.615 -18.622 -15.667 1.00 0.00 C ATOM 960 O GLY A 59 -8.187 -17.600 -15.131 1.00 0.00 O ATOM 0 H GLY A 59 -8.084 -19.203 -13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.439 -20.403 -15.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.061 -20.664 -15.208 1.00 0.00 H new ATOM 964 N PHE A 60 -9.447 -18.601 -16.703 1.00 0.00 N ATOM 965 CA PHE A 60 -9.913 -17.347 -17.284 1.00 0.00 C ATOM 966 C PHE A 60 -11.426 -17.212 -17.142 1.00 0.00 C ATOM 967 O PHE A 60 -12.132 -18.198 -16.931 1.00 0.00 O ATOM 968 CB PHE A 60 -9.519 -17.267 -18.760 1.00 0.00 C ATOM 969 CG PHE A 60 -8.082 -16.887 -18.977 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.073 -17.823 -18.822 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.741 -15.592 -19.335 1.00 0.00 C ATOM 972 CE1 PHE A 60 -5.750 -17.477 -19.022 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.419 -15.240 -19.536 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.422 -16.183 -19.378 1.00 0.00 C ATOM 0 H PHE A 60 -9.812 -19.438 -17.157 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.440 -16.527 -16.744 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.706 -18.232 -19.231 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.158 -16.539 -19.260 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.323 -18.835 -18.541 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.516 -14.850 -19.458 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.973 -18.217 -18.900 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.166 -14.228 -19.816 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.389 -15.909 -19.532 1.00 0.00 H new ATOM 984 N VAL A 61 -11.918 -15.982 -17.258 1.00 0.00 N ATOM 985 CA VAL A 61 -13.347 -15.716 -17.144 1.00 0.00 C ATOM 986 C VAL A 61 -13.728 -14.435 -17.877 1.00 0.00 C ATOM 987 O VAL A 61 -12.898 -13.556 -18.114 1.00 0.00 O ATOM 988 CB VAL A 61 -13.780 -15.600 -15.670 1.00 0.00 C ATOM 989 CG1 VAL A 61 -13.973 -16.980 -15.060 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.760 -14.796 -14.878 1.00 0.00 C ATOM 0 H VAL A 61 -11.348 -15.154 -17.431 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.864 -16.560 -17.602 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.734 -15.075 -15.629 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.279 -16.878 -14.019 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.743 -17.518 -15.613 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.036 -17.534 -15.110 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.081 -14.724 -13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.790 -15.292 -14.924 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.676 -13.796 -15.302 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.013 -14.323 -18.244 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.534 -13.151 -18.955 1.00 0.00 C ATOM 1002 C PRO A 62 -15.576 -11.909 -18.071 1.00 0.00 C ATOM 1003 O PRO A 62 -16.189 -11.916 -17.004 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.951 -13.576 -19.348 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.329 -14.611 -18.344 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.056 -15.331 -17.993 1.00 0.00 C ATOM 0 HA PRO A 62 -14.906 -12.876 -19.803 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.639 -12.731 -19.323 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.977 -13.979 -20.361 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.775 -14.154 -17.461 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.067 -15.301 -18.753 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.054 -15.661 -16.954 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.913 -16.219 -18.609 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.922 -10.844 -18.523 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.888 -9.594 -17.775 1.00 0.00 C ATOM 1016 C ALA A 63 -16.282 -8.987 -17.656 1.00 0.00 C ATOM 1017 O ALA A 63 -16.511 -8.090 -16.845 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.936 -8.609 -18.437 1.00 0.00 C ATOM 0 H ALA A 63 -14.408 -10.822 -19.404 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.528 -9.811 -16.769 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.920 -7.680 -17.868 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.933 -9.035 -18.464 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.272 -8.406 -19.454 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.209 -9.482 -18.469 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.580 -8.989 -18.454 1.00 0.00 C ATOM 1026 C ALA A 64 -19.369 -9.596 -17.298 1.00 0.00 C ATOM 1027 O ALA A 64 -20.520 -9.230 -17.059 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.265 -9.290 -19.779 1.00 0.00 C ATOM 0 H ALA A 64 -17.035 -10.224 -19.147 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.549 -7.909 -18.311 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.288 -8.916 -19.753 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.721 -8.803 -20.589 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.277 -10.367 -19.946 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.743 -10.526 -16.585 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.388 -11.186 -15.457 1.00 0.00 C ATOM 1036 C TYR A 65 -18.535 -11.069 -14.197 1.00 0.00 C ATOM 1037 O TYR A 65 -18.565 -11.942 -13.330 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.643 -12.659 -15.778 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.639 -12.872 -16.896 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.311 -12.572 -18.212 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.909 -13.372 -16.635 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.218 -12.764 -19.236 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.822 -13.568 -17.653 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.472 -13.262 -18.951 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.379 -13.455 -19.968 1.00 0.00 O ATOM 0 H TYR A 65 -17.790 -10.839 -16.769 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.342 -10.690 -15.276 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.699 -13.132 -16.049 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -20.005 -13.160 -14.880 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.330 -12.182 -18.439 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.187 -13.611 -15.619 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.947 -12.526 -20.254 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.805 -13.959 -17.433 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.213 -13.812 -19.599 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.775 -9.982 -14.104 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.915 -9.747 -12.950 1.00 0.00 C ATOM 1057 C VAL A 66 -16.895 -8.271 -12.570 1.00 0.00 C ATOM 1058 O VAL A 66 -17.303 -7.412 -13.352 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.473 -10.216 -13.221 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.458 -11.671 -13.665 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.811 -9.326 -14.262 1.00 0.00 C ATOM 0 H VAL A 66 -17.737 -9.251 -14.814 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.329 -10.325 -12.124 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.904 -10.139 -12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.431 -11.984 -13.852 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.891 -12.295 -12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.042 -11.778 -14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.793 -9.671 -14.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.378 -9.370 -15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.787 -8.298 -13.900 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.418 -7.982 -11.365 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.342 -6.610 -10.880 1.00 0.00 C ATOM 1073 C LYS A 67 -15.336 -6.490 -9.739 1.00 0.00 C ATOM 1074 O LYS A 67 -15.537 -7.046 -8.659 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.719 -6.136 -10.411 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.882 -4.626 -10.428 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.423 -4.000 -9.122 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.560 -3.915 -8.115 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.351 -2.814 -7.135 1.00 0.00 N ATOM 0 H LYS A 67 -16.078 -8.681 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.008 -5.979 -11.703 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.483 -6.583 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.894 -6.500 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.308 -4.207 -11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.928 -4.374 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.607 -4.588 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.030 -3.002 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.501 -3.758 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.646 -4.863 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.147 -2.789 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.466 -2.976 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.294 -1.906 -7.639 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.253 -5.761 -9.985 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.216 -5.565 -8.979 1.00 0.00 C ATOM 1095 C LYS A 68 -13.776 -4.850 -7.753 1.00 0.00 C ATOM 1096 O LYS A 68 -14.562 -3.910 -7.875 1.00 0.00 O ATOM 1097 CB LYS A 68 -12.053 -4.761 -9.564 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.824 -4.733 -8.673 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.658 -4.035 -9.353 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.963 -2.568 -9.614 1.00 0.00 C ATOM 1101 NZ LYS A 68 -8.727 -1.787 -9.900 1.00 0.00 N ATOM 0 H LYS A 68 -14.070 -5.295 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.853 -6.546 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.781 -5.183 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.384 -3.738 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.061 -4.222 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.538 -5.752 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.769 -4.117 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.433 -4.534 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.649 -2.484 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.469 -2.142 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.977 -0.792 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.083 -1.846 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.257 -2.177 -10.742 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.366 -5.300 -6.573 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.825 -4.702 -5.324 1.00 0.00 C ATOM 1117 C LEU A 69 -12.870 -3.606 -4.862 1.00 0.00 C ATOM 1118 O LEU A 69 -13.291 -2.489 -4.561 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.954 -5.773 -4.240 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.764 -7.015 -4.615 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.278 -8.225 -3.834 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -16.247 -6.778 -4.368 1.00 0.00 C ATOM 0 H LEU A 69 -12.716 -6.077 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.803 -4.255 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.952 -6.091 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.410 -5.318 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.620 -7.213 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.866 -9.099 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.227 -8.407 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.392 -8.038 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.809 -7.672 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.409 -6.555 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.587 -5.938 -4.973 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.584 -3.933 -4.809 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.568 -2.976 -4.386 1.00 0.00 C ATOM 1136 C ASP A 70 -9.740 -2.501 -5.576 1.00 0.00 C ATOM 1137 O ASP A 70 -8.881 -3.228 -6.077 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.655 -3.601 -3.331 1.00 0.00 C ATOM 1139 CG ASP A 70 -10.396 -3.944 -2.053 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -11.634 -3.781 -2.023 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -9.738 -4.376 -1.084 1.00 0.00 O ATOM 0 H ASP A 70 -11.220 -4.854 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.075 -2.114 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.200 -4.504 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.843 -2.911 -3.103 1.00 0.00 H new TER 1146 ASP A 70