USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 846 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 7 ASN : amide:sc= 1.79 K(o=3.7,f=-4.7!) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0.688 USER MOD Set 1.3: A 77 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -118:sc= 0.4 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.266 K(o=-0.27,f=-4.8!) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00339) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.674 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 120:sc= 0.00358 USER MOD Single : A 30 GLN : amide:sc=-0.00031 X(o=-0.00031,f=-0.26) USER MOD Single : A 34 SER OG : rot -46:sc= 0.177 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.803 X(o=-0.8,f=-1.1) USER MOD Single : A 49 THR OG1 : rot -32:sc= 0.602 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.557 K(o=0.56,f=-0.013) USER MOD Single : A 53 HIS : no HE2:sc= 0.765 K(o=0.77,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.2!) USER MOD Single : A 58 GLN : amide:sc= -0.345 K(o=-0.34,f=-5.3!) USER MOD Single : A 62 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 65 THR OG1 : rot -46:sc= 1.58 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 79 CYS SG : rot 20:sc= -0.0585 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.11 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00374 USER MOD Single : A 100 LYS NZ :NH3+ 147:sc= 1.14 (180deg=0.411) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -1.019 14.854 -8.217 1.00 0.00 N ATOM 2 CA ALA A 2 -1.139 13.538 -7.564 1.00 0.00 C ATOM 3 C ALA A 2 -1.970 12.523 -8.362 1.00 0.00 C ATOM 4 O ALA A 2 -1.663 11.327 -8.303 1.00 0.00 O ATOM 5 CB ALA A 2 -1.723 13.680 -6.162 1.00 0.00 C ATOM 0 HA ALA A 2 -0.123 13.146 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.802 12.696 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.072 14.313 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.713 14.132 -6.224 1.00 0.00 H new ATOM 13 N GLN A 3 -3.038 12.957 -9.047 1.00 0.00 N ATOM 14 CA GLN A 3 -4.008 12.165 -9.814 1.00 0.00 C ATOM 15 C GLN A 3 -3.431 11.491 -11.071 1.00 0.00 C ATOM 16 O GLN A 3 -4.024 11.532 -12.149 1.00 0.00 O ATOM 17 CB GLN A 3 -5.235 13.046 -10.130 1.00 0.00 C ATOM 18 CG GLN A 3 -4.913 14.270 -11.017 1.00 0.00 C ATOM 19 CD GLN A 3 -5.974 15.367 -10.980 1.00 0.00 C ATOM 20 OE1 GLN A 3 -7.084 15.198 -10.477 1.00 0.00 O ATOM 21 NE2 GLN A 3 -5.648 16.535 -11.502 1.00 0.00 N ATOM 0 H GLN A 3 -3.263 13.951 -9.081 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.309 11.324 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.989 12.437 -10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.672 13.393 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.959 14.692 -10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.788 13.935 -12.047 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.726 16.668 -11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.318 17.304 -11.490 1.00 0.00 H new ATOM 30 N GLU A 4 -2.278 10.845 -10.948 1.00 0.00 N ATOM 31 CA GLU A 4 -1.668 10.076 -12.015 1.00 0.00 C ATOM 32 C GLU A 4 -0.612 9.170 -11.409 1.00 0.00 C ATOM 33 O GLU A 4 -0.731 7.955 -11.519 1.00 0.00 O ATOM 34 CB GLU A 4 -1.067 11.013 -13.072 1.00 0.00 C ATOM 35 CG GLU A 4 -1.072 10.335 -14.442 1.00 0.00 C ATOM 36 CD GLU A 4 -0.728 11.351 -15.519 1.00 0.00 C ATOM 37 OE1 GLU A 4 -1.512 12.303 -15.718 1.00 0.00 O ATOM 38 OE2 GLU A 4 0.349 11.223 -16.147 1.00 0.00 O ATOM 0 H GLU A 4 -1.734 10.844 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.418 9.464 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.639 11.940 -13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.048 11.280 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.351 9.518 -14.456 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.052 9.900 -14.639 1.00 0.00 H new ATOM 45 N PHE A 5 0.363 9.735 -10.686 1.00 0.00 N ATOM 46 CA PHE A 5 1.430 8.938 -10.095 1.00 0.00 C ATOM 47 C PHE A 5 0.869 7.919 -9.108 1.00 0.00 C ATOM 48 O PHE A 5 1.330 6.784 -9.070 1.00 0.00 O ATOM 49 CB PHE A 5 2.461 9.831 -9.401 1.00 0.00 C ATOM 50 CG PHE A 5 3.653 9.047 -8.889 1.00 0.00 C ATOM 51 CD1 PHE A 5 4.530 8.436 -9.804 1.00 0.00 C ATOM 52 CD2 PHE A 5 3.881 8.907 -7.507 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.616 7.678 -9.339 1.00 0.00 C ATOM 54 CE2 PHE A 5 4.990 8.180 -7.043 1.00 0.00 C ATOM 55 CZ PHE A 5 5.845 7.545 -7.960 1.00 0.00 C ATOM 0 H PHE A 5 0.430 10.736 -10.500 1.00 0.00 H new ATOM 0 HA PHE A 5 1.926 8.400 -10.903 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.804 10.595 -10.099 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.986 10.350 -8.568 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.367 8.550 -10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.201 9.360 -6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.277 7.196 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.185 8.109 -5.983 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.677 6.955 -7.605 1.00 0.00 H new ATOM 65 N VAL A 6 -0.143 8.305 -8.327 1.00 0.00 N ATOM 66 CA VAL A 6 -0.892 7.344 -7.537 1.00 0.00 C ATOM 67 C VAL A 6 -1.702 6.460 -8.486 1.00 0.00 C ATOM 68 O VAL A 6 -1.514 5.246 -8.524 1.00 0.00 O ATOM 69 CB VAL A 6 -1.739 8.082 -6.480 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.804 7.205 -5.813 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.833 8.629 -5.369 1.00 0.00 C ATOM 0 H VAL A 6 -0.456 9.271 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.231 6.684 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.249 8.878 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.357 7.796 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.491 6.828 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.322 6.366 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.440 9.148 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.304 7.804 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.111 9.324 -5.798 1.00 0.00 H new ATOM 81 N ASN A 7 -2.634 7.059 -9.229 1.00 0.00 N ATOM 82 CA ASN A 7 -3.738 6.317 -9.826 1.00 0.00 C ATOM 83 C ASN A 7 -3.257 5.257 -10.819 1.00 0.00 C ATOM 84 O ASN A 7 -3.718 4.117 -10.776 1.00 0.00 O ATOM 85 CB ASN A 7 -4.730 7.292 -10.478 1.00 0.00 C ATOM 86 CG ASN A 7 -6.151 6.763 -10.348 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.441 5.608 -10.641 1.00 0.00 O ATOM 88 ND2 ASN A 7 -7.069 7.589 -9.884 1.00 0.00 N ATOM 0 H ASN A 7 -2.643 8.059 -9.430 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.249 5.776 -9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.654 8.271 -10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.480 7.427 -11.530 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.030 7.269 -9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.818 8.548 -9.643 1.00 0.00 H new ATOM 95 N CYS A 8 -2.293 5.598 -11.676 1.00 0.00 N ATOM 96 CA CYS A 8 -1.761 4.698 -12.688 1.00 0.00 C ATOM 97 C CYS A 8 -0.821 3.630 -12.116 1.00 0.00 C ATOM 98 O CYS A 8 -0.532 2.665 -12.827 1.00 0.00 O ATOM 99 CB CYS A 8 -1.016 5.505 -13.758 1.00 0.00 C ATOM 100 SG CYS A 8 -2.103 6.741 -14.520 1.00 0.00 S ATOM 0 H CYS A 8 -1.857 6.520 -11.683 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.615 4.176 -13.120 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.155 6.001 -13.310 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.633 4.831 -14.525 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.440 7.407 -15.418 1.00 0.00 H new ATOM 106 N LYS A 9 -0.319 3.759 -10.878 1.00 0.00 N ATOM 107 CA LYS A 9 0.573 2.747 -10.305 1.00 0.00 C ATOM 108 C LYS A 9 -0.186 1.476 -9.958 1.00 0.00 C ATOM 109 O LYS A 9 0.381 0.393 -10.110 1.00 0.00 O ATOM 110 CB LYS A 9 1.292 3.270 -9.048 1.00 0.00 C ATOM 111 CG LYS A 9 2.563 4.068 -9.366 1.00 0.00 C ATOM 112 CD LYS A 9 3.751 3.158 -9.691 1.00 0.00 C ATOM 113 CE LYS A 9 5.041 3.964 -9.831 1.00 0.00 C ATOM 114 NZ LYS A 9 5.055 4.794 -11.051 1.00 0.00 N ATOM 0 H LYS A 9 -0.515 4.548 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 9 1.319 2.521 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.607 3.901 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.551 2.426 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.373 4.730 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.815 4.701 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.868 2.413 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.555 2.616 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.163 4.604 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.892 3.283 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.837 4.493 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.153 4.683 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.185 5.792 -10.790 1.00 0.00 H new ATOM 128 N ILE A 10 -1.413 1.575 -9.442 1.00 0.00 N ATOM 129 CA ILE A 10 -2.118 0.397 -8.969 1.00 0.00 C ATOM 130 C ILE A 10 -2.836 -0.226 -10.164 1.00 0.00 C ATOM 131 O ILE A 10 -3.624 0.452 -10.824 1.00 0.00 O ATOM 132 CB ILE A 10 -3.104 0.712 -7.819 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.707 1.863 -6.864 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.271 -0.588 -7.012 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.512 3.132 -7.178 1.00 0.00 C ATOM 0 H ILE A 10 -1.928 2.450 -9.345 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.399 -0.305 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.023 1.068 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.882 1.562 -5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.641 2.070 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.961 -0.417 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.668 -1.370 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.303 -0.899 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.217 3.928 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.316 3.443 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.576 2.927 -7.058 1.00 0.00 H new ATOM 147 N GLN A 11 -2.611 -1.515 -10.415 1.00 0.00 N ATOM 148 CA GLN A 11 -3.407 -2.303 -11.353 1.00 0.00 C ATOM 149 C GLN A 11 -4.307 -3.262 -10.573 1.00 0.00 C ATOM 150 O GLN A 11 -4.007 -3.563 -9.407 1.00 0.00 O ATOM 151 CB GLN A 11 -2.492 -3.105 -12.297 1.00 0.00 C ATOM 152 CG GLN A 11 -2.044 -2.292 -13.512 1.00 0.00 C ATOM 153 CD GLN A 11 -1.107 -1.159 -13.126 1.00 0.00 C ATOM 154 OE1 GLN A 11 0.018 -1.392 -12.705 1.00 0.00 O ATOM 155 NE2 GLN A 11 -1.537 0.081 -13.225 1.00 0.00 N ATOM 0 H GLN A 11 -1.864 -2.046 -9.968 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.018 -1.627 -11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.614 -3.442 -11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.018 -3.998 -12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.544 -2.949 -14.223 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.919 -1.883 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.476 0.269 -13.577 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.931 0.854 -12.950 1.00 0.00 H new ATOM 164 N PRO A 12 -5.359 -3.807 -11.212 1.00 0.00 N ATOM 165 CA PRO A 12 -6.100 -4.953 -10.711 1.00 0.00 C ATOM 166 C PRO A 12 -5.207 -6.202 -10.748 1.00 0.00 C ATOM 167 O PRO A 12 -5.261 -7.027 -11.662 1.00 0.00 O ATOM 168 CB PRO A 12 -7.346 -5.052 -11.598 1.00 0.00 C ATOM 169 CG PRO A 12 -6.876 -4.484 -12.930 1.00 0.00 C ATOM 170 CD PRO A 12 -5.906 -3.386 -12.500 1.00 0.00 C ATOM 0 HA PRO A 12 -6.406 -4.855 -9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.687 -6.082 -11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.178 -4.479 -11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.386 -5.240 -13.543 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.705 -4.086 -13.516 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.113 -3.257 -13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.417 -2.428 -12.411 1.00 0.00 H new ATOM 178 N GLY A 13 -4.331 -6.309 -9.754 1.00 0.00 N ATOM 179 CA GLY A 13 -3.465 -7.427 -9.468 1.00 0.00 C ATOM 180 C GLY A 13 -2.054 -7.015 -9.052 1.00 0.00 C ATOM 181 O GLY A 13 -1.143 -7.832 -9.157 1.00 0.00 O ATOM 0 H GLY A 13 -4.205 -5.553 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.909 -8.026 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.404 -8.064 -10.351 1.00 0.00 H new ATOM 185 N LYS A 14 -1.829 -5.775 -8.603 1.00 0.00 N ATOM 186 CA LYS A 14 -0.578 -5.345 -7.970 1.00 0.00 C ATOM 187 C LYS A 14 -0.856 -5.052 -6.503 1.00 0.00 C ATOM 188 O LYS A 14 -2.006 -4.791 -6.144 1.00 0.00 O ATOM 189 CB LYS A 14 -0.008 -4.110 -8.705 1.00 0.00 C ATOM 190 CG LYS A 14 1.509 -4.231 -8.919 1.00 0.00 C ATOM 191 CD LYS A 14 2.143 -3.031 -9.640 1.00 0.00 C ATOM 192 CE LYS A 14 1.784 -2.976 -11.128 1.00 0.00 C ATOM 193 NZ LYS A 14 2.473 -4.002 -11.932 1.00 0.00 N ATOM 0 H LYS A 14 -2.523 -5.030 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 14 0.174 -6.132 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.504 -3.998 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.224 -3.211 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.992 -4.355 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.712 -5.134 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.817 -2.109 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.227 -3.080 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.707 -3.100 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.034 -1.990 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.214 -3.890 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.502 -3.893 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.190 -4.948 -11.605 1.00 0.00 H new ATOM 207 N VAL A 15 0.181 -5.067 -5.674 1.00 0.00 N ATOM 208 CA VAL A 15 0.120 -4.715 -4.272 1.00 0.00 C ATOM 209 C VAL A 15 0.928 -3.432 -4.104 1.00 0.00 C ATOM 210 O VAL A 15 2.090 -3.450 -3.709 1.00 0.00 O ATOM 211 CB VAL A 15 0.657 -5.877 -3.420 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.442 -5.520 -1.949 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.012 -7.223 -3.732 1.00 0.00 C ATOM 0 H VAL A 15 1.118 -5.335 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.901 -4.540 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 15 1.714 -6.005 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.815 -6.329 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.980 -4.601 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.622 -5.375 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.415 -7.998 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.083 -7.149 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.157 -7.480 -4.778 1.00 0.00 H new ATOM 223 N VAL A 16 0.340 -2.298 -4.448 1.00 0.00 N ATOM 224 CA VAL A 16 1.040 -1.036 -4.297 1.00 0.00 C ATOM 225 C VAL A 16 0.847 -0.587 -2.854 1.00 0.00 C ATOM 226 O VAL A 16 -0.187 -0.853 -2.244 1.00 0.00 O ATOM 227 CB VAL A 16 0.525 -0.059 -5.361 1.00 0.00 C ATOM 228 CG1 VAL A 16 0.986 1.384 -5.145 1.00 0.00 C ATOM 229 CG2 VAL A 16 1.049 -0.559 -6.716 1.00 0.00 C ATOM 0 H VAL A 16 -0.604 -2.226 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 16 2.114 -1.107 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.564 -0.037 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.583 2.017 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.629 1.739 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.075 1.425 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.706 0.108 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.139 -0.575 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.674 -1.565 -6.902 1.00 0.00 H new ATOM 239 N VAL A 17 1.833 0.095 -2.293 1.00 0.00 N ATOM 240 CA VAL A 17 1.734 0.734 -1.001 1.00 0.00 C ATOM 241 C VAL A 17 2.315 2.115 -1.194 1.00 0.00 C ATOM 242 O VAL A 17 3.505 2.240 -1.471 1.00 0.00 O ATOM 243 CB VAL A 17 2.486 -0.051 0.081 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.052 0.466 1.460 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.268 -1.564 -0.025 1.00 0.00 C ATOM 0 H VAL A 17 2.743 0.219 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 17 0.701 0.778 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 17 3.554 0.111 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.580 -0.085 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.289 1.527 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.978 0.324 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.824 -2.068 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.206 -1.787 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.619 -1.915 -0.995 1.00 0.00 H new ATOM 255 N PHE A 18 1.488 3.146 -1.091 1.00 0.00 N ATOM 256 CA PHE A 18 2.018 4.499 -1.099 1.00 0.00 C ATOM 257 C PHE A 18 2.613 4.724 0.285 1.00 0.00 C ATOM 258 O PHE A 18 1.946 4.463 1.296 1.00 0.00 O ATOM 259 CB PHE A 18 0.926 5.505 -1.475 1.00 0.00 C ATOM 260 CG PHE A 18 0.391 5.204 -2.854 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.166 5.534 -3.980 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.808 4.486 -3.008 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.740 5.149 -5.260 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.243 4.122 -4.291 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.471 4.459 -5.415 1.00 0.00 C ATOM 0 H PHE A 18 0.474 3.075 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 18 2.792 4.642 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.117 5.463 -0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.329 6.517 -1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.088 6.083 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.392 4.215 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.344 5.384 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.171 3.583 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.811 4.186 -6.403 1.00 0.00 H new ATOM 275 N ILE A 19 3.878 5.131 0.328 1.00 0.00 N ATOM 276 CA ILE A 19 4.676 5.231 1.538 1.00 0.00 C ATOM 277 C ILE A 19 5.555 6.474 1.493 1.00 0.00 C ATOM 278 O ILE A 19 5.778 7.059 0.439 1.00 0.00 O ATOM 279 CB ILE A 19 5.619 4.003 1.674 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.536 3.807 0.437 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.866 2.706 1.987 1.00 0.00 C ATOM 282 CD1 ILE A 19 7.984 3.480 0.811 1.00 0.00 C ATOM 0 H ILE A 19 4.390 5.409 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 19 3.986 5.278 2.381 1.00 0.00 H new ATOM 0 HB ILE A 19 6.256 4.232 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.136 3.003 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.519 4.713 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.577 1.884 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.327 2.816 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.158 2.494 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.575 3.355 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.399 4.294 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.010 2.558 1.392 1.00 0.00 H new ATOM 294 N LYS A 20 6.144 6.807 2.635 1.00 0.00 N ATOM 295 CA LYS A 20 7.334 7.640 2.745 1.00 0.00 C ATOM 296 C LYS A 20 8.386 6.722 3.378 1.00 0.00 C ATOM 297 O LYS A 20 8.020 5.839 4.163 1.00 0.00 O ATOM 298 CB LYS A 20 7.075 8.919 3.572 1.00 0.00 C ATOM 299 CG LYS A 20 6.126 8.694 4.755 1.00 0.00 C ATOM 300 CD LYS A 20 6.162 9.786 5.829 1.00 0.00 C ATOM 301 CE LYS A 20 5.757 11.173 5.322 1.00 0.00 C ATOM 302 NZ LYS A 20 5.321 12.033 6.442 1.00 0.00 N ATOM 0 H LYS A 20 5.794 6.494 3.540 1.00 0.00 H new ATOM 0 HA LYS A 20 7.664 8.020 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.025 9.301 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.657 9.686 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.108 8.613 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.370 7.739 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.498 9.501 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.169 9.841 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.598 11.637 4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.951 11.078 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.051 12.968 6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.504 11.598 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.101 12.139 7.122 1.00 0.00 H new ATOM 316 N PRO A 21 9.682 6.892 3.092 1.00 0.00 N ATOM 317 CA PRO A 21 10.718 6.043 3.658 1.00 0.00 C ATOM 318 C PRO A 21 11.039 6.409 5.118 1.00 0.00 C ATOM 319 O PRO A 21 11.975 5.845 5.687 1.00 0.00 O ATOM 320 CB PRO A 21 11.899 6.200 2.701 1.00 0.00 C ATOM 321 CG PRO A 21 11.767 7.616 2.152 1.00 0.00 C ATOM 322 CD PRO A 21 10.257 7.853 2.165 1.00 0.00 C ATOM 0 HA PRO A 21 10.414 4.999 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.849 6.063 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.862 5.460 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.294 8.340 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.179 7.699 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.030 8.872 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.838 7.724 1.167 1.00 0.00 H new ATOM 330 N THR A 22 10.309 7.349 5.730 1.00 0.00 N ATOM 331 CA THR A 22 10.694 7.994 6.977 1.00 0.00 C ATOM 332 C THR A 22 9.637 7.875 8.081 1.00 0.00 C ATOM 333 O THR A 22 9.987 8.062 9.252 1.00 0.00 O ATOM 334 CB THR A 22 11.018 9.463 6.675 1.00 0.00 C ATOM 335 OG1 THR A 22 9.879 10.120 6.152 1.00 0.00 O ATOM 336 CG2 THR A 22 12.130 9.623 5.634 1.00 0.00 C ATOM 0 H THR A 22 9.419 7.684 5.360 1.00 0.00 H new ATOM 0 HA THR A 22 11.570 7.479 7.370 1.00 0.00 H new ATOM 0 HB THR A 22 11.340 9.895 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.099 11.057 5.965 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.316 10.683 5.461 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.041 9.149 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.825 9.151 4.700 1.00 0.00 H new ATOM 344 N CYS A 23 8.375 7.541 7.756 1.00 0.00 N ATOM 345 CA CYS A 23 7.407 7.167 8.777 1.00 0.00 C ATOM 346 C CYS A 23 7.845 5.801 9.329 1.00 0.00 C ATOM 347 O CYS A 23 8.008 4.860 8.541 1.00 0.00 O ATOM 348 CB CYS A 23 5.971 7.071 8.218 1.00 0.00 C ATOM 349 SG CYS A 23 4.754 8.217 8.908 1.00 0.00 S ATOM 0 H CYS A 23 8.014 7.525 6.802 1.00 0.00 H new ATOM 0 HA CYS A 23 7.385 7.932 9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.014 7.228 7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.611 6.055 8.378 1.00 0.00 H new ATOM 0 HG CYS A 23 3.601 8.019 8.341 1.00 0.00 H new ATOM 354 N PRO A 24 7.891 5.632 10.658 1.00 0.00 N ATOM 355 CA PRO A 24 8.114 4.324 11.257 1.00 0.00 C ATOM 356 C PRO A 24 6.937 3.395 10.929 1.00 0.00 C ATOM 357 O PRO A 24 7.067 2.169 10.968 1.00 0.00 O ATOM 358 CB PRO A 24 8.235 4.610 12.757 1.00 0.00 C ATOM 359 CG PRO A 24 7.305 5.804 12.959 1.00 0.00 C ATOM 360 CD PRO A 24 7.487 6.600 11.670 1.00 0.00 C ATOM 0 HA PRO A 24 9.003 3.817 10.883 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.927 3.753 13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.261 4.846 13.041 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.270 5.491 13.098 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.582 6.388 13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.561 7.100 11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.243 7.375 11.793 1.00 0.00 H new ATOM 368 N TYR A 25 5.781 3.970 10.587 1.00 0.00 N ATOM 369 CA TYR A 25 4.572 3.238 10.295 1.00 0.00 C ATOM 370 C TYR A 25 4.691 2.579 8.925 1.00 0.00 C ATOM 371 O TYR A 25 4.323 1.410 8.791 1.00 0.00 O ATOM 372 CB TYR A 25 3.392 4.209 10.319 1.00 0.00 C ATOM 373 CG TYR A 25 3.162 4.835 11.676 1.00 0.00 C ATOM 374 CD1 TYR A 25 3.083 4.039 12.834 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.126 6.237 11.787 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.998 4.639 14.101 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.010 6.838 13.049 1.00 0.00 C ATOM 378 CZ TYR A 25 2.965 6.048 14.215 1.00 0.00 C ATOM 379 OH TYR A 25 2.935 6.654 15.434 1.00 0.00 O ATOM 0 H TYR A 25 5.670 4.981 10.507 1.00 0.00 H new ATOM 0 HA TYR A 25 4.414 2.459 11.041 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.564 4.998 9.587 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.489 3.681 10.012 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.088 2.962 12.748 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.188 6.851 10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.958 4.024 14.988 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.955 7.914 13.128 1.00 0.00 H new ATOM 0 HH TYR A 25 2.916 7.627 15.315 1.00 0.00 H new ATOM 389 N CYS A 26 5.221 3.301 7.927 1.00 0.00 N ATOM 390 CA CYS A 26 5.528 2.736 6.622 1.00 0.00 C ATOM 391 C CYS A 26 6.587 1.652 6.784 1.00 0.00 C ATOM 392 O CYS A 26 6.407 0.562 6.248 1.00 0.00 O ATOM 393 CB CYS A 26 6.008 3.809 5.640 1.00 0.00 C ATOM 394 SG CYS A 26 4.648 4.863 5.068 1.00 0.00 S ATOM 0 H CYS A 26 5.446 4.292 8.010 1.00 0.00 H new ATOM 0 HA CYS A 26 4.617 2.304 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.768 4.426 6.120 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.481 3.330 4.783 1.00 0.00 H new ATOM 0 HG CYS A 26 4.888 6.098 5.397 1.00 0.00 H new ATOM 400 N ARG A 27 7.646 1.905 7.566 1.00 0.00 N ATOM 401 CA ARG A 27 8.667 0.893 7.819 1.00 0.00 C ATOM 402 C ARG A 27 8.044 -0.394 8.363 1.00 0.00 C ATOM 403 O ARG A 27 8.388 -1.467 7.861 1.00 0.00 O ATOM 404 CB ARG A 27 9.763 1.435 8.745 1.00 0.00 C ATOM 405 CG ARG A 27 10.964 0.478 8.715 1.00 0.00 C ATOM 406 CD ARG A 27 11.955 0.750 9.837 1.00 0.00 C ATOM 407 NE ARG A 27 12.902 1.824 9.531 1.00 0.00 N ATOM 408 CZ ARG A 27 13.909 2.169 10.336 1.00 0.00 C ATOM 409 NH1 ARG A 27 14.039 1.614 11.540 1.00 0.00 N ATOM 410 NH2 ARG A 27 14.778 3.082 9.930 1.00 0.00 N ATOM 0 H ARG A 27 7.813 2.798 8.029 1.00 0.00 H new ATOM 0 HA ARG A 27 9.141 0.645 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.068 2.431 8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.383 1.530 9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.608 -0.549 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.473 0.569 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.405 1.008 10.742 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.510 -0.163 10.050 1.00 0.00 H new ATOM 0 HE ARG A 27 12.786 2.336 8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.365 0.917 11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.813 1.886 12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.673 3.513 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.552 3.354 10.536 1.00 0.00 H new ATOM 424 N ARG A 28 7.115 -0.305 9.328 1.00 0.00 N ATOM 425 CA ARG A 28 6.385 -1.478 9.810 1.00 0.00 C ATOM 426 C ARG A 28 5.728 -2.182 8.645 1.00 0.00 C ATOM 427 O ARG A 28 5.967 -3.364 8.454 1.00 0.00 O ATOM 428 CB ARG A 28 5.301 -1.134 10.835 1.00 0.00 C ATOM 429 CG ARG A 28 4.650 -2.413 11.419 1.00 0.00 C ATOM 430 CD ARG A 28 4.864 -2.508 12.938 1.00 0.00 C ATOM 431 NE ARG A 28 4.912 -3.906 13.390 1.00 0.00 N ATOM 432 CZ ARG A 28 4.196 -4.498 14.351 1.00 0.00 C ATOM 433 NH1 ARG A 28 3.241 -3.865 15.025 1.00 0.00 N ATOM 434 NH2 ARG A 28 4.464 -5.765 14.620 1.00 0.00 N ATOM 0 H ARG A 28 6.855 0.568 9.787 1.00 0.00 H new ATOM 0 HA ARG A 28 7.119 -2.117 10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.735 -0.544 11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.536 -0.517 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.582 -2.412 11.200 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.074 -3.293 10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.793 -2.006 13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.058 -1.986 13.453 1.00 0.00 H new ATOM 0 HE ARG A 28 5.581 -4.504 12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.031 -2.889 14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.719 -4.355 15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.194 -6.253 14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.941 -6.254 15.346 1.00 0.00 H new ATOM 448 N ALA A 29 4.877 -1.479 7.897 1.00 0.00 N ATOM 449 CA ALA A 29 4.167 -2.087 6.777 1.00 0.00 C ATOM 450 C ALA A 29 5.124 -2.758 5.797 1.00 0.00 C ATOM 451 O ALA A 29 4.756 -3.762 5.205 1.00 0.00 O ATOM 452 CB ALA A 29 3.318 -1.069 6.028 1.00 0.00 C ATOM 0 H ALA A 29 4.665 -0.493 8.047 1.00 0.00 H new ATOM 0 HA ALA A 29 3.513 -2.845 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.805 -1.561 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.582 -0.639 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.958 -0.277 5.638 1.00 0.00 H new ATOM 458 N GLN A 30 6.331 -2.232 5.617 1.00 0.00 N ATOM 459 CA GLN A 30 7.336 -2.826 4.754 1.00 0.00 C ATOM 460 C GLN A 30 7.908 -4.124 5.275 1.00 0.00 C ATOM 461 O GLN A 30 8.161 -5.001 4.457 1.00 0.00 O ATOM 462 CB GLN A 30 8.458 -1.818 4.491 1.00 0.00 C ATOM 463 CG GLN A 30 8.176 -1.169 3.142 1.00 0.00 C ATOM 464 CD GLN A 30 8.670 0.277 3.084 1.00 0.00 C ATOM 465 OE1 GLN A 30 8.021 1.207 3.560 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.854 0.491 2.535 1.00 0.00 N ATOM 0 H GLN A 30 6.638 -1.373 6.072 1.00 0.00 H new ATOM 0 HA GLN A 30 6.828 -3.079 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.492 -1.066 5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.428 -2.316 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.658 -1.748 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.104 -1.193 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.383 -0.288 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.238 1.435 2.503 1.00 0.00 H new ATOM 475 N GLU A 31 8.125 -4.282 6.576 1.00 0.00 N ATOM 476 CA GLU A 31 8.504 -5.593 7.085 1.00 0.00 C ATOM 477 C GLU A 31 7.281 -6.491 7.058 1.00 0.00 C ATOM 478 O GLU A 31 7.340 -7.562 6.476 1.00 0.00 O ATOM 479 CB GLU A 31 9.203 -5.537 8.461 1.00 0.00 C ATOM 480 CG GLU A 31 8.400 -4.862 9.585 1.00 0.00 C ATOM 481 CD GLU A 31 9.042 -4.997 10.962 1.00 0.00 C ATOM 482 OE1 GLU A 31 9.004 -6.102 11.555 1.00 0.00 O ATOM 483 OE2 GLU A 31 9.513 -3.980 11.515 1.00 0.00 O ATOM 0 H GLU A 31 8.048 -3.545 7.277 1.00 0.00 H new ATOM 0 HA GLU A 31 9.266 -6.021 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.441 -6.555 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.150 -5.009 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.282 -3.804 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.400 -5.295 9.616 1.00 0.00 H new ATOM 490 N ILE A 32 6.153 -6.026 7.584 1.00 0.00 N ATOM 491 CA ILE A 32 4.896 -6.749 7.659 1.00 0.00 C ATOM 492 C ILE A 32 4.555 -7.344 6.297 1.00 0.00 C ATOM 493 O ILE A 32 4.278 -8.543 6.203 1.00 0.00 O ATOM 494 CB ILE A 32 3.811 -5.794 8.203 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.822 -5.847 9.747 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.412 -6.036 7.631 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.722 -5.013 10.415 1.00 0.00 C ATOM 0 H ILE A 32 6.091 -5.091 7.987 1.00 0.00 H new ATOM 0 HA ILE A 32 4.966 -7.592 8.347 1.00 0.00 H new ATOM 0 HB ILE A 32 4.064 -4.789 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.718 -6.885 10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.792 -5.500 10.104 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.712 -5.322 8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.434 -5.908 6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.092 -7.050 7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.802 -5.106 11.498 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.836 -3.967 10.131 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.745 -5.373 10.091 1.00 0.00 H new ATOM 509 N LEU A 33 4.545 -6.504 5.257 1.00 0.00 N ATOM 510 CA LEU A 33 4.146 -6.964 3.947 1.00 0.00 C ATOM 511 C LEU A 33 5.332 -7.703 3.327 1.00 0.00 C ATOM 512 O LEU A 33 5.116 -8.789 2.781 1.00 0.00 O ATOM 513 CB LEU A 33 3.645 -5.854 2.991 1.00 0.00 C ATOM 514 CG LEU A 33 2.139 -5.501 3.079 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.787 -4.395 2.090 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.233 -6.703 2.766 1.00 0.00 C ATOM 0 H LEU A 33 4.806 -5.519 5.306 1.00 0.00 H new ATOM 0 HA LEU A 33 3.284 -7.617 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.221 -4.949 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.866 -6.158 1.968 1.00 0.00 H new ATOM 0 HG LEU A 33 1.967 -5.180 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.725 -4.162 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.372 -3.504 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.012 -4.728 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.188 -6.401 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.436 -7.058 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.432 -7.504 3.478 1.00 0.00 H new ATOM 528 N SER A 34 6.569 -7.162 3.375 1.00 0.00 N ATOM 529 CA SER A 34 7.678 -7.872 2.712 1.00 0.00 C ATOM 530 C SER A 34 8.174 -9.125 3.473 1.00 0.00 C ATOM 531 O SER A 34 9.185 -9.713 3.079 1.00 0.00 O ATOM 532 CB SER A 34 8.821 -6.916 2.366 1.00 0.00 C ATOM 533 OG SER A 34 9.600 -7.437 1.305 1.00 0.00 O ATOM 0 H SER A 34 6.815 -6.287 3.838 1.00 0.00 H new ATOM 0 HA SER A 34 7.267 -8.259 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.417 -5.944 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.449 -6.759 3.243 1.00 0.00 H new ATOM 0 HG SER A 34 9.789 -8.384 1.472 1.00 0.00 H new ATOM 539 N GLN A 35 7.523 -9.546 4.557 1.00 0.00 N ATOM 540 CA GLN A 35 7.776 -10.800 5.265 1.00 0.00 C ATOM 541 C GLN A 35 7.143 -12.006 4.568 1.00 0.00 C ATOM 542 O GLN A 35 7.436 -13.133 4.964 1.00 0.00 O ATOM 543 CB GLN A 35 7.238 -10.686 6.705 1.00 0.00 C ATOM 544 CG GLN A 35 8.255 -10.065 7.679 1.00 0.00 C ATOM 545 CD GLN A 35 9.006 -11.127 8.471 1.00 0.00 C ATOM 546 OE1 GLN A 35 9.593 -12.041 7.908 1.00 0.00 O ATOM 547 NE2 GLN A 35 8.973 -11.068 9.792 1.00 0.00 N ATOM 0 H GLN A 35 6.774 -9.000 4.983 1.00 0.00 H new ATOM 0 HA GLN A 35 8.853 -10.965 5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.331 -10.082 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.959 -11.677 7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.967 -9.457 7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.737 -9.397 8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.482 -10.304 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.438 -11.787 10.346 1.00 0.00 H new ATOM 556 N LEU A 36 6.248 -11.810 3.594 1.00 0.00 N ATOM 557 CA LEU A 36 5.299 -12.836 3.186 1.00 0.00 C ATOM 558 C LEU A 36 5.424 -13.143 1.690 1.00 0.00 C ATOM 559 O LEU A 36 5.748 -12.236 0.919 1.00 0.00 O ATOM 560 CB LEU A 36 3.895 -12.338 3.562 1.00 0.00 C ATOM 561 CG LEU A 36 3.680 -12.200 5.086 1.00 0.00 C ATOM 562 CD1 LEU A 36 2.306 -11.601 5.365 1.00 0.00 C ATOM 563 CD2 LEU A 36 3.786 -13.545 5.813 1.00 0.00 C ATOM 0 H LEU A 36 6.166 -10.938 3.072 1.00 0.00 H new ATOM 0 HA LEU A 36 5.504 -13.776 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.722 -11.371 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.153 -13.027 3.159 1.00 0.00 H new ATOM 0 HG LEU A 36 4.468 -11.547 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.162 -11.507 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.237 -10.616 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.535 -12.251 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.627 -13.395 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.030 -14.228 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.776 -13.970 5.649 1.00 0.00 H new ATOM 575 N PRO A 37 5.157 -14.389 1.258 1.00 0.00 N ATOM 576 CA PRO A 37 5.410 -14.831 -0.107 1.00 0.00 C ATOM 577 C PRO A 37 4.329 -14.283 -1.041 1.00 0.00 C ATOM 578 O PRO A 37 3.235 -14.838 -1.133 1.00 0.00 O ATOM 579 CB PRO A 37 5.428 -16.361 -0.035 1.00 0.00 C ATOM 580 CG PRO A 37 4.474 -16.681 1.116 1.00 0.00 C ATOM 581 CD PRO A 37 4.666 -15.501 2.069 1.00 0.00 C ATOM 0 HA PRO A 37 6.353 -14.465 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.092 -16.810 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.431 -16.741 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.442 -16.758 0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.723 -17.629 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.727 -15.240 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.377 -15.750 2.857 1.00 0.00 H new ATOM 589 N ILE A 38 4.602 -13.166 -1.713 1.00 0.00 N ATOM 590 CA ILE A 38 3.656 -12.489 -2.598 1.00 0.00 C ATOM 591 C ILE A 38 4.374 -12.402 -3.942 1.00 0.00 C ATOM 592 O ILE A 38 5.601 -12.239 -3.957 1.00 0.00 O ATOM 593 CB ILE A 38 3.340 -11.103 -1.986 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.243 -11.312 -0.920 1.00 0.00 C ATOM 595 CG2 ILE A 38 2.857 -10.056 -3.023 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.212 -10.190 0.112 1.00 0.00 C ATOM 0 H ILE A 38 5.506 -12.697 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 38 2.702 -13.000 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 38 4.262 -10.702 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.272 -11.377 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.409 -12.263 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.656 -9.111 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.630 -9.908 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.946 -10.413 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.423 -10.385 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.173 -10.140 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.018 -9.241 -0.388 1.00 0.00 H new ATOM 608 N LYS A 39 3.623 -12.498 -5.051 1.00 0.00 N ATOM 609 CA LYS A 39 4.184 -12.610 -6.386 1.00 0.00 C ATOM 610 C LYS A 39 5.285 -11.586 -6.630 1.00 0.00 C ATOM 611 O LYS A 39 5.105 -10.405 -6.312 1.00 0.00 O ATOM 612 CB LYS A 39 3.094 -12.544 -7.459 1.00 0.00 C ATOM 613 CG LYS A 39 2.801 -13.913 -8.063 1.00 0.00 C ATOM 614 CD LYS A 39 3.753 -14.335 -9.184 1.00 0.00 C ATOM 615 CE LYS A 39 3.735 -13.432 -10.429 1.00 0.00 C ATOM 616 NZ LYS A 39 4.654 -13.928 -11.475 1.00 0.00 N ATOM 0 H LYS A 39 2.603 -12.499 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 39 4.650 -13.593 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.181 -12.137 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.404 -11.859 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.841 -14.660 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.782 -13.913 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.768 -14.361 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.504 -15.352 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.722 -13.382 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.017 -12.418 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.616 -13.295 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.624 -13.952 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.369 -14.886 -11.761 1.00 0.00 H new ATOM 630 N GLN A 40 6.395 -12.041 -7.207 1.00 0.00 N ATOM 631 CA GLN A 40 7.589 -11.259 -7.464 1.00 0.00 C ATOM 632 C GLN A 40 7.193 -9.950 -8.157 1.00 0.00 C ATOM 633 O GLN A 40 6.665 -9.949 -9.275 1.00 0.00 O ATOM 634 CB GLN A 40 8.592 -12.106 -8.275 1.00 0.00 C ATOM 635 CG GLN A 40 10.049 -11.630 -8.173 1.00 0.00 C ATOM 636 CD GLN A 40 10.241 -10.165 -8.563 1.00 0.00 C ATOM 637 OE1 GLN A 40 9.827 -9.718 -9.627 1.00 0.00 O ATOM 638 NE2 GLN A 40 10.814 -9.363 -7.687 1.00 0.00 N ATOM 0 H GLN A 40 6.485 -13.008 -7.520 1.00 0.00 H new ATOM 0 HA GLN A 40 8.090 -10.987 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.535 -13.140 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.292 -12.098 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.399 -11.774 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.672 -12.253 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.158 -9.736 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.913 -8.369 -7.894 1.00 0.00 H new ATOM 647 N GLY A 41 7.430 -8.832 -7.472 1.00 0.00 N ATOM 648 CA GLY A 41 7.222 -7.505 -8.019 1.00 0.00 C ATOM 649 C GLY A 41 5.770 -7.031 -7.973 1.00 0.00 C ATOM 650 O GLY A 41 5.478 -5.979 -8.546 1.00 0.00 O ATOM 0 H GLY A 41 7.775 -8.829 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.842 -6.796 -7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.564 -7.493 -9.054 1.00 0.00 H new ATOM 654 N LEU A 42 4.834 -7.723 -7.308 1.00 0.00 N ATOM 655 CA LEU A 42 3.559 -7.100 -7.016 1.00 0.00 C ATOM 656 C LEU A 42 3.724 -6.077 -5.906 1.00 0.00 C ATOM 657 O LEU A 42 2.981 -5.107 -5.916 1.00 0.00 O ATOM 658 CB LEU A 42 2.501 -8.073 -6.523 1.00 0.00 C ATOM 659 CG LEU A 42 2.073 -9.210 -7.440 1.00 0.00 C ATOM 660 CD1 LEU A 42 0.729 -9.727 -6.929 1.00 0.00 C ATOM 661 CD2 LEU A 42 1.948 -8.832 -8.912 1.00 0.00 C ATOM 0 H LEU A 42 4.939 -8.682 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 42 3.236 -6.661 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.864 -8.515 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.611 -7.496 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 42 2.857 -9.967 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.389 -10.546 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.842 -10.084 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.004 -8.921 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.639 -9.705 -9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.205 -8.043 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.911 -8.478 -9.280 1.00 0.00 H new ATOM 673 N LEU A 43 4.630 -6.299 -4.946 1.00 0.00 N ATOM 674 CA LEU A 43 4.708 -5.447 -3.769 1.00 0.00 C ATOM 675 C LEU A 43 5.548 -4.245 -4.183 1.00 0.00 C ATOM 676 O LEU A 43 6.732 -4.404 -4.490 1.00 0.00 O ATOM 677 CB LEU A 43 5.301 -6.182 -2.546 1.00 0.00 C ATOM 678 CG LEU A 43 4.579 -5.901 -1.204 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.091 -4.459 -1.017 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.408 -6.870 -0.989 1.00 0.00 C ATOM 0 H LEU A 43 5.312 -7.057 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 43 3.714 -5.140 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.276 -7.255 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.349 -5.901 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 43 5.348 -6.061 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.600 -4.364 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.941 -3.779 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.385 -4.208 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.921 -6.648 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.689 -6.757 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.781 -7.894 -0.975 1.00 0.00 H new ATOM 692 N GLU A 44 4.923 -3.078 -4.310 1.00 0.00 N ATOM 693 CA GLU A 44 5.548 -1.902 -4.884 1.00 0.00 C ATOM 694 C GLU A 44 5.344 -0.733 -3.924 1.00 0.00 C ATOM 695 O GLU A 44 4.239 -0.207 -3.782 1.00 0.00 O ATOM 696 CB GLU A 44 4.987 -1.723 -6.290 1.00 0.00 C ATOM 697 CG GLU A 44 5.888 -0.801 -7.099 1.00 0.00 C ATOM 698 CD GLU A 44 5.446 -0.797 -8.560 1.00 0.00 C ATOM 699 OE1 GLU A 44 4.409 -0.181 -8.891 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.146 -1.459 -9.365 1.00 0.00 O ATOM 0 H GLU A 44 3.959 -2.926 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 44 6.628 -1.986 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.907 -2.691 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.981 -1.307 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.846 0.210 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.924 -1.132 -7.024 1.00 0.00 H new ATOM 707 N PHE A 45 6.400 -0.399 -3.184 1.00 0.00 N ATOM 708 CA PHE A 45 6.400 0.602 -2.131 1.00 0.00 C ATOM 709 C PHE A 45 6.697 1.963 -2.773 1.00 0.00 C ATOM 710 O PHE A 45 7.859 2.335 -2.953 1.00 0.00 O ATOM 711 CB PHE A 45 7.415 0.190 -1.051 1.00 0.00 C ATOM 712 CG PHE A 45 7.116 -1.146 -0.387 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.065 -1.252 0.544 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.892 -2.284 -0.684 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.794 -2.479 1.178 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.634 -3.506 -0.034 1.00 0.00 C ATOM 717 CZ PHE A 45 6.593 -3.602 0.906 1.00 0.00 C ATOM 0 H PHE A 45 7.312 -0.838 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 45 5.434 0.681 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.407 0.145 -1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.447 0.964 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.462 -0.386 0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.687 -2.219 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.972 -2.557 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.238 -4.373 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.408 -4.535 1.417 1.00 0.00 H new ATOM 727 N VAL A 46 5.651 2.676 -3.184 1.00 0.00 N ATOM 728 CA VAL A 46 5.717 3.877 -3.999 1.00 0.00 C ATOM 729 C VAL A 46 5.958 5.087 -3.094 1.00 0.00 C ATOM 730 O VAL A 46 5.089 5.467 -2.307 1.00 0.00 O ATOM 731 CB VAL A 46 4.435 3.998 -4.846 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.449 5.280 -5.684 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.302 2.820 -5.819 1.00 0.00 C ATOM 0 H VAL A 46 4.694 2.417 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 46 6.552 3.827 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 46 3.600 4.009 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.533 5.340 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.514 6.145 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.309 5.268 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.389 2.932 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.162 2.803 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.261 1.887 -5.257 1.00 0.00 H new ATOM 743 N ASP A 47 7.146 5.680 -3.203 1.00 0.00 N ATOM 744 CA ASP A 47 7.566 6.834 -2.412 1.00 0.00 C ATOM 745 C ASP A 47 6.843 8.126 -2.810 1.00 0.00 C ATOM 746 O ASP A 47 7.023 8.627 -3.927 1.00 0.00 O ATOM 747 CB ASP A 47 9.082 7.015 -2.512 1.00 0.00 C ATOM 748 CG ASP A 47 9.620 7.985 -1.458 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.837 8.740 -0.843 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.853 7.992 -1.264 1.00 0.00 O ATOM 0 H ASP A 47 7.859 5.363 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 47 7.289 6.630 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.570 6.047 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.337 7.383 -3.506 1.00 0.00 H new ATOM 755 N ILE A 48 6.041 8.676 -1.896 1.00 0.00 N ATOM 756 CA ILE A 48 5.360 9.963 -2.023 1.00 0.00 C ATOM 757 C ILE A 48 6.329 11.151 -1.940 1.00 0.00 C ATOM 758 O ILE A 48 6.106 12.177 -2.585 1.00 0.00 O ATOM 759 CB ILE A 48 4.244 10.089 -0.949 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.766 10.229 0.505 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.267 8.901 -1.079 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.665 10.348 1.562 1.00 0.00 C ATOM 0 H ILE A 48 5.841 8.215 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 48 4.908 9.994 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 48 3.724 11.026 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.387 9.365 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.407 11.108 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.484 8.989 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.817 8.907 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.809 7.967 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.117 10.442 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.057 11.229 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.036 9.458 1.534 1.00 0.00 H new ATOM 774 N THR A 49 7.381 11.054 -1.126 1.00 0.00 N ATOM 775 CA THR A 49 8.222 12.179 -0.732 1.00 0.00 C ATOM 776 C THR A 49 9.537 12.200 -1.512 1.00 0.00 C ATOM 777 O THR A 49 10.338 13.112 -1.299 1.00 0.00 O ATOM 778 CB THR A 49 8.377 12.233 0.802 1.00 0.00 C ATOM 779 OG1 THR A 49 9.088 13.388 1.184 1.00 0.00 O ATOM 780 CG2 THR A 49 9.082 11.028 1.416 1.00 0.00 C ATOM 0 H THR A 49 7.677 10.169 -0.714 1.00 0.00 H new ATOM 0 HA THR A 49 7.727 13.110 -1.008 1.00 0.00 H new ATOM 0 HB THR A 49 7.355 12.239 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.737 13.618 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.145 11.155 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.519 10.123 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.087 10.944 1.002 1.00 0.00 H new ATOM 788 N ALA A 50 9.723 11.293 -2.474 1.00 0.00 N ATOM 789 CA ALA A 50 10.725 11.377 -3.530 1.00 0.00 C ATOM 790 C ALA A 50 10.382 12.510 -4.518 1.00 0.00 C ATOM 791 O ALA A 50 10.294 12.294 -5.730 1.00 0.00 O ATOM 792 CB ALA A 50 10.809 10.015 -4.224 1.00 0.00 C ATOM 0 H ALA A 50 9.155 10.448 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 50 11.700 11.619 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.554 10.057 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.095 9.254 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.838 9.763 -4.650 1.00 0.00 H new ATOM 798 N THR A 51 10.168 13.720 -3.992 1.00 0.00 N ATOM 799 CA THR A 51 9.861 14.961 -4.695 1.00 0.00 C ATOM 800 C THR A 51 8.541 14.864 -5.499 1.00 0.00 C ATOM 801 O THR A 51 8.219 15.716 -6.326 1.00 0.00 O ATOM 802 CB THR A 51 11.160 15.430 -5.385 1.00 0.00 C ATOM 803 OG1 THR A 51 11.483 16.735 -4.953 1.00 0.00 O ATOM 804 CG2 THR A 51 11.093 15.451 -6.901 1.00 0.00 C ATOM 0 H THR A 51 10.209 13.864 -2.983 1.00 0.00 H new ATOM 0 HA THR A 51 9.590 15.788 -4.038 1.00 0.00 H new ATOM 0 HB THR A 51 11.917 14.699 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.309 17.030 -5.391 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.047 15.792 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.882 14.447 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.301 16.129 -7.221 1.00 0.00 H new ATOM 812 N ASN A 52 7.712 13.843 -5.249 1.00 0.00 N ATOM 813 CA ASN A 52 6.592 13.508 -6.126 1.00 0.00 C ATOM 814 C ASN A 52 5.310 14.308 -5.843 1.00 0.00 C ATOM 815 O ASN A 52 4.258 13.963 -6.386 1.00 0.00 O ATOM 816 CB ASN A 52 6.338 11.991 -6.104 1.00 0.00 C ATOM 817 CG ASN A 52 6.090 11.514 -7.525 1.00 0.00 C ATOM 818 OD1 ASN A 52 6.943 10.855 -8.112 1.00 0.00 O ATOM 819 ND2 ASN A 52 5.002 11.919 -8.148 1.00 0.00 N ATOM 0 H ASN A 52 7.801 13.232 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 52 6.885 13.806 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.195 11.471 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.479 11.762 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.860 11.685 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.301 12.466 -7.648 1.00 0.00 H new ATOM 826 N HIS A 53 5.400 15.356 -5.014 1.00 0.00 N ATOM 827 CA HIS A 53 4.323 16.069 -4.327 1.00 0.00 C ATOM 828 C HIS A 53 3.706 15.129 -3.283 1.00 0.00 C ATOM 829 O HIS A 53 2.656 14.527 -3.515 1.00 0.00 O ATOM 830 CB HIS A 53 3.232 16.598 -5.271 1.00 0.00 C ATOM 831 CG HIS A 53 3.536 17.787 -6.133 1.00 0.00 C ATOM 832 ND1 HIS A 53 2.579 18.441 -6.867 1.00 0.00 N ATOM 833 CD2 HIS A 53 4.737 18.403 -6.351 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.187 19.442 -7.518 1.00 0.00 C ATOM 835 NE2 HIS A 53 4.507 19.444 -7.259 1.00 0.00 N ATOM 0 H HIS A 53 6.310 15.759 -4.789 1.00 0.00 H new ATOM 0 HA HIS A 53 4.761 16.949 -3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.940 15.780 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.361 16.845 -4.663 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.587 18.208 -6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.685 18.137 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.686 20.150 -8.162 1.00 0.00 H new ATOM 843 N THR A 54 4.359 14.990 -2.128 1.00 0.00 N ATOM 844 CA THR A 54 3.911 14.109 -1.053 1.00 0.00 C ATOM 845 C THR A 54 2.546 14.584 -0.593 1.00 0.00 C ATOM 846 O THR A 54 1.569 13.843 -0.649 1.00 0.00 O ATOM 847 CB THR A 54 4.921 13.953 0.097 1.00 0.00 C ATOM 848 OG1 THR A 54 4.339 13.784 1.376 1.00 0.00 O ATOM 849 CG2 THR A 54 5.902 15.088 0.260 1.00 0.00 C ATOM 0 H THR A 54 5.221 15.491 -1.913 1.00 0.00 H new ATOM 0 HA THR A 54 3.832 13.095 -1.444 1.00 0.00 H new ATOM 0 HB THR A 54 5.435 13.049 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.047 13.691 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.567 14.877 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.490 15.195 -0.652 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.359 16.013 0.452 1.00 0.00 H new ATOM 857 N ASN A 55 2.503 15.799 -0.054 1.00 0.00 N ATOM 858 CA ASN A 55 1.324 16.238 0.682 1.00 0.00 C ATOM 859 C ASN A 55 0.082 16.420 -0.212 1.00 0.00 C ATOM 860 O ASN A 55 -1.049 16.311 0.262 1.00 0.00 O ATOM 861 CB ASN A 55 1.614 17.472 1.544 1.00 0.00 C ATOM 862 CG ASN A 55 0.830 17.443 2.858 1.00 0.00 C ATOM 863 OD1 ASN A 55 0.100 16.506 3.183 1.00 0.00 O ATOM 864 ND2 ASN A 55 1.044 18.432 3.703 1.00 0.00 N ATOM 0 H ASN A 55 3.256 16.485 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 55 1.073 15.426 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.681 17.523 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.357 18.373 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.605 18.420 4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.648 19.209 3.436 1.00 0.00 H new ATOM 871 N GLU A 56 0.253 16.647 -1.514 1.00 0.00 N ATOM 872 CA GLU A 56 -0.764 16.546 -2.536 1.00 0.00 C ATOM 873 C GLU A 56 -1.254 15.103 -2.682 1.00 0.00 C ATOM 874 O GLU A 56 -2.458 14.857 -2.699 1.00 0.00 O ATOM 875 CB GLU A 56 -0.090 17.026 -3.837 1.00 0.00 C ATOM 876 CG GLU A 56 -0.988 17.854 -4.736 1.00 0.00 C ATOM 877 CD GLU A 56 -1.081 17.315 -6.169 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.055 17.213 -6.883 1.00 0.00 O ATOM 879 OE2 GLU A 56 -2.195 16.959 -6.614 1.00 0.00 O ATOM 0 H GLU A 56 1.159 16.921 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.640 17.145 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.790 17.615 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.260 16.156 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.988 17.890 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.616 18.878 -4.765 1.00 0.00 H new ATOM 886 N ILE A 57 -0.330 14.140 -2.787 1.00 0.00 N ATOM 887 CA ILE A 57 -0.639 12.717 -2.891 1.00 0.00 C ATOM 888 C ILE A 57 -1.395 12.276 -1.634 1.00 0.00 C ATOM 889 O ILE A 57 -2.326 11.482 -1.738 1.00 0.00 O ATOM 890 CB ILE A 57 0.668 11.921 -3.155 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.974 11.957 -4.669 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.575 10.471 -2.648 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.375 11.451 -5.039 1.00 0.00 C ATOM 0 H ILE A 57 0.671 14.336 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.295 12.513 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 57 1.481 12.390 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.232 11.354 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.863 12.981 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.511 9.953 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.390 10.472 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.242 9.959 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.509 11.509 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.127 12.068 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.485 10.416 -4.715 1.00 0.00 H new ATOM 905 N GLN A 58 -1.018 12.798 -0.469 1.00 0.00 N ATOM 906 CA GLN A 58 -1.561 12.450 0.833 1.00 0.00 C ATOM 907 C GLN A 58 -3.063 12.779 0.770 1.00 0.00 C ATOM 908 O GLN A 58 -3.914 11.948 1.088 1.00 0.00 O ATOM 909 CB GLN A 58 -0.860 13.347 1.874 1.00 0.00 C ATOM 910 CG GLN A 58 0.396 12.744 2.517 1.00 0.00 C ATOM 911 CD GLN A 58 0.144 11.409 3.190 1.00 0.00 C ATOM 912 OE1 GLN A 58 0.822 10.432 2.907 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.796 11.337 4.110 1.00 0.00 N ATOM 0 H GLN A 58 -0.290 13.510 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.411 11.403 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.587 14.287 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.573 13.586 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.162 12.618 1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.791 13.445 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.353 12.161 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.966 10.457 4.597 1.00 0.00 H new ATOM 922 N ASP A 59 -3.390 13.993 0.316 1.00 0.00 N ATOM 923 CA ASP A 59 -4.761 14.476 0.187 1.00 0.00 C ATOM 924 C ASP A 59 -5.541 13.707 -0.859 1.00 0.00 C ATOM 925 O ASP A 59 -6.709 13.358 -0.689 1.00 0.00 O ATOM 926 CB ASP A 59 -4.768 15.936 -0.263 1.00 0.00 C ATOM 927 CG ASP A 59 -6.099 16.574 0.140 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.504 16.439 1.316 1.00 0.00 O ATOM 929 OD2 ASP A 59 -6.785 17.121 -0.757 1.00 0.00 O ATOM 0 H ASP A 59 -2.693 14.678 0.023 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.220 14.348 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.938 16.475 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.632 15.998 -1.343 1.00 0.00 H new ATOM 934 N TYR A 60 -4.893 13.479 -1.989 1.00 0.00 N ATOM 935 CA TYR A 60 -5.483 12.721 -3.079 1.00 0.00 C ATOM 936 C TYR A 60 -5.879 11.317 -2.608 1.00 0.00 C ATOM 937 O TYR A 60 -6.990 10.870 -2.894 1.00 0.00 O ATOM 938 CB TYR A 60 -4.526 12.688 -4.270 1.00 0.00 C ATOM 939 CG TYR A 60 -5.151 12.043 -5.487 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.186 12.712 -6.165 1.00 0.00 C ATOM 941 CD2 TYR A 60 -4.747 10.759 -5.901 1.00 0.00 C ATOM 942 CE1 TYR A 60 -6.844 12.087 -7.235 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.385 10.140 -6.990 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.446 10.798 -7.651 1.00 0.00 C ATOM 945 OH TYR A 60 -7.044 10.209 -8.718 1.00 0.00 O ATOM 0 H TYR A 60 -3.947 13.812 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.398 13.213 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.220 13.705 -4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.624 12.142 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.474 13.708 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.948 10.250 -5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.654 12.592 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.065 9.163 -7.321 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.340 10.898 -9.349 1.00 0.00 H new ATOM 955 N LEU A 61 -5.018 10.642 -1.837 1.00 0.00 N ATOM 956 CA LEU A 61 -5.300 9.338 -1.241 1.00 0.00 C ATOM 957 C LEU A 61 -6.484 9.418 -0.279 1.00 0.00 C ATOM 958 O LEU A 61 -7.257 8.457 -0.220 1.00 0.00 O ATOM 959 CB LEU A 61 -4.059 8.774 -0.522 1.00 0.00 C ATOM 960 CG LEU A 61 -2.937 8.308 -1.467 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.610 8.183 -0.710 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.275 6.957 -2.098 1.00 0.00 C ATOM 0 H LEU A 61 -4.089 10.997 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.563 8.657 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.662 9.538 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.365 7.934 0.102 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.842 9.057 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.830 7.852 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.338 9.151 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.717 7.456 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.465 6.652 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.402 6.211 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.199 7.044 -2.670 1.00 0.00 H new ATOM 974 N GLN A 62 -6.679 10.543 0.425 1.00 0.00 N ATOM 975 CA GLN A 62 -7.876 10.751 1.235 1.00 0.00 C ATOM 976 C GLN A 62 -9.116 10.604 0.388 1.00 0.00 C ATOM 977 O GLN A 62 -10.021 9.877 0.779 1.00 0.00 O ATOM 978 CB GLN A 62 -7.883 12.104 1.961 1.00 0.00 C ATOM 979 CG GLN A 62 -9.061 12.284 2.927 1.00 0.00 C ATOM 980 CD GLN A 62 -10.251 13.009 2.293 1.00 0.00 C ATOM 981 OE1 GLN A 62 -10.258 14.235 2.203 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.265 12.290 1.840 1.00 0.00 N ATOM 0 H GLN A 62 -6.019 11.320 0.446 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.868 9.981 2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.951 12.213 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.908 12.903 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.386 11.306 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.725 12.844 3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.246 11.273 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.066 12.752 1.409 1.00 0.00 H new ATOM 991 N GLN A 63 -9.172 11.298 -0.739 1.00 0.00 N ATOM 992 CA GLN A 63 -10.331 11.234 -1.608 1.00 0.00 C ATOM 993 C GLN A 63 -10.481 9.810 -2.163 1.00 0.00 C ATOM 994 O GLN A 63 -11.553 9.205 -2.089 1.00 0.00 O ATOM 995 CB GLN A 63 -10.180 12.293 -2.712 1.00 0.00 C ATOM 996 CG GLN A 63 -11.512 12.988 -3.014 1.00 0.00 C ATOM 997 CD GLN A 63 -12.079 13.790 -1.840 1.00 0.00 C ATOM 998 OE1 GLN A 63 -13.248 13.643 -1.491 1.00 0.00 O ATOM 999 NE2 GLN A 63 -11.307 14.661 -1.208 1.00 0.00 N ATOM 0 H GLN A 63 -8.427 11.911 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.246 11.456 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.443 13.035 -2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.801 11.822 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.376 13.656 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.242 12.236 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.336 14.785 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.683 15.208 -0.434 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.388 9.262 -2.695 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.400 8.048 -3.499 1.00 0.00 C ATOM 1010 C LEU A 64 -9.634 6.800 -2.619 1.00 0.00 C ATOM 1011 O LEU A 64 -10.018 5.765 -3.162 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.079 8.017 -4.304 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.587 6.647 -4.795 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.453 6.146 -5.955 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.146 6.748 -5.298 1.00 0.00 C ATOM 0 H LEU A 64 -8.456 9.659 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.232 8.041 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.198 8.664 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.296 8.455 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.649 5.956 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.088 5.174 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.487 6.051 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.401 6.856 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.811 5.769 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.097 7.459 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.501 7.087 -4.488 1.00 0.00 H new ATOM 1027 N THR A 65 -9.439 6.863 -1.292 1.00 0.00 N ATOM 1028 CA THR A 65 -9.628 5.710 -0.400 1.00 0.00 C ATOM 1029 C THR A 65 -10.518 5.988 0.816 1.00 0.00 C ATOM 1030 O THR A 65 -11.136 5.069 1.352 1.00 0.00 O ATOM 1031 CB THR A 65 -8.264 5.167 0.052 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.581 6.046 0.923 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.342 4.870 -1.124 1.00 0.00 C ATOM 0 H THR A 65 -9.147 7.713 -0.809 1.00 0.00 H new ATOM 0 HA THR A 65 -10.160 4.962 -0.988 1.00 0.00 H new ATOM 0 HB THR A 65 -8.501 4.245 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.625 6.958 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.391 4.489 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.805 4.124 -1.770 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.170 5.785 -1.691 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.608 7.233 1.270 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.401 7.645 2.415 1.00 0.00 C ATOM 1043 C GLY A 66 -10.533 8.147 3.567 1.00 0.00 C ATOM 1044 O GLY A 66 -11.094 8.666 4.531 1.00 0.00 O ATOM 0 H GLY A 66 -10.111 8.009 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.091 8.433 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.006 6.805 2.757 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.198 8.039 3.525 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.327 8.679 4.509 1.00 0.00 C ATOM 1050 C ALA A 67 -6.936 8.904 3.931 1.00 0.00 C ATOM 1051 O ALA A 67 -6.468 8.121 3.108 1.00 0.00 O ATOM 1052 CB ALA A 67 -8.208 7.807 5.752 1.00 0.00 C ATOM 0 H ALA A 67 -8.698 7.508 2.811 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.768 9.640 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.557 8.294 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.195 7.662 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.787 6.840 5.479 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.281 9.985 4.362 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.939 10.321 3.889 1.00 0.00 C ATOM 1060 C ARG A 68 -3.864 9.399 4.453 1.00 0.00 C ATOM 1061 O ARG A 68 -2.755 9.377 3.929 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.573 11.790 4.200 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.667 12.259 5.668 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.939 13.076 5.984 1.00 0.00 C ATOM 1065 NE ARG A 68 -7.065 12.282 6.521 1.00 0.00 N ATOM 1066 CZ ARG A 68 -8.348 12.684 6.533 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -8.702 13.882 6.081 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -9.289 11.869 6.977 1.00 0.00 N ATOM 0 H ARG A 68 -6.662 10.644 5.041 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.968 10.181 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.552 11.960 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.221 12.431 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.636 11.386 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.791 12.864 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.685 13.854 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.267 13.578 5.074 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.853 11.363 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.994 14.519 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.682 14.165 6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.041 10.937 7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.263 12.172 6.987 1.00 0.00 H new ATOM 1082 N THR A 69 -4.122 8.720 5.570 1.00 0.00 N ATOM 1083 CA THR A 69 -3.037 8.206 6.381 1.00 0.00 C ATOM 1084 C THR A 69 -2.335 7.052 5.665 1.00 0.00 C ATOM 1085 O THR A 69 -2.976 6.141 5.138 1.00 0.00 O ATOM 1086 CB THR A 69 -3.595 7.848 7.765 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.852 7.199 7.688 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.828 9.136 8.560 1.00 0.00 C ATOM 0 H THR A 69 -5.058 8.519 5.923 1.00 0.00 H new ATOM 0 HA THR A 69 -2.262 8.958 6.531 1.00 0.00 H new ATOM 0 HB THR A 69 -2.868 7.185 8.235 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.167 6.989 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.225 8.889 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.884 9.670 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.541 9.767 8.030 1.00 0.00 H new ATOM 1096 N VAL A 70 -1.006 7.106 5.668 1.00 0.00 N ATOM 1097 CA VAL A 70 -0.098 6.135 5.071 1.00 0.00 C ATOM 1098 C VAL A 70 0.454 5.257 6.196 1.00 0.00 C ATOM 1099 O VAL A 70 0.421 5.692 7.354 1.00 0.00 O ATOM 1100 CB VAL A 70 1.041 6.860 4.311 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.626 7.169 2.869 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.511 8.154 4.999 1.00 0.00 C ATOM 0 H VAL A 70 -0.506 7.875 6.114 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.622 5.513 4.345 1.00 0.00 H new ATOM 0 HB VAL A 70 1.884 6.169 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.442 7.678 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.395 6.239 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.255 7.810 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.309 8.609 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.675 8.850 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.882 7.921 5.997 1.00 0.00 H new ATOM 1112 N PRO A 71 1.016 4.067 5.916 1.00 0.00 N ATOM 1113 CA PRO A 71 1.183 3.406 4.615 1.00 0.00 C ATOM 1114 C PRO A 71 -0.162 3.003 4.013 1.00 0.00 C ATOM 1115 O PRO A 71 -0.937 2.300 4.659 1.00 0.00 O ATOM 1116 CB PRO A 71 2.031 2.162 4.898 1.00 0.00 C ATOM 1117 CG PRO A 71 1.775 1.879 6.376 1.00 0.00 C ATOM 1118 CD PRO A 71 1.580 3.257 6.974 1.00 0.00 C ATOM 0 HA PRO A 71 1.653 4.074 3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.731 1.322 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.088 2.344 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.894 1.252 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.615 1.358 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.913 3.219 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.527 3.671 7.321 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.448 3.441 2.783 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.746 3.212 2.153 1.00 0.00 C ATOM 1128 C ARG A 72 -1.627 1.970 1.283 1.00 0.00 C ATOM 1129 O ARG A 72 -1.164 2.068 0.145 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.220 4.475 1.394 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.755 4.558 1.341 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.289 5.063 2.686 1.00 0.00 C ATOM 1133 NE ARG A 72 -5.740 4.900 2.849 1.00 0.00 N ATOM 1134 CZ ARG A 72 -6.359 4.847 4.033 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -5.681 5.088 5.154 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -7.653 4.541 4.102 1.00 0.00 N ATOM 0 H ARG A 72 0.210 3.960 2.202 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.523 3.028 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.823 5.365 1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.820 4.463 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.066 5.229 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.175 3.577 1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.781 4.531 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.037 6.118 2.793 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.310 4.822 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.687 5.314 5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.156 5.047 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.177 4.346 3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.120 4.502 5.008 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.931 0.801 1.847 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.840 -0.468 1.135 1.00 0.00 C ATOM 1152 C VAL A 73 -3.017 -0.567 0.159 1.00 0.00 C ATOM 1153 O VAL A 73 -4.185 -0.497 0.548 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.781 -1.650 2.123 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.906 -2.997 1.389 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.483 -1.666 2.937 1.00 0.00 C ATOM 0 H VAL A 73 -2.248 0.710 2.812 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.915 -0.514 0.560 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.623 -1.512 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.861 -3.811 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.857 -3.035 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.088 -3.100 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.491 -2.517 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.369 -1.749 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.402 -0.743 3.511 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.684 -0.792 -1.106 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.553 -0.859 -2.260 1.00 0.00 C ATOM 1168 C PHE A 74 -3.371 -2.243 -2.890 1.00 0.00 C ATOM 1169 O PHE A 74 -2.456 -2.480 -3.683 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.199 0.298 -3.210 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.318 1.292 -3.412 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.476 0.899 -4.101 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -4.190 2.614 -2.950 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -6.498 1.829 -4.342 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.193 3.555 -3.232 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.348 3.157 -3.926 1.00 0.00 C ATOM 0 H PHE A 74 -1.710 -0.945 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.606 -0.742 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.327 0.822 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.914 -0.115 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.580 -0.119 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.321 2.905 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.401 1.520 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.077 4.581 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.123 3.878 -4.139 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.231 -3.183 -2.509 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.261 -4.539 -3.025 1.00 0.00 C ATOM 1188 C ILE A 75 -5.268 -4.539 -4.189 1.00 0.00 C ATOM 1189 O ILE A 75 -6.463 -4.335 -3.990 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.508 -5.536 -1.851 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.199 -6.236 -1.400 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.489 -6.665 -2.195 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.431 -5.649 -0.232 1.00 0.00 C ATOM 0 H ILE A 75 -4.950 -3.010 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.318 -4.891 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.924 -4.908 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.444 -7.268 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.527 -6.266 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.610 -7.318 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.455 -6.238 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.100 -7.242 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.543 -6.251 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.133 -4.628 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.064 -5.645 0.655 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.780 -4.731 -5.418 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.603 -4.957 -6.605 1.00 0.00 C ATOM 1207 C GLY A 76 -6.570 -3.812 -6.900 1.00 0.00 C ATOM 1208 O GLY A 76 -7.787 -3.997 -6.890 1.00 0.00 O ATOM 0 H GLY A 76 -3.780 -4.733 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.952 -5.104 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.171 -5.878 -6.474 1.00 0.00 H new ATOM 1212 N LYS A 77 -6.024 -2.628 -7.192 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.700 -1.342 -7.341 1.00 0.00 C ATOM 1214 C LYS A 77 -7.713 -0.992 -6.244 1.00 0.00 C ATOM 1215 O LYS A 77 -8.455 -0.026 -6.430 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.257 -1.153 -8.769 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.902 0.265 -9.254 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.791 0.789 -10.393 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.376 2.204 -10.838 1.00 0.00 C ATOM 1220 NZ LYS A 77 -7.940 3.294 -10.007 1.00 0.00 N ATOM 0 H LYS A 77 -5.019 -2.540 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.917 -0.599 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.834 -1.899 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.338 -1.295 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.971 0.952 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.864 0.272 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.732 0.109 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.831 0.801 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.288 2.274 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.687 2.353 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.427 4.178 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.946 3.420 -10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.843 3.049 -9.001 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.716 -1.670 -5.097 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.569 -1.335 -3.966 1.00 0.00 C ATOM 1236 C ASP A 78 -7.721 -1.182 -2.702 1.00 0.00 C ATOM 1237 O ASP A 78 -6.705 -1.856 -2.531 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.647 -2.402 -3.800 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.477 -2.057 -2.578 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -11.232 -1.063 -2.641 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -10.279 -2.698 -1.526 1.00 0.00 O ATOM 0 H ASP A 78 -7.116 -2.478 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.067 -0.383 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.278 -2.445 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.192 -3.386 -3.684 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.096 -0.252 -1.829 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.380 0.043 -0.598 1.00 0.00 C ATOM 1248 C CYS A 79 -7.843 -0.873 0.535 1.00 0.00 C ATOM 1249 O CYS A 79 -9.050 -1.021 0.735 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.596 1.529 -0.294 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.450 2.088 0.981 1.00 0.00 S ATOM 0 H CYS A 79 -8.924 0.328 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.312 -0.149 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.454 2.116 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.622 1.693 0.034 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.445 1.266 1.052 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.925 -1.446 1.327 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.306 -2.136 2.548 1.00 0.00 C ATOM 1259 C ILE A 80 -7.463 -1.142 3.700 1.00 0.00 C ATOM 1260 O ILE A 80 -8.135 -1.447 4.679 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.352 -3.307 2.826 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.919 -2.908 3.187 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.330 -4.284 1.637 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.767 -2.527 4.658 1.00 0.00 C ATOM 0 H ILE A 80 -5.923 -1.441 1.138 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.289 -2.592 2.430 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.760 -3.788 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.247 -3.735 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.612 -2.067 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.648 -5.106 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.333 -4.678 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.994 -3.760 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.731 -2.253 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.416 -1.681 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.045 -3.375 5.284 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.901 0.060 3.577 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.857 1.046 4.637 1.00 0.00 C ATOM 1278 C GLY A 81 -5.421 1.512 4.814 1.00 0.00 C ATOM 1279 O GLY A 81 -4.685 1.700 3.841 1.00 0.00 O ATOM 0 H GLY A 81 -6.456 0.375 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.501 1.891 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.232 0.618 5.567 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.043 1.716 6.069 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.718 2.114 6.504 1.00 0.00 C ATOM 1285 C GLY A 82 -3.082 0.958 7.263 1.00 0.00 C ATOM 1286 O GLY A 82 -3.459 -0.204 7.075 1.00 0.00 O ATOM 0 H GLY A 82 -5.690 1.601 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.104 2.384 5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.779 2.996 7.142 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.090 1.246 8.111 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.410 0.172 8.808 1.00 0.00 C ATOM 1292 C CYS A 83 -2.252 -0.431 9.927 1.00 0.00 C ATOM 1293 O CYS A 83 -1.966 -1.559 10.315 1.00 0.00 O ATOM 1294 CB CYS A 83 -0.046 0.592 9.358 1.00 0.00 C ATOM 1295 SG CYS A 83 1.036 -0.867 9.257 1.00 0.00 S ATOM 0 H CYS A 83 -1.754 2.186 8.321 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.250 -0.595 8.050 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.366 1.419 8.779 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -0.134 0.937 10.388 1.00 0.00 H new ATOM 0 HG CYS A 83 2.216 -0.565 9.712 1.00 0.00 H new ATOM 1301 N SER A 84 -3.246 0.277 10.465 1.00 0.00 N ATOM 1302 CA SER A 84 -4.044 -0.261 11.556 1.00 0.00 C ATOM 1303 C SER A 84 -4.835 -1.472 11.060 1.00 0.00 C ATOM 1304 O SER A 84 -4.838 -2.521 11.709 1.00 0.00 O ATOM 1305 CB SER A 84 -4.996 0.810 12.105 1.00 0.00 C ATOM 1306 OG SER A 84 -4.287 1.947 12.558 1.00 0.00 O ATOM 0 H SER A 84 -3.512 1.214 10.164 1.00 0.00 H new ATOM 0 HA SER A 84 -3.380 -0.572 12.363 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.701 1.105 11.328 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.581 0.393 12.925 1.00 0.00 H new ATOM 0 HG SER A 84 -4.920 2.612 12.900 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.439 -1.320 9.880 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.088 -2.367 9.107 1.00 0.00 C ATOM 1314 C ASP A 85 -5.042 -3.433 8.832 1.00 0.00 C ATOM 1315 O ASP A 85 -5.207 -4.576 9.249 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.678 -1.790 7.803 1.00 0.00 C ATOM 1317 CG ASP A 85 -8.079 -1.225 8.018 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.190 -0.156 8.676 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -9.068 -1.862 7.596 1.00 0.00 O ATOM 0 H ASP A 85 -5.488 -0.412 9.418 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.923 -2.802 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.024 -1.005 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.713 -2.571 7.043 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.931 -3.053 8.189 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.890 -3.976 7.749 1.00 0.00 C ATOM 1326 C LEU A 86 -2.388 -4.899 8.859 1.00 0.00 C ATOM 1327 O LEU A 86 -2.128 -6.071 8.591 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.705 -3.187 7.189 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.656 -4.064 6.489 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.225 -4.733 5.230 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.554 -3.174 6.188 1.00 0.00 C ATOM 0 H LEU A 86 -3.732 -2.080 7.959 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.341 -4.606 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.075 -2.445 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.226 -2.642 8.002 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.352 -4.888 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.453 -5.345 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.071 -5.363 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.555 -3.967 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.324 -3.763 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.249 -2.352 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.952 -2.773 7.120 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.221 -4.391 10.082 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.828 -5.170 11.225 1.00 0.00 C ATOM 1345 C VAL A 87 -2.881 -6.251 11.456 1.00 0.00 C ATOM 1346 O VAL A 87 -2.489 -7.408 11.535 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.617 -4.209 12.409 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.587 -4.945 13.743 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.303 -3.423 12.264 1.00 0.00 C ATOM 0 H VAL A 87 -2.362 -3.403 10.294 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.883 -5.694 11.081 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.464 -3.524 12.395 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.436 -4.229 14.551 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.533 -5.466 13.892 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.771 -5.667 13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.184 -2.753 13.116 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.535 -4.119 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.328 -2.839 11.344 1.00 0.00 H new ATOM 1359 N SER A 88 -4.181 -5.940 11.516 1.00 0.00 N ATOM 1360 CA SER A 88 -5.195 -6.974 11.712 1.00 0.00 C ATOM 1361 C SER A 88 -5.180 -7.956 10.547 1.00 0.00 C ATOM 1362 O SER A 88 -5.235 -9.161 10.790 1.00 0.00 O ATOM 1363 CB SER A 88 -6.600 -6.386 11.853 1.00 0.00 C ATOM 1364 OG SER A 88 -7.066 -6.622 13.169 1.00 0.00 O ATOM 0 H SER A 88 -4.549 -4.992 11.433 1.00 0.00 H new ATOM 0 HA SER A 88 -4.948 -7.489 12.640 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.583 -5.316 11.645 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.274 -6.841 11.127 1.00 0.00 H new ATOM 0 HG SER A 88 -7.966 -6.247 13.270 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.076 -7.483 9.297 1.00 0.00 N ATOM 1371 CA LEU A 89 -4.930 -8.376 8.163 1.00 0.00 C ATOM 1372 C LEU A 89 -3.776 -9.350 8.423 1.00 0.00 C ATOM 1373 O LEU A 89 -3.949 -10.548 8.216 1.00 0.00 O ATOM 1374 CB LEU A 89 -4.759 -7.609 6.836 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.059 -7.074 6.205 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -6.490 -5.725 6.758 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -5.895 -6.935 4.683 1.00 0.00 C ATOM 0 H LEU A 89 -5.091 -6.492 9.057 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.850 -8.951 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.086 -6.769 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.271 -8.267 6.117 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.830 -7.803 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.412 -5.409 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.659 -5.809 7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.709 -4.988 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.821 -6.556 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.083 -6.241 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.665 -7.909 4.251 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.611 -8.883 8.869 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.464 -9.745 9.121 1.00 0.00 C ATOM 1391 C GLN A 90 -1.743 -10.694 10.297 1.00 0.00 C ATOM 1392 O GLN A 90 -1.548 -11.906 10.164 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.213 -8.875 9.331 1.00 0.00 C ATOM 1394 CG GLN A 90 1.080 -9.700 9.452 1.00 0.00 C ATOM 1395 CD GLN A 90 1.652 -9.716 10.869 1.00 0.00 C ATOM 1396 OE1 GLN A 90 0.964 -10.050 11.829 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.923 -9.394 11.023 1.00 0.00 N ATOM 0 H GLN A 90 -2.439 -7.897 9.065 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.280 -10.384 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.117 -8.179 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.341 -8.276 10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.881 -10.724 9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.827 -9.295 8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.481 -9.119 10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.347 -9.421 11.950 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.163 -10.168 11.449 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.296 -10.874 12.709 1.00 0.00 C ATOM 1408 C GLN A 91 -3.447 -11.872 12.664 1.00 0.00 C ATOM 1409 O GLN A 91 -3.235 -13.064 12.884 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.493 -9.834 13.827 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.459 -9.957 14.940 1.00 0.00 C ATOM 1412 CD GLN A 91 -1.950 -10.812 16.106 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -2.530 -10.302 17.061 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -1.745 -12.117 16.093 1.00 0.00 N ATOM 0 H GLN A 91 -2.432 -9.187 11.524 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.393 -11.453 12.905 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.441 -8.833 13.399 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.491 -9.948 14.251 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.545 -10.392 14.535 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.204 -8.962 15.306 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.264 -12.550 15.304 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.067 -12.692 16.872 1.00 0.00 H new ATOM 1423 N SER A 92 -4.655 -11.371 12.398 1.00 0.00 N ATOM 1424 CA SER A 92 -5.894 -12.124 12.386 1.00 0.00 C ATOM 1425 C SER A 92 -6.027 -12.893 11.058 1.00 0.00 C ATOM 1426 O SER A 92 -6.872 -13.777 10.960 1.00 0.00 O ATOM 1427 CB SER A 92 -7.046 -11.122 12.578 1.00 0.00 C ATOM 1428 OG SER A 92 -7.546 -11.172 13.902 1.00 0.00 O ATOM 0 H SER A 92 -4.794 -10.385 12.176 1.00 0.00 H new ATOM 0 HA SER A 92 -5.916 -12.862 13.188 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.697 -10.114 12.355 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.848 -11.345 11.874 1.00 0.00 H new ATOM 0 HG SER A 92 -8.276 -10.526 14.001 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.184 -12.606 10.058 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.938 -13.485 8.925 1.00 0.00 C ATOM 1436 C GLY A 93 -5.646 -13.074 7.638 1.00 0.00 C ATOM 1437 O GLY A 93 -5.419 -13.726 6.617 1.00 0.00 O ATOM 0 H GLY A 93 -4.648 -11.739 10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.865 -13.523 8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.251 -14.495 9.190 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.460 -12.006 7.636 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.182 -11.600 6.431 1.00 0.00 C ATOM 1443 C GLU A 94 -6.215 -11.282 5.276 1.00 0.00 C ATOM 1444 O GLU A 94 -6.569 -11.528 4.125 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.152 -10.449 6.757 1.00 0.00 C ATOM 1446 CG GLU A 94 -8.819 -9.837 5.510 1.00 0.00 C ATOM 1447 CD GLU A 94 -9.830 -8.731 5.825 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -9.807 -8.154 6.937 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -10.639 -8.408 4.927 1.00 0.00 O ATOM 0 H GLU A 94 -6.630 -11.416 8.450 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.789 -12.434 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.926 -10.816 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.610 -9.668 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.045 -9.433 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.323 -10.628 4.955 1.00 0.00 H new ATOM 1456 N LEU A 95 -4.984 -10.830 5.566 1.00 0.00 N ATOM 1457 CA LEU A 95 -3.908 -10.563 4.607 1.00 0.00 C ATOM 1458 C LEU A 95 -3.808 -11.687 3.594 1.00 0.00 C ATOM 1459 O LEU A 95 -3.889 -11.417 2.402 1.00 0.00 O ATOM 1460 CB LEU A 95 -2.569 -10.368 5.350 1.00 0.00 C ATOM 1461 CG LEU A 95 -1.379 -9.844 4.524 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -0.339 -9.290 5.508 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -0.707 -10.910 3.651 1.00 0.00 C ATOM 0 H LEU A 95 -4.701 -10.632 6.526 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.138 -9.644 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.738 -9.677 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.282 -11.324 5.788 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.764 -9.086 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.519 -8.910 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.783 -8.482 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.014 -10.085 6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.121 -10.461 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.330 -11.713 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.434 -11.314 2.946 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.596 -12.930 4.030 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.253 -13.991 3.091 1.00 0.00 C ATOM 1477 C LEU A 96 -4.393 -14.180 2.097 1.00 0.00 C ATOM 1478 O LEU A 96 -4.132 -14.277 0.899 1.00 0.00 O ATOM 1479 CB LEU A 96 -2.906 -15.311 3.808 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.564 -15.382 4.573 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.348 -15.056 3.695 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.530 -14.504 5.828 1.00 0.00 C ATOM 0 H LEU A 96 -3.655 -13.220 5.006 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.355 -13.692 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.707 -15.529 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.911 -16.108 3.064 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.497 -16.425 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.561 -15.124 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.294 -15.767 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.446 -14.046 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.560 -14.603 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.692 -13.463 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.315 -14.821 6.515 1.00 0.00 H new ATOM 1494 N THR A 97 -5.640 -14.153 2.565 1.00 0.00 N ATOM 1495 CA THR A 97 -6.821 -14.189 1.720 1.00 0.00 C ATOM 1496 C THR A 97 -6.848 -12.970 0.788 1.00 0.00 C ATOM 1497 O THR A 97 -6.928 -13.151 -0.426 1.00 0.00 O ATOM 1498 CB THR A 97 -8.071 -14.272 2.615 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.880 -15.279 3.591 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.329 -14.610 1.810 1.00 0.00 C ATOM 0 H THR A 97 -5.856 -14.105 3.561 1.00 0.00 H new ATOM 0 HA THR A 97 -6.802 -15.071 1.080 1.00 0.00 H new ATOM 0 HB THR A 97 -8.210 -13.296 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.673 -15.334 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.187 -14.659 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.498 -13.839 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.198 -15.574 1.318 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.754 -11.743 1.317 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.826 -10.499 0.544 1.00 0.00 C ATOM 1510 C ARG A 98 -5.773 -10.477 -0.554 1.00 0.00 C ATOM 1511 O ARG A 98 -6.057 -10.047 -1.667 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.678 -9.272 1.476 1.00 0.00 C ATOM 1513 CG ARG A 98 -7.902 -8.348 1.437 1.00 0.00 C ATOM 1514 CD ARG A 98 -7.925 -7.443 0.197 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.242 -6.812 0.051 1.00 0.00 N ATOM 1516 CZ ARG A 98 -9.552 -5.614 -0.451 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -8.630 -4.814 -0.976 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -10.809 -5.200 -0.450 1.00 0.00 N ATOM 0 H ARG A 98 -6.623 -11.586 2.316 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.805 -10.451 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.519 -9.615 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.792 -8.707 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.809 -8.953 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.912 -7.728 2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.155 -6.677 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.694 -8.028 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.032 -7.367 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.654 -5.110 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.898 -3.904 -1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.542 -5.796 -0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.045 -4.285 -0.834 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.553 -10.927 -0.270 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.511 -11.008 -1.260 1.00 0.00 C ATOM 1534 C LEU A 99 -3.818 -12.115 -2.252 1.00 0.00 C ATOM 1535 O LEU A 99 -3.707 -11.891 -3.455 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.198 -11.244 -0.507 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.545 -9.974 0.055 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.920 -9.166 -1.083 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -2.387 -9.025 0.917 1.00 0.00 C ATOM 0 H LEU A 99 -4.271 -11.243 0.658 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.434 -10.090 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.385 -11.934 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.492 -11.733 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.820 -10.384 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.458 -8.265 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.163 -9.769 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.693 -8.887 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.775 -8.180 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.235 -8.662 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.750 -9.558 1.796 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.193 -13.319 -1.818 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.435 -14.368 -2.802 1.00 0.00 C ATOM 1553 C LYS A 100 -5.634 -14.070 -3.685 1.00 0.00 C ATOM 1554 O LYS A 100 -5.635 -14.540 -4.822 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.569 -15.750 -2.156 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.553 -16.717 -2.788 1.00 0.00 C ATOM 1557 CD LYS A 100 -4.172 -18.046 -3.244 1.00 0.00 C ATOM 1558 CE LYS A 100 -5.250 -17.917 -4.339 1.00 0.00 C ATOM 1559 NZ LYS A 100 -4.792 -17.150 -5.519 1.00 0.00 N ATOM 0 H LYS A 100 -4.330 -13.582 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.552 -14.384 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.398 -15.678 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.581 -16.130 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.085 -16.231 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.762 -16.923 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.376 -18.694 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.611 -18.542 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.556 -18.913 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.131 -17.432 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.244 -17.529 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.051 -16.149 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.759 -17.232 -5.607 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.595 -13.289 -3.198 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.727 -12.777 -3.954 1.00 0.00 C ATOM 1575 C GLN A 101 -7.254 -12.080 -5.234 1.00 0.00 C ATOM 1576 O GLN A 101 -7.937 -12.206 -6.250 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.571 -11.862 -3.046 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.908 -11.420 -3.654 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.881 -10.858 -2.612 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.504 -10.200 -1.648 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.172 -11.098 -2.782 1.00 0.00 N ATOM 0 H GLN A 101 -6.603 -12.985 -2.224 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.364 -13.600 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.767 -12.383 -2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.987 -10.975 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.722 -10.663 -4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.372 -12.269 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.488 -11.645 -3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.851 -10.736 -2.112 1.00 0.00 H new ATOM 1590 N ILE A 102 -6.081 -11.430 -5.228 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.547 -10.718 -6.396 1.00 0.00 C ATOM 1592 C ILE A 102 -4.445 -11.514 -7.125 1.00 0.00 C ATOM 1593 O ILE A 102 -3.763 -10.971 -7.997 1.00 0.00 O ATOM 1594 CB ILE A 102 -5.145 -9.277 -6.004 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.818 -9.168 -5.233 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -6.238 -8.628 -5.148 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.757 -8.377 -5.993 1.00 0.00 C ATOM 0 H ILE A 102 -5.474 -11.384 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.337 -10.629 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.014 -8.761 -6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.000 -8.691 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.440 -10.169 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.938 -7.615 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.170 -8.594 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.385 -9.213 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.843 -8.333 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.550 -8.867 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.119 -7.366 -6.177 1.00 0.00 H new ATOM 1609 N GLY A 103 -4.256 -12.798 -6.796 1.00 0.00 N ATOM 1610 CA GLY A 103 -3.287 -13.671 -7.457 1.00 0.00 C ATOM 1611 C GLY A 103 -1.858 -13.425 -6.972 1.00 0.00 C ATOM 1612 O GLY A 103 -0.915 -13.455 -7.766 1.00 0.00 O ATOM 0 H GLY A 103 -4.780 -13.262 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.556 -14.712 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.335 -13.513 -8.534 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.681 -13.158 -5.675 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.396 -12.890 -5.056 1.00 0.00 C ATOM 1618 C ALA A 104 0.378 -14.163 -4.772 1.00 0.00 C ATOM 1619 O ALA A 104 1.435 -14.343 -5.356 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.660 -12.193 -3.725 1.00 0.00 C ATOM 0 H ALA A 104 -2.457 -13.123 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 104 0.195 -12.279 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.288 -11.977 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.197 -11.261 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.260 -12.842 -3.087 1.00 0.00 H new ATOM 1626 N LEU A 105 -0.057 -14.984 -3.816 1.00 0.00 N ATOM 1627 CA LEU A 105 0.850 -15.929 -3.205 1.00 0.00 C ATOM 1628 C LEU A 105 1.251 -17.015 -4.197 1.00 0.00 C ATOM 1629 O LEU A 105 0.420 -17.530 -4.952 1.00 0.00 O ATOM 1630 CB LEU A 105 0.272 -16.537 -1.929 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.568 -15.644 -0.989 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -1.077 -16.483 0.188 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.194 -14.440 -0.430 1.00 0.00 C ATOM 0 H LEU A 105 -1.013 -15.008 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 105 1.746 -15.378 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.349 -17.384 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.104 -16.936 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.386 -15.253 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.670 -15.855 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.695 -17.299 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.229 -16.893 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.464 -13.863 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.055 -14.787 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.534 -13.811 -1.253 1.00 0.00 H new ATOM 1645 N GLN A 106 2.538 -17.319 -4.184 1.00 0.00 N ATOM 1646 CA GLN A 106 3.281 -18.217 -5.035 1.00 0.00 C ATOM 1647 C GLN A 106 4.489 -18.634 -4.216 1.00 0.00 C ATOM 1648 O GLN A 106 5.022 -17.773 -3.481 1.00 0.00 O ATOM 1649 CB GLN A 106 3.723 -17.458 -6.293 1.00 0.00 C ATOM 1650 CG GLN A 106 4.562 -18.350 -7.211 1.00 0.00 C ATOM 1651 CD GLN A 106 5.019 -17.632 -8.474 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.783 -16.674 -8.409 1.00 0.00 O ATOM 1653 NE2 GLN A 106 4.600 -18.063 -9.648 1.00 0.00 N ATOM 1654 OXT GLN A 106 4.939 -19.785 -4.377 1.00 0.00 O ATOM 0 H GLN A 106 3.153 -16.889 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 106 2.697 -19.081 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.846 -17.100 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.302 -16.580 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.435 -18.706 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.979 -19.228 -7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.965 -18.859 -9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.911 -17.600 -10.502 1.00 0.00 H new TER 1663 GLN A 106