USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 77 GLN : amide:sc= 1.01 X(o=2.3,f=1.9) USER MOD Set 1.2: A 88 ASN : amide:sc= 1.31 X(o=2.3,f=1.9) USER MOD Set 2.1: A 46 MET CE :methyl -123:sc= -0.77 (180deg=-7.23!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 33 GLN : amide:sc= 1.03 K(o=2.3,f=-4.5) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0) USER MOD Single : A 28 MET CE :methyl 171:sc= 0 (180deg=-0.0237) USER MOD Single : A 30 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.109 K(o=0.11,f=-3.5!) USER MOD Single : A 36 ASN : amide:sc= 0.02 X(o=0.02,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.019) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.0857 USER MOD Single : A 50 THR OG1 : rot 77:sc= -0.408 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= 1.26 (180deg=1.15) USER MOD Single : A 59 SER OG : rot -40:sc= 1.06 USER MOD Single : A 72 SER OG : rot 71:sc= 1.23 USER MOD Single : A 74 CYS SG : rot -69:sc= 0.218 USER MOD Single : A 86 HIS : no HE2:sc= 0.759 K(o=0.76,f=-3!) USER MOD Single : A 91 MET CE :methyl -138:sc= -0.0015 (180deg=-1.28) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.42) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.4!) USER MOD Single : A 119 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.18) USER MOD Single : A 120 MET CE :methyl -150:sc= -0.155 (180deg=-1.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 7.634 19.411 6.035 1.00 0.00 N ATOM 2 CA GLY A 26 8.553 18.996 4.931 1.00 0.00 C ATOM 3 C GLY A 26 8.306 17.567 4.476 1.00 0.00 C ATOM 4 O GLY A 26 8.953 17.072 3.548 1.00 0.00 O ATOM 0 HA2 GLY A 26 8.427 19.671 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.586 19.094 5.266 1.00 0.00 H new ATOM 7 N ALA A 27 7.358 16.910 5.132 1.00 0.00 N ATOM 8 CA ALA A 27 7.008 15.529 4.810 1.00 0.00 C ATOM 9 C ALA A 27 6.029 15.456 3.636 1.00 0.00 C ATOM 10 O ALA A 27 4.854 15.119 3.804 1.00 0.00 O ATOM 11 CB ALA A 27 6.428 14.835 6.036 1.00 0.00 C ATOM 0 H ALA A 27 6.814 17.313 5.895 1.00 0.00 H new ATOM 0 HA ALA A 27 7.919 15.013 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.171 13.806 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.165 14.839 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.532 15.363 6.363 1.00 0.00 H new ATOM 17 N MET A 28 6.523 15.764 2.439 1.00 0.00 N ATOM 18 CA MET A 28 5.696 15.737 1.233 1.00 0.00 C ATOM 19 C MET A 28 5.572 14.316 0.673 1.00 0.00 C ATOM 20 O MET A 28 6.031 14.027 -0.433 1.00 0.00 O ATOM 21 CB MET A 28 6.285 16.670 0.171 1.00 0.00 C ATOM 22 CG MET A 28 5.635 18.044 0.141 1.00 0.00 C ATOM 23 SD MET A 28 6.805 19.358 -0.256 1.00 0.00 S ATOM 24 CE MET A 28 7.055 20.090 1.360 1.00 0.00 C ATOM 0 H MET A 28 7.493 16.036 2.277 1.00 0.00 H new ATOM 0 HA MET A 28 4.697 16.081 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.353 16.786 0.354 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.178 16.205 -0.809 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.830 18.045 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.181 18.248 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.871 20.811 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.143 20.596 1.675 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.304 19.309 2.079 1.00 0.00 H new ATOM 34 N GLY A 29 4.947 13.434 1.448 1.00 0.00 N ATOM 35 CA GLY A 29 4.769 12.056 1.019 1.00 0.00 C ATOM 36 C GLY A 29 5.864 11.134 1.530 1.00 0.00 C ATOM 37 O GLY A 29 6.650 11.508 2.403 1.00 0.00 O ATOM 0 H GLY A 29 4.560 13.649 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.802 11.693 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.748 12.019 -0.070 1.00 0.00 H new ATOM 41 N GLN A 30 5.902 9.919 0.999 1.00 0.00 N ATOM 42 CA GLN A 30 6.908 8.937 1.398 1.00 0.00 C ATOM 43 C GLN A 30 7.399 8.125 0.197 1.00 0.00 C ATOM 44 O GLN A 30 6.604 7.562 -0.556 1.00 0.00 O ATOM 45 CB GLN A 30 6.340 7.999 2.466 1.00 0.00 C ATOM 46 CG GLN A 30 7.038 8.112 3.814 1.00 0.00 C ATOM 47 CD GLN A 30 6.162 8.748 4.878 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.660 8.073 5.772 1.00 0.00 O ATOM 49 NE2 GLN A 30 5.969 10.054 4.787 1.00 0.00 N ATOM 0 H GLN A 30 5.248 9.587 0.290 1.00 0.00 H new ATOM 0 HA GLN A 30 7.758 9.479 1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.279 8.212 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.417 6.971 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.341 7.119 4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.948 8.701 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.403 10.582 4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.386 10.533 5.474 1.00 0.00 H new ATOM 58 N LYS A 31 8.714 8.072 0.027 1.00 0.00 N ATOM 59 CA LYS A 31 9.314 7.328 -1.076 1.00 0.00 C ATOM 60 C LYS A 31 9.607 5.887 -0.662 1.00 0.00 C ATOM 61 O LYS A 31 10.259 5.646 0.355 1.00 0.00 O ATOM 62 CB LYS A 31 10.604 8.013 -1.535 1.00 0.00 C ATOM 63 CG LYS A 31 10.823 7.956 -3.037 1.00 0.00 C ATOM 64 CD LYS A 31 12.144 8.596 -3.432 1.00 0.00 C ATOM 65 CE LYS A 31 11.929 9.922 -4.143 1.00 0.00 C ATOM 66 NZ LYS A 31 13.210 10.650 -4.363 1.00 0.00 N ATOM 0 H LYS A 31 9.387 8.535 0.638 1.00 0.00 H new ATOM 0 HA LYS A 31 8.605 7.312 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.584 9.056 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.452 7.545 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.807 6.918 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.004 8.466 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.754 8.754 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.698 7.919 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.443 9.745 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.255 10.544 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.019 11.549 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.662 10.842 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.844 10.068 -4.946 1.00 0.00 H new ATOM 80 N ALA A 32 9.112 4.936 -1.446 1.00 0.00 N ATOM 81 CA ALA A 32 9.330 3.520 -1.160 1.00 0.00 C ATOM 82 C ALA A 32 10.782 3.122 -1.421 1.00 0.00 C ATOM 83 O ALA A 32 11.456 3.711 -2.269 1.00 0.00 O ATOM 84 CB ALA A 32 8.385 2.665 -1.987 1.00 0.00 C ATOM 0 H ALA A 32 8.558 5.118 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 32 9.122 3.351 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.558 1.612 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.354 2.923 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.564 2.846 -3.047 1.00 0.00 H new ATOM 90 N GLN A 33 11.255 2.111 -0.702 1.00 0.00 N ATOM 91 CA GLN A 33 12.632 1.651 -0.849 1.00 0.00 C ATOM 92 C GLN A 33 12.784 0.704 -2.042 1.00 0.00 C ATOM 93 O GLN A 33 11.919 -0.134 -2.306 1.00 0.00 O ATOM 94 CB GLN A 33 13.109 0.968 0.437 1.00 0.00 C ATOM 95 CG GLN A 33 12.420 -0.356 0.730 1.00 0.00 C ATOM 96 CD GLN A 33 12.572 -0.792 2.174 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.527 -1.476 2.535 1.00 0.00 O ATOM 98 NE2 GLN A 33 11.626 -0.402 3.012 1.00 0.00 N ATOM 0 H GLN A 33 10.708 1.595 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 33 13.254 2.526 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.184 0.799 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.946 1.644 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.360 -0.269 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.831 -1.126 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.848 0.165 2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.674 -0.669 3.995 1.00 0.00 H new ATOM 107 N GLN A 34 13.888 0.855 -2.766 1.00 0.00 N ATOM 108 CA GLN A 34 14.167 0.012 -3.923 1.00 0.00 C ATOM 109 C GLN A 34 15.065 -1.160 -3.527 1.00 0.00 C ATOM 110 O GLN A 34 16.227 -0.971 -3.162 1.00 0.00 O ATOM 111 CB GLN A 34 14.834 0.829 -5.036 1.00 0.00 C ATOM 112 CG GLN A 34 14.149 2.158 -5.316 1.00 0.00 C ATOM 113 CD GLN A 34 14.933 3.344 -4.781 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.298 3.386 -3.610 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.196 4.316 -5.640 1.00 0.00 N ATOM 0 H GLN A 34 14.605 1.554 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 34 13.220 -0.380 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.873 1.016 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.846 0.237 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.013 2.273 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.156 2.152 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.875 4.244 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.719 5.137 -5.336 1.00 0.00 H new ATOM 124 N LYS A 35 14.518 -2.367 -3.593 1.00 0.00 N ATOM 125 CA LYS A 35 15.262 -3.573 -3.237 1.00 0.00 C ATOM 126 C LYS A 35 15.926 -4.208 -4.468 1.00 0.00 C ATOM 127 O LYS A 35 16.300 -3.514 -5.415 1.00 0.00 O ATOM 128 CB LYS A 35 14.329 -4.581 -2.556 1.00 0.00 C ATOM 129 CG LYS A 35 13.484 -3.980 -1.442 1.00 0.00 C ATOM 130 CD LYS A 35 14.215 -4.007 -0.108 1.00 0.00 C ATOM 131 CE LYS A 35 13.359 -4.625 0.986 1.00 0.00 C ATOM 132 NZ LYS A 35 13.772 -4.164 2.341 1.00 0.00 N ATOM 0 H LYS A 35 13.558 -2.539 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 35 16.054 -3.290 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.668 -5.015 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.926 -5.396 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.225 -2.952 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.548 -4.532 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.140 -4.574 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.493 -2.992 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.313 -4.367 0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.432 -5.711 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.421 -4.832 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.810 -4.117 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.374 -3.221 2.523 1.00 0.00 H new ATOM 146 N ASN A 36 16.060 -5.533 -4.455 1.00 0.00 N ATOM 147 CA ASN A 36 16.694 -6.256 -5.559 1.00 0.00 C ATOM 148 C ASN A 36 15.731 -6.499 -6.729 1.00 0.00 C ATOM 149 O ASN A 36 15.284 -7.624 -6.956 1.00 0.00 O ATOM 150 CB ASN A 36 17.247 -7.594 -5.055 1.00 0.00 C ATOM 151 CG ASN A 36 18.437 -8.072 -5.864 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.586 -7.846 -5.495 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.169 -8.740 -6.974 1.00 0.00 N ATOM 0 H ASN A 36 15.738 -6.129 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 36 17.507 -5.632 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.540 -7.492 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.460 -8.347 -5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.931 -9.087 -7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.201 -8.908 -7.247 1.00 0.00 H new ATOM 160 N GLY A 37 15.418 -5.440 -7.472 1.00 0.00 N ATOM 161 CA GLY A 37 14.529 -5.568 -8.620 1.00 0.00 C ATOM 162 C GLY A 37 13.074 -5.248 -8.310 1.00 0.00 C ATOM 163 O GLY A 37 12.239 -5.218 -9.212 1.00 0.00 O ATOM 0 H GLY A 37 15.763 -4.495 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.876 -4.905 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.593 -6.586 -9.006 1.00 0.00 H new ATOM 167 N TYR A 38 12.769 -5.012 -7.039 1.00 0.00 N ATOM 168 CA TYR A 38 11.403 -4.697 -6.622 1.00 0.00 C ATOM 169 C TYR A 38 11.403 -3.626 -5.533 1.00 0.00 C ATOM 170 O TYR A 38 12.416 -3.402 -4.877 1.00 0.00 O ATOM 171 CB TYR A 38 10.684 -5.964 -6.131 1.00 0.00 C ATOM 172 CG TYR A 38 11.256 -6.563 -4.861 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.392 -7.363 -4.895 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.651 -6.336 -3.631 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.909 -7.916 -3.739 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.163 -6.887 -2.471 1.00 0.00 C ATOM 177 CZ TYR A 38 12.292 -7.675 -2.529 1.00 0.00 C ATOM 178 OH TYR A 38 12.803 -8.225 -1.376 1.00 0.00 O ATOM 0 H TYR A 38 13.448 -5.032 -6.278 1.00 0.00 H new ATOM 0 HA TYR A 38 10.864 -4.306 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.633 -5.728 -5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.721 -6.715 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.878 -7.555 -5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.766 -5.719 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.793 -8.535 -3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.680 -6.701 -1.523 1.00 0.00 H new ATOM 0 HH TYR A 38 12.251 -7.956 -0.613 1.00 0.00 H new ATOM 188 N GLN A 39 10.269 -2.961 -5.342 1.00 0.00 N ATOM 189 CA GLN A 39 10.171 -1.916 -4.321 1.00 0.00 C ATOM 190 C GLN A 39 9.305 -2.366 -3.146 1.00 0.00 C ATOM 191 O GLN A 39 8.445 -3.237 -3.284 1.00 0.00 O ATOM 192 CB GLN A 39 9.612 -0.615 -4.903 1.00 0.00 C ATOM 193 CG GLN A 39 9.849 -0.445 -6.397 1.00 0.00 C ATOM 194 CD GLN A 39 10.636 0.810 -6.726 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.600 0.770 -7.485 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.231 1.934 -6.158 1.00 0.00 N ATOM 0 H GLN A 39 9.412 -3.121 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 39 11.183 -1.731 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.540 -0.575 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.062 0.227 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.385 -1.315 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.889 -0.412 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.425 1.928 -5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.724 2.807 -6.346 1.00 0.00 H new ATOM 205 N GLU A 40 9.532 -1.749 -1.991 1.00 0.00 N ATOM 206 CA GLU A 40 8.788 -2.084 -0.778 1.00 0.00 C ATOM 207 C GLU A 40 8.564 -0.850 0.100 1.00 0.00 C ATOM 208 O GLU A 40 9.429 0.017 0.209 1.00 0.00 O ATOM 209 CB GLU A 40 9.546 -3.157 0.012 1.00 0.00 C ATOM 210 CG GLU A 40 8.731 -3.809 1.118 1.00 0.00 C ATOM 211 CD GLU A 40 9.582 -4.219 2.307 1.00 0.00 C ATOM 212 OE1 GLU A 40 9.848 -3.355 3.171 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.982 -5.404 2.375 1.00 0.00 O ATOM 0 H GLU A 40 10.227 -1.012 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 40 7.811 -2.466 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.884 -3.930 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.438 -2.708 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.958 -3.116 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.222 -4.687 0.720 1.00 0.00 H new ATOM 220 N ILE A 41 7.393 -0.775 0.719 1.00 0.00 N ATOM 221 CA ILE A 41 7.060 0.348 1.597 1.00 0.00 C ATOM 222 C ILE A 41 6.228 -0.115 2.797 1.00 0.00 C ATOM 223 O ILE A 41 5.231 -0.822 2.641 1.00 0.00 O ATOM 224 CB ILE A 41 6.311 1.474 0.838 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.731 2.499 1.817 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.204 0.899 -0.033 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.370 3.870 1.724 1.00 0.00 C ATOM 0 H ILE A 41 6.657 -1.475 0.632 1.00 0.00 H new ATOM 0 HA ILE A 41 8.005 0.754 1.959 1.00 0.00 H new ATOM 0 HB ILE A 41 7.032 1.977 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.661 2.595 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.849 2.123 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.694 1.709 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.634 0.212 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.490 0.364 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.905 4.538 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.436 3.790 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.230 4.270 0.720 1.00 0.00 H new ATOM 239 N ARG A 42 6.656 0.278 3.994 1.00 0.00 N ATOM 240 CA ARG A 42 5.952 -0.085 5.220 1.00 0.00 C ATOM 241 C ARG A 42 4.898 0.965 5.579 1.00 0.00 C ATOM 242 O ARG A 42 5.223 2.063 6.032 1.00 0.00 O ATOM 243 CB ARG A 42 6.943 -0.252 6.374 1.00 0.00 C ATOM 244 CG ARG A 42 6.745 -1.534 7.168 1.00 0.00 C ATOM 245 CD ARG A 42 8.065 -2.067 7.704 1.00 0.00 C ATOM 246 NE ARG A 42 7.927 -3.413 8.256 1.00 0.00 N ATOM 247 CZ ARG A 42 8.949 -4.212 8.517 1.00 0.00 C ATOM 248 NH1 ARG A 42 10.179 -3.820 8.285 1.00 0.00 N ATOM 249 NH2 ARG A 42 8.741 -5.408 9.010 1.00 0.00 N ATOM 0 H ARG A 42 7.488 0.849 4.141 1.00 0.00 H new ATOM 0 HA ARG A 42 5.445 -1.034 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.957 -0.235 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.850 0.600 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.063 -1.348 7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.278 -2.287 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.804 -2.078 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.441 -1.395 8.476 1.00 0.00 H new ATOM 0 HE ARG A 42 6.987 -3.757 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.354 -2.892 7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.960 -4.443 8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.789 -5.725 9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.531 -6.022 9.210 1.00 0.00 H new ATOM 263 N VAL A 43 3.637 0.612 5.375 1.00 0.00 N ATOM 264 CA VAL A 43 2.524 1.508 5.669 1.00 0.00 C ATOM 265 C VAL A 43 1.920 1.185 7.035 1.00 0.00 C ATOM 266 O VAL A 43 1.191 0.204 7.196 1.00 0.00 O ATOM 267 CB VAL A 43 1.436 1.423 4.573 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.314 2.418 4.831 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.048 1.668 3.204 1.00 0.00 C ATOM 0 H VAL A 43 3.356 -0.296 5.004 1.00 0.00 H new ATOM 0 HA VAL A 43 2.912 2.526 5.688 1.00 0.00 H new ATOM 0 HB VAL A 43 1.011 0.420 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.435 2.334 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.147 2.204 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.720 3.430 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.271 1.605 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.501 2.659 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.811 0.915 3.007 1.00 0.00 H new ATOM 279 N GLU A 44 2.250 2.013 8.023 1.00 0.00 N ATOM 280 CA GLU A 44 1.747 1.831 9.382 1.00 0.00 C ATOM 281 C GLU A 44 0.265 2.194 9.470 1.00 0.00 C ATOM 282 O GLU A 44 -0.121 3.344 9.244 1.00 0.00 O ATOM 283 CB GLU A 44 2.561 2.677 10.364 1.00 0.00 C ATOM 284 CG GLU A 44 2.695 2.054 11.743 1.00 0.00 C ATOM 285 CD GLU A 44 4.010 1.322 11.932 1.00 0.00 C ATOM 286 OE1 GLU A 44 5.003 1.971 12.320 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.045 0.096 11.693 1.00 0.00 O ATOM 0 H GLU A 44 2.865 2.818 7.907 1.00 0.00 H new ATOM 0 HA GLU A 44 1.854 0.779 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.556 2.840 9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.092 3.656 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.607 2.834 12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.871 1.359 11.904 1.00 0.00 H new ATOM 294 N VAL A 45 -0.552 1.203 9.811 1.00 0.00 N ATOM 295 CA VAL A 45 -1.995 1.381 9.913 1.00 0.00 C ATOM 296 C VAL A 45 -2.438 1.553 11.371 1.00 0.00 C ATOM 297 O VAL A 45 -2.568 0.584 12.125 1.00 0.00 O ATOM 298 CB VAL A 45 -2.733 0.183 9.262 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.210 0.168 9.614 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.555 0.208 7.753 1.00 0.00 C ATOM 0 H VAL A 45 -0.234 0.258 10.024 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.257 2.293 9.376 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.289 -0.729 9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.689 -0.687 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.326 0.093 10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.677 1.088 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.079 -0.639 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.964 1.136 7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.494 0.145 7.511 1.00 0.00 H new ATOM 310 N MET A 46 -2.645 2.804 11.764 1.00 0.00 N ATOM 311 CA MET A 46 -3.084 3.131 13.122 1.00 0.00 C ATOM 312 C MET A 46 -4.094 4.278 13.089 1.00 0.00 C ATOM 313 O MET A 46 -3.738 5.447 13.232 1.00 0.00 O ATOM 314 CB MET A 46 -1.887 3.498 14.005 1.00 0.00 C ATOM 315 CG MET A 46 -0.892 4.423 13.324 1.00 0.00 C ATOM 316 SD MET A 46 0.306 5.130 14.473 1.00 0.00 S ATOM 317 CE MET A 46 1.417 3.747 14.715 1.00 0.00 C ATOM 0 H MET A 46 -2.516 3.616 11.160 1.00 0.00 H new ATOM 0 HA MET A 46 -3.566 2.252 13.549 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.250 3.975 14.915 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.374 2.585 14.306 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.362 3.871 12.548 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.433 5.229 12.829 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.474 3.507 15.777 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.045 2.881 14.167 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.410 4.009 14.349 1.00 0.00 H new ATOM 327 N GLY A 47 -5.361 3.937 12.888 1.00 0.00 N ATOM 328 CA GLY A 47 -6.399 4.951 12.795 1.00 0.00 C ATOM 329 C GLY A 47 -6.547 5.453 11.369 1.00 0.00 C ATOM 330 O GLY A 47 -7.528 6.106 11.018 1.00 0.00 O ATOM 0 H GLY A 47 -5.690 2.977 12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.347 4.538 13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.157 5.785 13.454 1.00 0.00 H new ATOM 334 N GLY A 48 -5.545 5.132 10.554 1.00 0.00 N ATOM 335 CA GLY A 48 -5.535 5.521 9.158 1.00 0.00 C ATOM 336 C GLY A 48 -4.248 5.096 8.475 1.00 0.00 C ATOM 337 O GLY A 48 -3.616 4.122 8.889 1.00 0.00 O ATOM 0 H GLY A 48 -4.726 4.599 10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.386 5.071 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.651 6.602 9.079 1.00 0.00 H new ATOM 341 N TYR A 49 -3.852 5.823 7.440 1.00 0.00 N ATOM 342 CA TYR A 49 -2.624 5.507 6.712 1.00 0.00 C ATOM 343 C TYR A 49 -1.517 6.498 7.071 1.00 0.00 C ATOM 344 O TYR A 49 -1.718 7.708 7.001 1.00 0.00 O ATOM 345 CB TYR A 49 -2.886 5.531 5.202 1.00 0.00 C ATOM 346 CG TYR A 49 -4.023 4.627 4.771 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.890 3.244 4.807 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.230 5.158 4.336 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.928 2.418 4.421 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.273 4.338 3.951 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.118 2.971 3.994 1.00 0.00 C ATOM 352 OH TYR A 49 -7.156 2.151 3.610 1.00 0.00 O ATOM 0 H TYR A 49 -4.359 6.633 7.084 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.298 4.507 6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.109 6.553 4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.977 5.233 4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.960 2.808 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.356 6.230 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.809 1.345 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.206 4.768 3.618 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.986 2.671 3.569 1.00 0.00 H new ATOM 362 N THR A 50 -0.350 5.979 7.461 1.00 0.00 N ATOM 363 CA THR A 50 0.776 6.841 7.835 1.00 0.00 C ATOM 364 C THR A 50 1.346 7.581 6.612 1.00 0.00 C ATOM 365 O THR A 50 1.292 8.811 6.566 1.00 0.00 O ATOM 366 CB THR A 50 1.884 6.058 8.577 1.00 0.00 C ATOM 367 OG1 THR A 50 1.392 5.614 9.847 1.00 0.00 O ATOM 368 CG2 THR A 50 3.125 6.917 8.783 1.00 0.00 C ATOM 0 H THR A 50 -0.160 4.979 7.526 1.00 0.00 H new ATOM 0 HA THR A 50 0.388 7.587 8.528 1.00 0.00 H new ATOM 0 HB THR A 50 2.161 5.200 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.804 4.841 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.885 6.338 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.513 7.234 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.866 7.795 9.375 1.00 0.00 H new ATOM 376 N PRO A 51 1.910 6.874 5.600 1.00 0.00 N ATOM 377 CA PRO A 51 2.420 7.539 4.400 1.00 0.00 C ATOM 378 C PRO A 51 1.276 7.999 3.497 1.00 0.00 C ATOM 379 O PRO A 51 0.718 7.208 2.734 1.00 0.00 O ATOM 380 CB PRO A 51 3.254 6.455 3.716 1.00 0.00 C ATOM 381 CG PRO A 51 2.633 5.175 4.148 1.00 0.00 C ATOM 382 CD PRO A 51 2.123 5.410 5.544 1.00 0.00 C ATOM 0 HA PRO A 51 2.994 8.437 4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.229 6.561 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.300 6.510 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.821 4.890 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.360 4.363 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.198 4.864 5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.843 5.081 6.294 1.00 0.00 H new ATOM 390 N GLU A 52 0.923 9.279 3.608 1.00 0.00 N ATOM 391 CA GLU A 52 -0.170 9.861 2.819 1.00 0.00 C ATOM 392 C GLU A 52 -0.024 9.573 1.321 1.00 0.00 C ATOM 393 O GLU A 52 -0.998 9.223 0.654 1.00 0.00 O ATOM 394 CB GLU A 52 -0.260 11.374 3.060 1.00 0.00 C ATOM 395 CG GLU A 52 1.076 12.099 2.973 1.00 0.00 C ATOM 396 CD GLU A 52 1.465 12.770 4.279 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.908 13.845 4.584 1.00 0.00 O ATOM 398 OE2 GLU A 52 2.328 12.216 4.993 1.00 0.00 O ATOM 0 H GLU A 52 1.379 9.938 4.239 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.093 9.387 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.944 11.807 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.692 11.549 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.852 11.389 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.027 12.850 2.184 1.00 0.00 H new ATOM 405 N LEU A 53 1.190 9.720 0.797 1.00 0.00 N ATOM 406 CA LEU A 53 1.446 9.465 -0.618 1.00 0.00 C ATOM 407 C LEU A 53 2.706 8.621 -0.797 1.00 0.00 C ATOM 408 O LEU A 53 3.798 9.041 -0.421 1.00 0.00 O ATOM 409 CB LEU A 53 1.592 10.777 -1.401 1.00 0.00 C ATOM 410 CG LEU A 53 1.339 12.066 -0.614 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.224 13.186 -1.135 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.127 12.468 -0.703 1.00 0.00 C ATOM 0 H LEU A 53 2.010 10.013 1.329 1.00 0.00 H new ATOM 0 HA LEU A 53 0.590 8.917 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.600 10.820 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.903 10.750 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 53 1.585 11.884 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.033 14.096 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.271 12.903 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.004 13.364 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.287 13.386 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.396 12.632 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.748 11.674 -0.289 1.00 0.00 H new ATOM 424 N ILE A 54 2.552 7.435 -1.377 1.00 0.00 N ATOM 425 CA ILE A 54 3.693 6.549 -1.608 1.00 0.00 C ATOM 426 C ILE A 54 4.214 6.688 -3.039 1.00 0.00 C ATOM 427 O ILE A 54 3.453 6.597 -4.006 1.00 0.00 O ATOM 428 CB ILE A 54 3.357 5.065 -1.320 1.00 0.00 C ATOM 429 CG1 ILE A 54 2.038 4.652 -1.977 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.309 4.813 0.179 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.643 3.217 -1.695 1.00 0.00 C ATOM 0 H ILE A 54 1.656 7.065 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 54 4.469 6.859 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 54 4.148 4.453 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.245 5.314 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.119 4.793 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.072 3.765 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.278 5.049 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.543 5.444 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.699 2.995 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.417 2.546 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.529 3.075 -0.620 1.00 0.00 H new ATOM 443 N VAL A 55 5.514 6.929 -3.167 1.00 0.00 N ATOM 444 CA VAL A 55 6.137 7.091 -4.479 1.00 0.00 C ATOM 445 C VAL A 55 6.762 5.782 -4.968 1.00 0.00 C ATOM 446 O VAL A 55 7.571 5.166 -4.270 1.00 0.00 O ATOM 447 CB VAL A 55 7.215 8.198 -4.449 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.911 8.325 -5.795 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.600 9.529 -4.036 1.00 0.00 C ATOM 0 H VAL A 55 6.158 7.017 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 55 5.348 7.381 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 55 7.966 7.917 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.664 9.112 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.391 7.379 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.178 8.575 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.373 10.298 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.825 9.809 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.162 9.435 -3.043 1.00 0.00 H new ATOM 459 N LEU A 56 6.380 5.369 -6.175 1.00 0.00 N ATOM 460 CA LEU A 56 6.890 4.133 -6.771 1.00 0.00 C ATOM 461 C LEU A 56 7.320 4.349 -8.226 1.00 0.00 C ATOM 462 O LEU A 56 6.996 5.368 -8.840 1.00 0.00 O ATOM 463 CB LEU A 56 5.822 3.035 -6.711 1.00 0.00 C ATOM 464 CG LEU A 56 5.454 2.558 -5.306 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.079 1.911 -5.307 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.497 1.586 -4.784 1.00 0.00 C ATOM 0 H LEU A 56 5.716 5.874 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 56 7.764 3.826 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.920 3.402 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.172 2.179 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 56 5.428 3.424 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.833 1.577 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.336 2.636 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.080 1.055 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.219 1.257 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.554 0.723 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.468 2.080 -4.747 1.00 0.00 H new ATOM 478 N LYS A 57 8.050 3.382 -8.774 1.00 0.00 N ATOM 479 CA LYS A 57 8.512 3.459 -10.159 1.00 0.00 C ATOM 480 C LYS A 57 7.569 2.686 -11.084 1.00 0.00 C ATOM 481 O LYS A 57 6.730 1.915 -10.620 1.00 0.00 O ATOM 482 CB LYS A 57 9.935 2.912 -10.278 1.00 0.00 C ATOM 483 CG LYS A 57 10.978 3.980 -10.562 1.00 0.00 C ATOM 484 CD LYS A 57 12.374 3.387 -10.644 1.00 0.00 C ATOM 485 CE LYS A 57 13.406 4.437 -11.021 1.00 0.00 C ATOM 486 NZ LYS A 57 14.645 3.825 -11.576 1.00 0.00 N ATOM 0 H LYS A 57 8.335 2.535 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 57 8.514 4.506 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.196 2.399 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.963 2.168 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.740 4.483 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.948 4.737 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.639 2.944 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.386 2.583 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.978 5.119 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.657 5.031 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.323 4.575 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.068 3.193 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.410 3.279 -12.429 1.00 0.00 H new ATOM 500 N LYS A 58 7.707 2.891 -12.389 1.00 0.00 N ATOM 501 CA LYS A 58 6.851 2.211 -13.359 1.00 0.00 C ATOM 502 C LYS A 58 7.527 0.970 -13.946 1.00 0.00 C ATOM 503 O LYS A 58 8.749 0.926 -14.089 1.00 0.00 O ATOM 504 CB LYS A 58 6.455 3.171 -14.483 1.00 0.00 C ATOM 505 CG LYS A 58 5.296 2.666 -15.326 1.00 0.00 C ATOM 506 CD LYS A 58 4.954 3.627 -16.453 1.00 0.00 C ATOM 507 CE LYS A 58 5.549 3.173 -17.777 1.00 0.00 C ATOM 508 NZ LYS A 58 4.512 2.630 -18.699 1.00 0.00 N ATOM 0 H LYS A 58 8.399 3.518 -12.800 1.00 0.00 H new ATOM 0 HA LYS A 58 5.956 1.883 -12.830 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.187 4.135 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.318 3.340 -15.128 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.549 1.692 -15.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.421 2.524 -14.692 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.871 3.706 -16.548 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.326 4.622 -16.209 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.054 4.013 -18.254 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.305 2.410 -17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.916 1.849 -19.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.704 2.280 -18.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.191 3.382 -19.342 1.00 0.00 H new ATOM 522 N SER A 59 6.705 -0.038 -14.268 1.00 0.00 N ATOM 523 CA SER A 59 7.169 -1.305 -14.853 1.00 0.00 C ATOM 524 C SER A 59 8.023 -2.110 -13.867 1.00 0.00 C ATOM 525 O SER A 59 8.763 -3.013 -14.264 1.00 0.00 O ATOM 526 CB SER A 59 7.953 -1.056 -16.150 1.00 0.00 C ATOM 527 OG SER A 59 8.326 -2.278 -16.764 1.00 0.00 O ATOM 0 H SER A 59 5.695 0.002 -14.130 1.00 0.00 H new ATOM 0 HA SER A 59 6.281 -1.893 -15.085 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.345 -0.470 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.845 -0.468 -15.932 1.00 0.00 H new ATOM 0 HG SER A 59 8.613 -2.915 -16.077 1.00 0.00 H new ATOM 533 N VAL A 60 7.907 -1.789 -12.584 1.00 0.00 N ATOM 534 CA VAL A 60 8.666 -2.482 -11.550 1.00 0.00 C ATOM 535 C VAL A 60 7.730 -3.078 -10.490 1.00 0.00 C ATOM 536 O VAL A 60 6.768 -2.433 -10.067 1.00 0.00 O ATOM 537 CB VAL A 60 9.697 -1.528 -10.888 1.00 0.00 C ATOM 538 CG1 VAL A 60 9.023 -0.549 -9.940 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.780 -2.307 -10.158 1.00 0.00 C ATOM 0 H VAL A 60 7.294 -1.052 -12.234 1.00 0.00 H new ATOM 0 HA VAL A 60 9.209 -3.299 -12.025 1.00 0.00 H new ATOM 0 HB VAL A 60 10.165 -0.957 -11.690 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.775 0.103 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.301 0.053 -10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.509 -1.100 -9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.486 -1.611 -9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.325 -2.920 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.306 -2.949 -10.865 1.00 0.00 H new ATOM 549 N PRO A 61 7.965 -4.338 -10.079 1.00 0.00 N ATOM 550 CA PRO A 61 7.145 -4.987 -9.050 1.00 0.00 C ATOM 551 C PRO A 61 7.281 -4.287 -7.697 1.00 0.00 C ATOM 552 O PRO A 61 8.382 -4.138 -7.169 1.00 0.00 O ATOM 553 CB PRO A 61 7.704 -6.415 -8.982 1.00 0.00 C ATOM 554 CG PRO A 61 9.071 -6.329 -9.572 1.00 0.00 C ATOM 555 CD PRO A 61 9.016 -5.230 -10.596 1.00 0.00 C ATOM 0 HA PRO A 61 6.082 -4.955 -9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.741 -6.775 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.077 -7.110 -9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.813 -6.110 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.357 -7.275 -10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.973 -4.715 -10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.767 -5.614 -11.585 1.00 0.00 H new ATOM 563 N ALA A 62 6.164 -3.840 -7.146 1.00 0.00 N ATOM 564 CA ALA A 62 6.180 -3.150 -5.863 1.00 0.00 C ATOM 565 C ALA A 62 5.256 -3.823 -4.853 1.00 0.00 C ATOM 566 O ALA A 62 4.150 -4.246 -5.193 1.00 0.00 O ATOM 567 CB ALA A 62 5.791 -1.694 -6.051 1.00 0.00 C ATOM 0 H ALA A 62 5.239 -3.941 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 62 7.194 -3.201 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.806 -1.186 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.499 -1.212 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.789 -1.637 -6.476 1.00 0.00 H new ATOM 573 N ARG A 63 5.712 -3.925 -3.612 1.00 0.00 N ATOM 574 CA ARG A 63 4.916 -4.547 -2.566 1.00 0.00 C ATOM 575 C ARG A 63 4.659 -3.578 -1.409 1.00 0.00 C ATOM 576 O ARG A 63 5.580 -2.969 -0.858 1.00 0.00 O ATOM 577 CB ARG A 63 5.581 -5.843 -2.081 1.00 0.00 C ATOM 578 CG ARG A 63 6.827 -5.646 -1.235 1.00 0.00 C ATOM 579 CD ARG A 63 7.733 -6.864 -1.292 1.00 0.00 C ATOM 580 NE ARG A 63 8.573 -6.977 -0.103 1.00 0.00 N ATOM 581 CZ ARG A 63 8.840 -8.115 0.514 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.362 -9.252 0.062 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.592 -8.115 1.587 1.00 0.00 N ATOM 0 H ARG A 63 6.625 -3.586 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 63 3.945 -4.806 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.854 -6.413 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.842 -6.447 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.371 -4.769 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.540 -5.452 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.125 -7.763 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.365 -6.805 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 63 8.980 -6.122 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.778 -9.263 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.575 -10.124 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.970 -7.238 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.799 -8.992 2.065 1.00 0.00 H new ATOM 597 N ILE A 64 3.388 -3.425 -1.071 1.00 0.00 N ATOM 598 CA ILE A 64 2.980 -2.533 0.010 1.00 0.00 C ATOM 599 C ILE A 64 2.740 -3.317 1.300 1.00 0.00 C ATOM 600 O ILE A 64 1.822 -4.133 1.378 1.00 0.00 O ATOM 601 CB ILE A 64 1.698 -1.749 -0.356 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.706 -1.347 -1.838 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.555 -0.520 0.531 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.716 -0.268 -2.182 1.00 0.00 C ATOM 0 H ILE A 64 2.616 -3.908 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 64 3.793 -1.823 0.163 1.00 0.00 H new ATOM 0 HB ILE A 64 0.840 -2.400 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.914 -2.230 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.711 -0.999 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.648 0.020 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.495 -0.829 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.419 0.130 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.658 -0.042 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.497 0.632 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.719 -0.618 -1.940 1.00 0.00 H new ATOM 616 N VAL A 65 3.569 -3.065 2.309 1.00 0.00 N ATOM 617 CA VAL A 65 3.455 -3.758 3.593 1.00 0.00 C ATOM 618 C VAL A 65 2.561 -2.989 4.563 1.00 0.00 C ATOM 619 O VAL A 65 2.935 -1.929 5.056 1.00 0.00 O ATOM 620 CB VAL A 65 4.839 -3.960 4.251 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.768 -5.028 5.333 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.889 -4.323 3.210 1.00 0.00 C ATOM 0 H VAL A 65 4.329 -2.386 2.264 1.00 0.00 H new ATOM 0 HA VAL A 65 3.010 -4.730 3.382 1.00 0.00 H new ATOM 0 HB VAL A 65 5.133 -3.018 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.752 -5.155 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.055 -4.723 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.446 -5.972 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.854 -4.460 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.601 -5.248 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.965 -3.522 2.475 1.00 0.00 H new ATOM 632 N PHE A 66 1.379 -3.530 4.842 1.00 0.00 N ATOM 633 CA PHE A 66 0.442 -2.884 5.756 1.00 0.00 C ATOM 634 C PHE A 66 0.563 -3.452 7.169 1.00 0.00 C ATOM 635 O PHE A 66 0.321 -4.638 7.402 1.00 0.00 O ATOM 636 CB PHE A 66 -0.993 -3.038 5.247 1.00 0.00 C ATOM 637 CG PHE A 66 -1.284 -2.217 4.024 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.456 -0.847 4.123 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.377 -2.815 2.779 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.718 -0.086 3.000 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.637 -2.058 1.652 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.807 -0.692 1.763 1.00 0.00 C ATOM 0 H PHE A 66 1.048 -4.411 4.450 1.00 0.00 H new ATOM 0 HA PHE A 66 0.693 -1.824 5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.180 -4.088 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.684 -2.753 6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.385 -0.368 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.245 -3.883 2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.853 0.982 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.707 -2.534 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.009 -0.099 0.883 1.00 0.00 H new ATOM 652 N ASP A 67 0.945 -2.594 8.109 1.00 0.00 N ATOM 653 CA ASP A 67 1.095 -2.989 9.506 1.00 0.00 C ATOM 654 C ASP A 67 -0.132 -2.565 10.315 1.00 0.00 C ATOM 655 O ASP A 67 -0.254 -1.403 10.701 1.00 0.00 O ATOM 656 CB ASP A 67 2.362 -2.356 10.095 1.00 0.00 C ATOM 657 CG ASP A 67 2.907 -3.120 11.288 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.166 -3.285 12.280 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.075 -3.560 11.229 1.00 0.00 O ATOM 0 H ASP A 67 1.158 -1.613 7.927 1.00 0.00 H new ATOM 0 HA ASP A 67 1.184 -4.074 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.129 -2.305 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.144 -1.331 10.396 1.00 0.00 H new ATOM 664 N ARG A 68 -1.033 -3.510 10.570 1.00 0.00 N ATOM 665 CA ARG A 68 -2.254 -3.219 11.324 1.00 0.00 C ATOM 666 C ARG A 68 -1.970 -3.094 12.823 1.00 0.00 C ATOM 667 O ARG A 68 -1.972 -4.084 13.559 1.00 0.00 O ATOM 668 CB ARG A 68 -3.307 -4.300 11.073 1.00 0.00 C ATOM 669 CG ARG A 68 -4.732 -3.763 11.032 1.00 0.00 C ATOM 670 CD ARG A 68 -5.667 -4.611 11.880 1.00 0.00 C ATOM 671 NE ARG A 68 -7.022 -4.064 11.929 1.00 0.00 N ATOM 672 CZ ARG A 68 -8.118 -4.802 11.841 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.042 -6.096 11.646 1.00 0.00 N ATOM 674 NH2 ARG A 68 -9.301 -4.246 11.927 1.00 0.00 N ATOM 0 H ARG A 68 -0.944 -4.480 10.268 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.639 -2.261 10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.087 -4.797 10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.234 -5.055 11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.745 -2.734 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.087 -3.746 10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.701 -5.623 11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.270 -4.683 12.893 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.129 -3.055 12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.131 -6.546 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.894 -6.653 11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.382 -3.238 12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.141 -4.821 11.858 1.00 0.00 H new ATOM 688 N LYS A 69 -1.728 -1.861 13.260 1.00 0.00 N ATOM 689 CA LYS A 69 -1.444 -1.571 14.663 1.00 0.00 C ATOM 690 C LYS A 69 -2.739 -1.306 15.435 1.00 0.00 C ATOM 691 O LYS A 69 -2.879 -1.695 16.594 1.00 0.00 O ATOM 692 CB LYS A 69 -0.513 -0.357 14.762 1.00 0.00 C ATOM 693 CG LYS A 69 -0.023 -0.067 16.172 1.00 0.00 C ATOM 694 CD LYS A 69 -0.592 1.238 16.707 1.00 0.00 C ATOM 695 CE LYS A 69 -0.259 1.432 18.178 1.00 0.00 C ATOM 696 NZ LYS A 69 0.424 2.732 18.428 1.00 0.00 N ATOM 0 H LYS A 69 -1.723 -1.039 12.656 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.954 -2.438 15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.349 -0.519 14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.036 0.521 14.382 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.308 -0.886 16.832 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.066 -0.018 16.176 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.194 2.073 16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.674 1.246 16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.175 1.385 18.767 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.380 0.616 18.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.633 2.825 19.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.311 2.768 17.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.195 3.512 18.130 1.00 0.00 H new ATOM 710 N ASP A 70 -3.682 -0.638 14.781 1.00 0.00 N ATOM 711 CA ASP A 70 -4.966 -0.322 15.398 1.00 0.00 C ATOM 712 C ASP A 70 -6.056 -1.281 14.906 1.00 0.00 C ATOM 713 O ASP A 70 -6.236 -1.459 13.702 1.00 0.00 O ATOM 714 CB ASP A 70 -5.351 1.129 15.089 1.00 0.00 C ATOM 715 CG ASP A 70 -6.377 1.682 16.061 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.996 2.015 17.200 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.564 1.777 15.676 1.00 0.00 O ATOM 0 H ASP A 70 -3.582 -0.304 13.822 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.872 -0.441 16.477 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.457 1.752 15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.748 1.187 14.076 1.00 0.00 H new ATOM 722 N PRO A 71 -6.816 -1.890 15.839 1.00 0.00 N ATOM 723 CA PRO A 71 -7.890 -2.838 15.506 1.00 0.00 C ATOM 724 C PRO A 71 -9.181 -2.147 15.059 1.00 0.00 C ATOM 725 O PRO A 71 -10.282 -2.581 15.400 1.00 0.00 O ATOM 726 CB PRO A 71 -8.107 -3.567 16.829 1.00 0.00 C ATOM 727 CG PRO A 71 -7.808 -2.539 17.863 1.00 0.00 C ATOM 728 CD PRO A 71 -6.694 -1.694 17.295 1.00 0.00 C ATOM 0 HA PRO A 71 -7.624 -3.484 14.669 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.129 -3.936 16.918 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.447 -4.430 16.922 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.688 -1.933 18.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.506 -3.005 18.801 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.807 -0.645 17.569 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.720 -2.016 17.662 1.00 0.00 H new ATOM 736 N SER A 72 -9.036 -1.069 14.295 1.00 0.00 N ATOM 737 CA SER A 72 -10.185 -0.315 13.797 1.00 0.00 C ATOM 738 C SER A 72 -10.942 -1.109 12.732 1.00 0.00 C ATOM 739 O SER A 72 -10.331 -1.687 11.832 1.00 0.00 O ATOM 740 CB SER A 72 -9.726 1.023 13.212 1.00 0.00 C ATOM 741 OG SER A 72 -9.767 2.049 14.188 1.00 0.00 O ATOM 0 H SER A 72 -8.132 -0.696 14.006 1.00 0.00 H new ATOM 0 HA SER A 72 -10.856 -0.132 14.636 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.712 0.925 12.826 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.363 1.293 12.370 1.00 0.00 H new ATOM 0 HG SER A 72 -9.056 1.903 14.846 1.00 0.00 H new ATOM 747 N PRO A 73 -12.287 -1.135 12.811 1.00 0.00 N ATOM 748 CA PRO A 73 -13.129 -1.870 11.850 1.00 0.00 C ATOM 749 C PRO A 73 -13.016 -1.329 10.426 1.00 0.00 C ATOM 750 O PRO A 73 -13.125 -2.080 9.457 1.00 0.00 O ATOM 751 CB PRO A 73 -14.550 -1.667 12.387 1.00 0.00 C ATOM 752 CG PRO A 73 -14.470 -0.437 13.224 1.00 0.00 C ATOM 753 CD PRO A 73 -13.096 -0.448 13.833 1.00 0.00 C ATOM 0 HA PRO A 73 -12.830 -2.915 11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.266 -1.546 11.574 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.877 -2.525 12.975 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.624 0.458 12.621 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.240 -0.438 13.995 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.732 0.561 14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.080 -0.979 14.785 1.00 0.00 H new ATOM 761 N CYS A 74 -12.782 -0.024 10.303 1.00 0.00 N ATOM 762 CA CYS A 74 -12.650 0.619 8.996 1.00 0.00 C ATOM 763 C CYS A 74 -11.291 0.316 8.357 1.00 0.00 C ATOM 764 O CYS A 74 -11.065 0.621 7.188 1.00 0.00 O ATOM 765 CB CYS A 74 -12.832 2.133 9.128 1.00 0.00 C ATOM 766 SG CYS A 74 -12.265 2.809 10.707 1.00 0.00 S ATOM 0 H CYS A 74 -12.680 0.611 11.095 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.429 0.215 8.349 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.292 2.625 8.319 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.887 2.374 9.000 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.053 2.407 11.659 1.00 0.00 H new ATOM 772 N LEU A 75 -10.392 -0.289 9.129 1.00 0.00 N ATOM 773 CA LEU A 75 -9.060 -0.629 8.636 1.00 0.00 C ATOM 774 C LEU A 75 -8.864 -2.146 8.551 1.00 0.00 C ATOM 775 O LEU A 75 -7.741 -2.627 8.404 1.00 0.00 O ATOM 776 CB LEU A 75 -7.989 -0.020 9.545 1.00 0.00 C ATOM 777 CG LEU A 75 -7.758 1.484 9.369 1.00 0.00 C ATOM 778 CD1 LEU A 75 -7.004 2.039 10.563 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.998 1.765 8.083 1.00 0.00 C ATOM 0 H LEU A 75 -10.562 -0.554 10.099 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.963 -0.217 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.266 -0.209 10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.047 -0.539 9.367 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.727 1.978 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.845 3.109 10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.584 1.870 11.470 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.040 1.537 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.845 2.839 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.031 1.262 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.572 1.396 7.233 1.00 0.00 H new ATOM 791 N ASP A 76 -9.964 -2.895 8.642 1.00 0.00 N ATOM 792 CA ASP A 76 -9.911 -4.356 8.578 1.00 0.00 C ATOM 793 C ASP A 76 -9.556 -4.849 7.172 1.00 0.00 C ATOM 794 O ASP A 76 -8.820 -5.823 7.013 1.00 0.00 O ATOM 795 CB ASP A 76 -11.255 -4.950 9.012 1.00 0.00 C ATOM 796 CG ASP A 76 -11.124 -6.359 9.559 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.820 -6.503 10.765 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.334 -7.319 8.787 1.00 0.00 O ATOM 0 H ASP A 76 -10.903 -2.514 8.760 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.127 -4.688 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.702 -4.310 9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.936 -4.957 8.161 1.00 0.00 H new ATOM 803 N GLN A 77 -10.086 -4.178 6.158 1.00 0.00 N ATOM 804 CA GLN A 77 -9.827 -4.560 4.773 1.00 0.00 C ATOM 805 C GLN A 77 -9.217 -3.408 3.982 1.00 0.00 C ATOM 806 O GLN A 77 -9.338 -2.242 4.360 1.00 0.00 O ATOM 807 CB GLN A 77 -11.124 -5.013 4.093 1.00 0.00 C ATOM 808 CG GLN A 77 -11.794 -6.194 4.773 1.00 0.00 C ATOM 809 CD GLN A 77 -12.117 -7.320 3.809 1.00 0.00 C ATOM 810 OE1 GLN A 77 -11.624 -8.436 3.952 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.952 -7.038 2.822 1.00 0.00 N ATOM 0 H GLN A 77 -10.697 -3.368 6.266 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.115 -5.385 4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.822 -4.176 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.907 -5.277 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.142 -6.572 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.713 -5.858 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.341 -6.099 2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.206 -7.759 2.147 1.00 0.00 H new ATOM 820 N ILE A 78 -8.552 -3.746 2.883 1.00 0.00 N ATOM 821 CA ILE A 78 -7.938 -2.747 2.014 1.00 0.00 C ATOM 822 C ILE A 78 -8.157 -3.110 0.545 1.00 0.00 C ATOM 823 O ILE A 78 -7.921 -4.246 0.129 1.00 0.00 O ATOM 824 CB ILE A 78 -6.423 -2.574 2.291 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.824 -1.539 1.333 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.685 -3.903 2.174 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.278 -0.315 2.031 1.00 0.00 C ATOM 0 H ILE A 78 -8.424 -4.709 2.571 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.423 -1.796 2.233 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.304 -2.217 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.024 -2.007 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.589 -1.230 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.625 -3.749 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.092 -4.610 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.810 -4.301 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.870 0.374 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.079 0.177 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.490 -0.612 2.723 1.00 0.00 H new ATOM 839 N VAL A 79 -8.630 -2.152 -0.234 1.00 0.00 N ATOM 840 CA VAL A 79 -8.874 -2.386 -1.651 1.00 0.00 C ATOM 841 C VAL A 79 -8.310 -1.256 -2.508 1.00 0.00 C ATOM 842 O VAL A 79 -8.496 -0.075 -2.213 1.00 0.00 O ATOM 843 CB VAL A 79 -10.385 -2.579 -1.949 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.219 -1.530 -1.237 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.660 -2.556 -3.449 1.00 0.00 C ATOM 0 H VAL A 79 -8.852 -1.209 0.086 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.355 -3.309 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.672 -3.559 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.273 -1.689 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.063 -1.609 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.921 -0.537 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.727 -2.694 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.344 -1.598 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.106 -3.360 -3.933 1.00 0.00 H new ATOM 855 N PHE A 80 -7.591 -1.640 -3.553 1.00 0.00 N ATOM 856 CA PHE A 80 -7.003 -0.692 -4.486 1.00 0.00 C ATOM 857 C PHE A 80 -7.951 -0.486 -5.672 1.00 0.00 C ATOM 858 O PHE A 80 -8.003 -1.319 -6.577 1.00 0.00 O ATOM 859 CB PHE A 80 -5.650 -1.217 -4.979 1.00 0.00 C ATOM 860 CG PHE A 80 -4.494 -0.877 -4.080 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.349 -1.500 -2.850 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.550 0.060 -4.469 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.284 -1.195 -2.024 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.483 0.370 -3.646 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.350 -0.257 -2.422 1.00 0.00 C ATOM 0 H PHE A 80 -7.399 -2.616 -3.777 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.847 0.262 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.709 -2.300 -5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.455 -0.812 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.077 -2.232 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.649 0.553 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.182 -1.689 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.754 1.102 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.518 -0.015 -1.778 1.00 0.00 H new ATOM 875 N PRO A 81 -8.701 0.634 -5.697 1.00 0.00 N ATOM 876 CA PRO A 81 -9.669 0.917 -6.771 1.00 0.00 C ATOM 877 C PRO A 81 -9.016 1.172 -8.132 1.00 0.00 C ATOM 878 O PRO A 81 -9.689 1.162 -9.161 1.00 0.00 O ATOM 879 CB PRO A 81 -10.390 2.176 -6.281 1.00 0.00 C ATOM 880 CG PRO A 81 -9.440 2.822 -5.331 1.00 0.00 C ATOM 881 CD PRO A 81 -8.664 1.708 -4.689 1.00 0.00 C ATOM 0 HA PRO A 81 -10.325 0.064 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.631 2.841 -7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.330 1.926 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.774 3.509 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.975 3.405 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.642 2.010 -4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.118 1.392 -3.750 1.00 0.00 H new ATOM 889 N ASP A 82 -7.707 1.395 -8.136 1.00 0.00 N ATOM 890 CA ASP A 82 -6.982 1.647 -9.377 1.00 0.00 C ATOM 891 C ASP A 82 -6.249 0.392 -9.874 1.00 0.00 C ATOM 892 O ASP A 82 -5.728 0.375 -10.988 1.00 0.00 O ATOM 893 CB ASP A 82 -5.983 2.789 -9.175 1.00 0.00 C ATOM 894 CG ASP A 82 -6.658 4.146 -9.130 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.363 4.493 -10.100 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.483 4.863 -8.120 1.00 0.00 O ATOM 0 H ASP A 82 -7.127 1.407 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.712 1.928 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.434 2.628 -8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.252 2.776 -9.984 1.00 0.00 H new ATOM 901 N PHE A 83 -6.212 -0.655 -9.046 1.00 0.00 N ATOM 902 CA PHE A 83 -5.526 -1.895 -9.419 1.00 0.00 C ATOM 903 C PHE A 83 -6.456 -3.114 -9.369 1.00 0.00 C ATOM 904 O PHE A 83 -6.174 -4.142 -9.980 1.00 0.00 O ATOM 905 CB PHE A 83 -4.314 -2.115 -8.505 1.00 0.00 C ATOM 906 CG PHE A 83 -3.165 -1.198 -8.820 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.192 0.126 -8.413 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.067 -1.654 -9.531 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.149 0.977 -8.708 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.016 -0.806 -9.827 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.059 0.512 -9.416 1.00 0.00 C ATOM 0 H PHE A 83 -6.644 -0.670 -8.122 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.194 -1.788 -10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.616 -1.966 -7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.981 -3.149 -8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.041 0.496 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.032 -2.683 -9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.184 2.007 -8.385 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.163 -1.173 -10.378 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.241 1.178 -9.648 1.00 0.00 H new ATOM 921 N GLY A 84 -7.563 -2.995 -8.636 1.00 0.00 N ATOM 922 CA GLY A 84 -8.508 -4.099 -8.520 1.00 0.00 C ATOM 923 C GLY A 84 -8.055 -5.144 -7.515 1.00 0.00 C ATOM 924 O GLY A 84 -8.364 -6.327 -7.650 1.00 0.00 O ATOM 0 H GLY A 84 -7.823 -2.154 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.482 -3.711 -8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.636 -4.568 -9.495 1.00 0.00 H new ATOM 928 N VAL A 85 -7.329 -4.697 -6.496 1.00 0.00 N ATOM 929 CA VAL A 85 -6.808 -5.591 -5.466 1.00 0.00 C ATOM 930 C VAL A 85 -7.502 -5.369 -4.118 1.00 0.00 C ATOM 931 O VAL A 85 -7.401 -4.299 -3.528 1.00 0.00 O ATOM 932 CB VAL A 85 -5.282 -5.389 -5.303 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.759 -6.093 -4.059 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.545 -5.871 -6.543 1.00 0.00 C ATOM 0 H VAL A 85 -7.087 -3.716 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.011 -6.613 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.097 -4.322 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.684 -5.931 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.257 -5.691 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.960 -7.162 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.473 -5.721 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.747 -6.931 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.886 -5.307 -7.411 1.00 0.00 H new ATOM 944 N HIS A 86 -8.206 -6.392 -3.641 1.00 0.00 N ATOM 945 CA HIS A 86 -8.909 -6.316 -2.354 1.00 0.00 C ATOM 946 C HIS A 86 -8.382 -7.389 -1.390 1.00 0.00 C ATOM 947 O HIS A 86 -8.445 -8.583 -1.689 1.00 0.00 O ATOM 948 CB HIS A 86 -10.429 -6.475 -2.545 1.00 0.00 C ATOM 949 CG HIS A 86 -10.829 -7.485 -3.584 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.385 -8.792 -3.579 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.644 -7.374 -4.661 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.907 -9.438 -4.604 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.675 -8.601 -5.276 1.00 0.00 N ATOM 0 H HIS A 86 -8.308 -7.285 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.719 -5.332 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.874 -6.759 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.850 -5.507 -2.817 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.751 -9.196 -2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.171 -6.486 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.735 -10.475 -4.851 1.00 0.00 H new ATOM 961 N ALA A 87 -7.869 -6.961 -0.240 1.00 0.00 N ATOM 962 CA ALA A 87 -7.319 -7.897 0.743 1.00 0.00 C ATOM 963 C ALA A 87 -7.737 -7.556 2.176 1.00 0.00 C ATOM 964 O ALA A 87 -8.338 -6.511 2.436 1.00 0.00 O ATOM 965 CB ALA A 87 -5.802 -7.927 0.636 1.00 0.00 C ATOM 0 H ALA A 87 -7.821 -5.980 0.035 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.727 -8.882 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.399 -8.625 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.514 -8.247 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.404 -6.930 0.827 1.00 0.00 H new ATOM 971 N ASN A 88 -7.408 -8.455 3.102 1.00 0.00 N ATOM 972 CA ASN A 88 -7.727 -8.279 4.520 1.00 0.00 C ATOM 973 C ASN A 88 -6.446 -8.086 5.337 1.00 0.00 C ATOM 974 O ASN A 88 -5.426 -8.717 5.057 1.00 0.00 O ATOM 975 CB ASN A 88 -8.503 -9.496 5.036 1.00 0.00 C ATOM 976 CG ASN A 88 -9.117 -9.270 6.406 1.00 0.00 C ATOM 977 OD1 ASN A 88 -8.473 -9.478 7.430 1.00 0.00 O ATOM 978 ND2 ASN A 88 -10.370 -8.853 6.431 1.00 0.00 N ATOM 0 H ASN A 88 -6.915 -9.323 2.893 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.346 -7.389 4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.292 -9.744 4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.833 -10.355 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.836 -8.692 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.871 -8.692 5.557 1.00 0.00 H new ATOM 985 N LEU A 89 -6.496 -7.218 6.344 1.00 0.00 N ATOM 986 CA LEU A 89 -5.327 -6.959 7.183 1.00 0.00 C ATOM 987 C LEU A 89 -5.468 -7.612 8.561 1.00 0.00 C ATOM 988 O LEU A 89 -6.420 -7.347 9.296 1.00 0.00 O ATOM 989 CB LEU A 89 -5.093 -5.454 7.341 1.00 0.00 C ATOM 990 CG LEU A 89 -5.062 -4.656 6.035 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.961 -3.165 6.323 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.903 -5.108 5.161 1.00 0.00 C ATOM 0 H LEU A 89 -7.327 -6.685 6.599 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.466 -7.401 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.878 -5.046 7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.148 -5.303 7.862 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.992 -4.841 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.940 -2.613 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.823 -2.849 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.047 -2.964 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.897 -4.530 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.964 -4.952 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.016 -6.166 4.926 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.505 -8.475 8.927 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.510 -9.175 10.215 1.00 0.00 C ATOM 1006 C PRO A 90 -4.046 -8.287 11.372 1.00 0.00 C ATOM 1007 O PRO A 90 -3.025 -7.605 11.278 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.532 -10.326 9.985 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.580 -9.827 8.946 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.332 -8.831 8.106 1.00 0.00 C ATOM 0 HA PRO A 90 -5.511 -9.497 10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.009 -10.589 10.905 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.051 -11.222 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.711 -9.362 9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.212 -10.649 8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.721 -7.956 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.631 -9.262 7.150 1.00 0.00 H new ATOM 1018 N MET A 91 -4.801 -8.306 12.467 1.00 0.00 N ATOM 1019 CA MET A 91 -4.481 -7.496 13.642 1.00 0.00 C ATOM 1020 C MET A 91 -3.209 -7.986 14.339 1.00 0.00 C ATOM 1021 O MET A 91 -3.097 -9.155 14.709 1.00 0.00 O ATOM 1022 CB MET A 91 -5.657 -7.503 14.623 1.00 0.00 C ATOM 1023 CG MET A 91 -5.386 -6.744 15.912 1.00 0.00 C ATOM 1024 SD MET A 91 -4.835 -5.051 15.626 1.00 0.00 S ATOM 1025 CE MET A 91 -3.930 -4.736 17.139 1.00 0.00 C ATOM 0 H MET A 91 -5.642 -8.875 12.567 1.00 0.00 H new ATOM 0 HA MET A 91 -4.300 -6.476 13.302 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.529 -7.069 14.133 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.909 -8.535 14.866 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.293 -6.728 16.516 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.628 -7.275 16.488 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.156 -3.731 17.496 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.222 -5.464 17.896 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.860 -4.821 16.948 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.252 -7.074 14.511 1.00 0.00 N ATOM 1036 CA GLY A 92 -0.997 -7.413 15.164 1.00 0.00 C ATOM 1037 C GLY A 92 0.002 -8.075 14.229 1.00 0.00 C ATOM 1038 O GLY A 92 1.041 -8.565 14.671 1.00 0.00 O ATOM 0 H GLY A 92 -2.325 -6.103 14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.553 -6.507 15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.199 -8.080 16.002 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.308 -8.084 12.936 1.00 0.00 N ATOM 1043 CA GLU A 93 0.566 -8.699 11.940 1.00 0.00 C ATOM 1044 C GLU A 93 0.740 -7.790 10.723 1.00 0.00 C ATOM 1045 O GLU A 93 0.138 -6.717 10.641 1.00 0.00 O ATOM 1046 CB GLU A 93 0.007 -10.058 11.507 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.068 -11.079 12.632 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.584 -12.427 12.168 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.815 -12.638 12.203 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.244 -13.274 11.766 1.00 0.00 O ATOM 0 H GLU A 93 -1.159 -7.672 12.552 1.00 0.00 H new ATOM 0 HA GLU A 93 1.544 -8.847 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.991 -9.914 11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.630 -10.458 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.923 -11.205 13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.718 -10.698 13.420 1.00 0.00 H new ATOM 1057 N GLU A 94 1.571 -8.222 9.778 1.00 0.00 N ATOM 1058 CA GLU A 94 1.826 -7.440 8.569 1.00 0.00 C ATOM 1059 C GLU A 94 1.326 -8.158 7.318 1.00 0.00 C ATOM 1060 O GLU A 94 1.571 -9.348 7.127 1.00 0.00 O ATOM 1061 CB GLU A 94 3.323 -7.156 8.426 1.00 0.00 C ATOM 1062 CG GLU A 94 3.867 -6.191 9.465 1.00 0.00 C ATOM 1063 CD GLU A 94 5.163 -6.673 10.091 1.00 0.00 C ATOM 1064 OE1 GLU A 94 5.097 -7.388 11.113 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.242 -6.340 9.556 1.00 0.00 O ATOM 0 H GLU A 94 2.078 -9.106 9.824 1.00 0.00 H new ATOM 0 HA GLU A 94 1.281 -6.501 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.870 -8.096 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.513 -6.750 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.032 -5.219 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.122 -6.048 10.247 1.00 0.00 H new ATOM 1072 N TYR A 95 0.623 -7.419 6.468 1.00 0.00 N ATOM 1073 CA TYR A 95 0.103 -7.966 5.217 1.00 0.00 C ATOM 1074 C TYR A 95 0.679 -7.196 4.032 1.00 0.00 C ATOM 1075 O TYR A 95 0.543 -5.975 3.952 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.427 -7.911 5.196 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.054 -8.902 4.240 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.330 -10.204 4.641 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.370 -8.537 2.938 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.902 -11.113 3.772 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.940 -9.440 2.062 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.206 -10.726 2.484 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.775 -11.628 1.615 1.00 0.00 O ATOM 0 H TYR A 95 0.398 -6.436 6.622 1.00 0.00 H new ATOM 0 HA TYR A 95 0.406 -9.010 5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.803 -8.100 6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.743 -6.904 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.093 -10.510 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.167 -7.530 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.110 -12.121 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.176 -9.141 1.052 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.927 -11.196 0.749 1.00 0.00 H new ATOM 1093 N VAL A 96 1.324 -7.906 3.116 1.00 0.00 N ATOM 1094 CA VAL A 96 1.935 -7.261 1.958 1.00 0.00 C ATOM 1095 C VAL A 96 1.108 -7.439 0.678 1.00 0.00 C ATOM 1096 O VAL A 96 0.565 -8.512 0.402 1.00 0.00 O ATOM 1097 CB VAL A 96 3.389 -7.765 1.744 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.429 -9.086 0.985 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.220 -6.712 1.030 1.00 0.00 C ATOM 0 H VAL A 96 1.438 -8.919 3.150 1.00 0.00 H new ATOM 0 HA VAL A 96 1.961 -6.193 2.174 1.00 0.00 H new ATOM 0 HB VAL A 96 3.820 -7.944 2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.465 -9.401 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.885 -9.845 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.966 -8.958 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.235 -7.083 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.775 -6.494 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.247 -5.802 1.629 1.00 0.00 H new ATOM 1109 N VAL A 97 0.990 -6.354 -0.083 1.00 0.00 N ATOM 1110 CA VAL A 97 0.257 -6.361 -1.346 1.00 0.00 C ATOM 1111 C VAL A 97 1.219 -6.153 -2.515 1.00 0.00 C ATOM 1112 O VAL A 97 1.800 -5.078 -2.670 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.837 -5.268 -1.375 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.442 -5.126 -2.769 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.923 -5.576 -0.354 1.00 0.00 C ATOM 0 H VAL A 97 1.397 -5.450 0.157 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.229 -7.332 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.369 -4.319 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.207 -4.350 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.661 -4.853 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.890 -6.073 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.685 -4.797 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.378 -6.539 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.485 -5.613 0.643 1.00 0.00 H new ATOM 1125 N GLU A 98 1.391 -7.189 -3.329 1.00 0.00 N ATOM 1126 CA GLU A 98 2.294 -7.118 -4.477 1.00 0.00 C ATOM 1127 C GLU A 98 1.553 -6.704 -5.748 1.00 0.00 C ATOM 1128 O GLU A 98 0.632 -7.390 -6.195 1.00 0.00 O ATOM 1129 CB GLU A 98 2.988 -8.466 -4.686 1.00 0.00 C ATOM 1130 CG GLU A 98 4.324 -8.577 -3.968 1.00 0.00 C ATOM 1131 CD GLU A 98 4.656 -9.997 -3.551 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.206 -10.942 -4.234 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.371 -10.165 -2.538 1.00 0.00 O ATOM 0 H GLU A 98 0.919 -8.087 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 98 3.045 -6.356 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.330 -9.262 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.144 -8.624 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.113 -8.202 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.310 -7.939 -3.085 1.00 0.00 H new ATOM 1140 N ILE A 99 1.964 -5.579 -6.326 1.00 0.00 N ATOM 1141 CA ILE A 99 1.342 -5.064 -7.546 1.00 0.00 C ATOM 1142 C ILE A 99 2.396 -4.577 -8.542 1.00 0.00 C ATOM 1143 O ILE A 99 3.513 -4.222 -8.163 1.00 0.00 O ATOM 1144 CB ILE A 99 0.361 -3.907 -7.248 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.746 -3.187 -5.950 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.065 -4.432 -7.165 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.002 -1.892 -5.725 1.00 0.00 C ATOM 0 H ILE A 99 2.727 -5.004 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 99 0.785 -5.894 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 99 0.420 -3.188 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.561 -3.853 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.816 -2.980 -5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.745 -3.606 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.338 -4.895 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.135 -5.172 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.324 -1.441 -4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.202 -1.206 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.072 -2.093 -5.677 1.00 0.00 H new ATOM 1159 N THR A 100 2.032 -4.565 -9.819 1.00 0.00 N ATOM 1160 CA THR A 100 2.944 -4.123 -10.870 1.00 0.00 C ATOM 1161 C THR A 100 2.388 -2.915 -11.623 1.00 0.00 C ATOM 1162 O THR A 100 1.564 -3.062 -12.529 1.00 0.00 O ATOM 1163 CB THR A 100 3.233 -5.251 -11.882 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.379 -6.504 -11.198 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.495 -4.957 -12.680 1.00 0.00 C ATOM 0 H THR A 100 1.113 -4.856 -10.153 1.00 0.00 H new ATOM 0 HA THR A 100 3.872 -3.841 -10.373 1.00 0.00 H new ATOM 0 HB THR A 100 2.390 -5.309 -12.571 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.560 -7.213 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.676 -5.767 -13.386 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.371 -4.022 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.343 -4.871 -12.001 1.00 0.00 H new ATOM 1173 N PRO A 101 2.828 -1.699 -11.255 1.00 0.00 N ATOM 1174 CA PRO A 101 2.378 -0.460 -11.901 1.00 0.00 C ATOM 1175 C PRO A 101 2.992 -0.267 -13.290 1.00 0.00 C ATOM 1176 O PRO A 101 4.141 0.154 -13.423 1.00 0.00 O ATOM 1177 CB PRO A 101 2.867 0.624 -10.940 1.00 0.00 C ATOM 1178 CG PRO A 101 4.079 0.033 -10.305 1.00 0.00 C ATOM 1179 CD PRO A 101 3.793 -1.435 -10.169 1.00 0.00 C ATOM 0 HA PRO A 101 1.301 -0.451 -12.070 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.105 1.547 -11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.108 0.869 -10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.964 0.204 -10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.272 0.486 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.698 -2.032 -10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.373 -1.673 -9.192 1.00 0.00 H new ATOM 1187 N GLU A 102 2.220 -0.575 -14.325 1.00 0.00 N ATOM 1188 CA GLU A 102 2.699 -0.433 -15.701 1.00 0.00 C ATOM 1189 C GLU A 102 2.274 0.905 -16.312 1.00 0.00 C ATOM 1190 O GLU A 102 2.544 1.181 -17.483 1.00 0.00 O ATOM 1191 CB GLU A 102 2.185 -1.595 -16.558 1.00 0.00 C ATOM 1192 CG GLU A 102 2.741 -2.948 -16.144 1.00 0.00 C ATOM 1193 CD GLU A 102 1.859 -4.106 -16.578 1.00 0.00 C ATOM 1194 OE1 GLU A 102 1.437 -4.123 -17.754 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.595 -4.995 -15.743 1.00 0.00 O ATOM 0 H GLU A 102 1.265 -0.923 -14.242 1.00 0.00 H new ATOM 0 HA GLU A 102 3.789 -0.455 -15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.097 -1.625 -16.500 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.443 -1.409 -17.600 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.735 -3.074 -16.573 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.857 -2.972 -15.060 1.00 0.00 H new ATOM 1202 N GLN A 103 1.626 1.742 -15.506 1.00 0.00 N ATOM 1203 CA GLN A 103 1.166 3.051 -15.957 1.00 0.00 C ATOM 1204 C GLN A 103 1.592 4.144 -14.979 1.00 0.00 C ATOM 1205 O GLN A 103 1.442 3.998 -13.767 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.356 3.056 -16.108 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.833 2.766 -17.525 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.512 1.416 -17.651 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -1.162 0.461 -16.962 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.491 1.326 -18.535 1.00 0.00 N ATOM 0 H GLN A 103 1.407 1.535 -14.532 1.00 0.00 H new ATOM 0 HA GLN A 103 1.622 3.254 -16.926 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.781 2.314 -15.432 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.740 4.028 -15.797 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.526 3.547 -17.837 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.018 2.805 -18.205 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.754 2.141 -19.089 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.983 0.442 -18.663 1.00 0.00 H new ATOM 1219 N ALA A 104 2.126 5.238 -15.512 1.00 0.00 N ATOM 1220 CA ALA A 104 2.574 6.353 -14.683 1.00 0.00 C ATOM 1221 C ALA A 104 1.452 7.363 -14.461 1.00 0.00 C ATOM 1222 O ALA A 104 0.813 7.818 -15.411 1.00 0.00 O ATOM 1223 CB ALA A 104 3.782 7.029 -15.315 1.00 0.00 C ATOM 0 H ALA A 104 2.259 5.377 -16.514 1.00 0.00 H new ATOM 0 HA ALA A 104 2.862 5.955 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.105 7.859 -14.686 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.594 6.308 -15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.513 7.405 -16.302 1.00 0.00 H new ATOM 1229 N GLY A 105 1.220 7.707 -13.201 1.00 0.00 N ATOM 1230 CA GLY A 105 0.172 8.659 -12.872 1.00 0.00 C ATOM 1231 C GLY A 105 -0.134 8.707 -11.387 1.00 0.00 C ATOM 1232 O GLY A 105 0.625 8.182 -10.569 1.00 0.00 O ATOM 0 H GLY A 105 1.737 7.345 -12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.470 9.652 -13.209 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.735 8.397 -13.417 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.249 9.339 -11.042 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.667 9.456 -9.649 1.00 0.00 C ATOM 1238 C GLU A 106 -2.739 8.420 -9.317 1.00 0.00 C ATOM 1239 O GLU A 106 -3.859 8.478 -9.823 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.197 10.862 -9.363 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.320 11.663 -8.413 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.896 13.029 -8.097 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.672 13.967 -8.891 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.572 13.164 -7.052 1.00 0.00 O ATOM 0 H GLU A 106 -1.882 9.780 -11.709 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.796 9.272 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.289 11.405 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.199 10.784 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.191 11.104 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.330 11.784 -8.853 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.378 7.475 -8.463 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.288 6.412 -8.049 1.00 0.00 C ATOM 1253 C PHE A 107 -3.677 6.598 -6.580 1.00 0.00 C ATOM 1254 O PHE A 107 -3.083 7.417 -5.879 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.621 5.048 -8.271 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.320 4.746 -9.717 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -3.189 5.143 -10.726 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -1.167 4.065 -10.067 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -2.910 4.865 -12.050 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -0.884 3.783 -11.390 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.757 4.183 -12.383 1.00 0.00 C ATOM 0 H PHE A 107 -1.452 7.421 -8.038 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.197 6.456 -8.649 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.693 5.011 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.270 4.268 -7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.094 5.675 -10.472 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.479 3.750 -9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.594 5.181 -12.824 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.019 3.250 -11.647 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.538 3.963 -13.417 1.00 0.00 H new ATOM 1271 N SER A 108 -4.674 5.856 -6.112 1.00 0.00 N ATOM 1272 CA SER A 108 -5.117 5.982 -4.723 1.00 0.00 C ATOM 1273 C SER A 108 -5.693 4.674 -4.184 1.00 0.00 C ATOM 1274 O SER A 108 -6.066 3.780 -4.946 1.00 0.00 O ATOM 1275 CB SER A 108 -6.167 7.091 -4.604 1.00 0.00 C ATOM 1276 OG SER A 108 -7.395 6.699 -5.195 1.00 0.00 O ATOM 0 H SER A 108 -5.187 5.168 -6.663 1.00 0.00 H new ATOM 0 HA SER A 108 -4.241 6.234 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.327 7.333 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.800 7.996 -5.088 1.00 0.00 H new ATOM 0 HG SER A 108 -8.048 7.424 -5.104 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.750 4.573 -2.858 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.293 3.393 -2.188 1.00 0.00 C ATOM 1284 C PHE A 109 -7.002 3.781 -0.886 1.00 0.00 C ATOM 1285 O PHE A 109 -6.502 4.602 -0.114 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.191 2.353 -1.915 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.982 2.885 -1.186 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.917 3.440 -1.885 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.904 2.815 0.197 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.806 3.917 -1.216 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.793 3.290 0.869 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.745 3.842 0.162 1.00 0.00 C ATOM 0 H PHE A 109 -5.424 5.300 -2.222 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.026 2.941 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.618 1.537 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.867 1.930 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.958 3.499 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.721 2.384 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.986 4.348 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.746 3.229 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.877 4.215 0.686 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.177 3.196 -0.655 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.960 3.483 0.546 1.00 0.00 C ATOM 1304 C ALA A 110 -10.009 2.401 0.794 1.00 0.00 C ATOM 1305 O ALA A 110 -10.428 1.708 -0.134 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.635 4.841 0.426 1.00 0.00 C ATOM 0 H ALA A 110 -8.608 2.519 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.276 3.497 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.214 5.040 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.877 5.615 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.298 4.842 -0.439 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.434 2.265 2.045 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.440 1.270 2.411 1.00 0.00 C ATOM 1314 C CYS A 111 -12.087 1.613 3.752 1.00 0.00 C ATOM 1315 O CYS A 111 -11.591 2.462 4.493 1.00 0.00 O ATOM 1316 CB CYS A 111 -10.812 -0.124 2.483 1.00 0.00 C ATOM 1317 SG CYS A 111 -11.995 -1.479 2.283 1.00 0.00 S ATOM 0 H CYS A 111 -10.098 2.831 2.825 1.00 0.00 H new ATOM 0 HA CYS A 111 -12.211 1.276 1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.047 -0.207 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.308 -0.235 3.443 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.369 -2.616 2.357 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.205 0.958 4.053 1.00 0.00 N ATOM 1324 CA GLY A 112 -13.898 1.199 5.310 1.00 0.00 C ATOM 1325 C GLY A 112 -14.824 2.404 5.265 1.00 0.00 C ATOM 1326 O GLY A 112 -16.040 2.258 5.152 1.00 0.00 O ATOM 0 H GLY A 112 -13.645 0.264 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -14.477 0.314 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.162 1.345 6.101 1.00 0.00 H new ATOM 1330 N MET A 113 -14.246 3.597 5.355 1.00 0.00 N ATOM 1331 CA MET A 113 -15.027 4.831 5.333 1.00 0.00 C ATOM 1332 C MET A 113 -14.498 5.807 4.283 1.00 0.00 C ATOM 1333 O MET A 113 -13.316 5.787 3.939 1.00 0.00 O ATOM 1334 CB MET A 113 -15.010 5.493 6.713 1.00 0.00 C ATOM 1335 CG MET A 113 -16.330 5.378 7.461 1.00 0.00 C ATOM 1336 SD MET A 113 -17.693 6.169 6.585 1.00 0.00 S ATOM 1337 CE MET A 113 -18.841 4.802 6.442 1.00 0.00 C ATOM 0 H MET A 113 -13.240 3.737 5.444 1.00 0.00 H new ATOM 0 HA MET A 113 -16.052 4.571 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 113 -14.221 5.041 7.314 1.00 0.00 H new ATOM 0 HB3 MET A 113 -14.758 6.547 6.598 1.00 0.00 H new ATOM 0 HG2 MET A 113 -16.565 4.325 7.616 1.00 0.00 H new ATOM 0 HG3 MET A 113 -16.225 5.830 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 113 -19.739 5.134 5.920 1.00 0.00 H new ATOM 0 HE2 MET A 113 -18.374 3.992 5.882 1.00 0.00 H new ATOM 0 HE3 MET A 113 -19.110 4.447 7.437 1.00 0.00 H new ATOM 1347 N ASN A 114 -15.377 6.675 3.789 1.00 0.00 N ATOM 1348 CA ASN A 114 -15.002 7.661 2.774 1.00 0.00 C ATOM 1349 C ASN A 114 -14.369 8.907 3.408 1.00 0.00 C ATOM 1350 O ASN A 114 -14.812 10.032 3.170 1.00 0.00 O ATOM 1351 CB ASN A 114 -16.230 8.057 1.947 1.00 0.00 C ATOM 1352 CG ASN A 114 -15.881 8.377 0.507 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -16.061 7.554 -0.385 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -15.380 9.577 0.271 1.00 0.00 N ATOM 0 H ASN A 114 -16.355 6.717 4.074 1.00 0.00 H new ATOM 0 HA ASN A 114 -14.259 7.204 2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.957 7.245 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.707 8.924 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.128 9.846 -0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -15.245 10.234 1.040 1.00 0.00 H new ATOM 1361 N MET A 115 -13.327 8.696 4.206 1.00 0.00 N ATOM 1362 CA MET A 115 -12.630 9.796 4.872 1.00 0.00 C ATOM 1363 C MET A 115 -11.128 9.734 4.586 1.00 0.00 C ATOM 1364 O MET A 115 -10.654 10.273 3.582 1.00 0.00 O ATOM 1365 CB MET A 115 -12.887 9.749 6.383 1.00 0.00 C ATOM 1366 CG MET A 115 -14.111 10.541 6.819 1.00 0.00 C ATOM 1367 SD MET A 115 -15.594 9.522 6.923 1.00 0.00 S ATOM 1368 CE MET A 115 -15.624 9.144 8.674 1.00 0.00 C ATOM 0 H MET A 115 -12.945 7.772 4.409 1.00 0.00 H new ATOM 0 HA MET A 115 -13.016 10.737 4.480 1.00 0.00 H new ATOM 0 HB2 MET A 115 -13.009 8.710 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 115 -12.011 10.135 6.904 1.00 0.00 H new ATOM 0 HG2 MET A 115 -13.918 10.996 7.791 1.00 0.00 H new ATOM 0 HG3 MET A 115 -14.282 11.355 6.115 1.00 0.00 H new ATOM 0 HE1 MET A 115 -16.488 8.517 8.896 1.00 0.00 H new ATOM 0 HE2 MET A 115 -14.711 8.614 8.948 1.00 0.00 H new ATOM 0 HE3 MET A 115 -15.691 10.070 9.245 1.00 0.00 H new ATOM 1378 N MET A 116 -10.381 9.072 5.469 1.00 0.00 N ATOM 1379 CA MET A 116 -8.937 8.937 5.296 1.00 0.00 C ATOM 1380 C MET A 116 -8.628 8.037 4.096 1.00 0.00 C ATOM 1381 O MET A 116 -9.330 7.057 3.841 1.00 0.00 O ATOM 1382 CB MET A 116 -8.286 8.400 6.583 1.00 0.00 C ATOM 1383 CG MET A 116 -8.093 6.889 6.617 1.00 0.00 C ATOM 1384 SD MET A 116 -9.556 6.011 7.197 1.00 0.00 S ATOM 1385 CE MET A 116 -9.501 4.552 6.163 1.00 0.00 C ATOM 0 H MET A 116 -10.751 8.623 6.307 1.00 0.00 H new ATOM 0 HA MET A 116 -8.513 9.921 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.315 8.879 6.710 1.00 0.00 H new ATOM 0 HB3 MET A 116 -8.900 8.693 7.434 1.00 0.00 H new ATOM 0 HG2 MET A 116 -7.836 6.538 5.618 1.00 0.00 H new ATOM 0 HG3 MET A 116 -7.250 6.649 7.265 1.00 0.00 H new ATOM 0 HE1 MET A 116 -10.345 3.905 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 116 -9.555 4.847 5.115 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.570 4.015 6.341 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.591 8.386 3.346 1.00 0.00 N ATOM 1396 CA HIS A 117 -7.216 7.610 2.168 1.00 0.00 C ATOM 1397 C HIS A 117 -5.737 7.783 1.832 1.00 0.00 C ATOM 1398 O HIS A 117 -5.114 8.769 2.224 1.00 0.00 O ATOM 1399 CB HIS A 117 -8.085 8.010 0.965 1.00 0.00 C ATOM 1400 CG HIS A 117 -8.127 9.486 0.686 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -8.959 10.362 1.360 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -7.434 10.240 -0.203 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -8.775 11.585 0.895 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -7.857 11.538 -0.052 1.00 0.00 N ATOM 0 H HIS A 117 -6.997 9.195 3.529 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.386 6.558 2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.713 7.497 0.078 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -9.102 7.657 1.135 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.612 10.104 2.100 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.689 9.886 -0.900 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.289 12.473 1.233 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.188 6.821 1.101 1.00 0.00 N ATOM 1413 CA GLY A 118 -3.791 6.879 0.719 1.00 0.00 C ATOM 1414 C GLY A 118 -3.605 7.116 -0.769 1.00 0.00 C ATOM 1415 O GLY A 118 -4.406 6.650 -1.582 1.00 0.00 O ATOM 0 H GLY A 118 -5.688 5.998 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.298 7.677 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.302 5.946 0.999 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.556 7.842 -1.126 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.270 8.137 -2.527 1.00 0.00 C ATOM 1421 C LYS A 119 -0.999 7.424 -2.991 1.00 0.00 C ATOM 1422 O LYS A 119 -0.083 7.188 -2.205 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.132 9.646 -2.732 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.607 10.128 -4.094 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.834 11.022 -3.976 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.448 12.463 -3.672 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.933 13.400 -4.723 1.00 0.00 N ATOM 0 H LYS A 119 -1.887 8.239 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.103 7.771 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.699 10.162 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.087 9.926 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.804 10.675 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.841 9.269 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.403 10.985 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.486 10.645 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.862 12.754 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.364 12.539 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.106 14.335 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.215 13.485 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.817 13.035 -5.132 1.00 0.00 H new ATOM 1441 N MET A 120 -0.955 7.084 -4.272 1.00 0.00 N ATOM 1442 CA MET A 120 0.195 6.396 -4.849 1.00 0.00 C ATOM 1443 C MET A 120 0.642 7.069 -6.146 1.00 0.00 C ATOM 1444 O MET A 120 -0.119 7.148 -7.108 1.00 0.00 O ATOM 1445 CB MET A 120 -0.159 4.932 -5.119 1.00 0.00 C ATOM 1446 CG MET A 120 1.047 4.044 -5.362 1.00 0.00 C ATOM 1447 SD MET A 120 0.783 2.361 -4.775 1.00 0.00 S ATOM 1448 CE MET A 120 -0.049 1.654 -6.185 1.00 0.00 C ATOM 0 H MET A 120 -1.706 7.274 -4.936 1.00 0.00 H new ATOM 0 HA MET A 120 1.018 6.447 -4.136 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.721 4.541 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.816 4.881 -5.987 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.272 4.024 -6.428 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.916 4.470 -4.861 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.728 0.870 -5.851 1.00 0.00 H new ATOM 0 HE2 MET A 120 -0.616 2.430 -6.700 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.688 1.230 -6.867 1.00 0.00 H new ATOM 1458 N ILE A 121 1.875 7.549 -6.176 1.00 0.00 N ATOM 1459 CA ILE A 121 2.398 8.213 -7.367 1.00 0.00 C ATOM 1460 C ILE A 121 3.416 7.323 -8.082 1.00 0.00 C ATOM 1461 O ILE A 121 4.471 6.999 -7.535 1.00 0.00 O ATOM 1462 CB ILE A 121 3.041 9.579 -7.031 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.989 10.538 -6.462 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.685 10.190 -8.270 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.926 10.548 -4.951 1.00 0.00 C ATOM 0 H ILE A 121 2.531 7.494 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 121 1.551 8.393 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 121 3.815 9.416 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.203 11.547 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.010 10.264 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.131 11.150 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.458 9.520 -8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.927 10.337 -9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.159 11.250 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.681 9.549 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.892 10.852 -4.549 1.00 0.00 H new ATOM 1477 N VAL A 122 3.083 6.929 -9.306 1.00 0.00 N ATOM 1478 CA VAL A 122 3.959 6.073 -10.098 1.00 0.00 C ATOM 1479 C VAL A 122 4.730 6.885 -11.140 1.00 0.00 C ATOM 1480 O VAL A 122 4.139 7.532 -12.005 1.00 0.00 O ATOM 1481 CB VAL A 122 3.156 4.956 -10.799 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.062 4.097 -11.670 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.432 4.097 -9.772 1.00 0.00 C ATOM 0 H VAL A 122 2.213 7.188 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 122 4.673 5.617 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 122 2.414 5.426 -11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.471 3.318 -12.152 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.532 4.720 -12.431 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.833 3.637 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.871 3.315 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.160 3.642 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.746 4.719 -9.196 1.00 0.00 H new ATOM 1493 N GLU A 123 6.056 6.842 -11.055 1.00 0.00 N ATOM 1494 CA GLU A 123 6.912 7.580 -11.986 1.00 0.00 C ATOM 1495 C GLU A 123 7.248 6.742 -13.222 1.00 0.00 C ATOM 1496 O GLU A 123 8.082 5.816 -13.099 1.00 0.00 O ATOM 1497 CB GLU A 123 8.199 8.019 -11.284 1.00 0.00 C ATOM 1498 CG GLU A 123 8.174 9.465 -10.811 1.00 0.00 C ATOM 1499 CD GLU A 123 9.542 9.965 -10.382 1.00 0.00 C ATOM 1500 OE1 GLU A 123 10.455 9.993 -11.233 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.696 10.329 -9.198 1.00 0.00 O ATOM 0 H GLU A 123 6.564 6.305 -10.352 1.00 0.00 H new ATOM 0 HA GLU A 123 6.363 8.462 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.375 7.369 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.039 7.883 -11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.795 10.099 -11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.479 9.558 -9.976 1.00 0.00 H new TER 1508 GLU A 123