USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 839 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 97 THR OG1 : rot 89:sc= 2.02 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 144:sc= 0.827 (180deg=0.733) USER MOD Set 2.1: A 73 TYR OH : rot 16:sc= 1.22 USER MOD Set 2.2: A 83 THR OG1 : rot 135:sc= 0.999 USER MOD Set 3.1: A 60 LYS NZ :NH3+ 151:sc= 2.28 (180deg=1.16) USER MOD Set 3.2: A 72 GLN : amide:sc= 0.252 K(o=3.9,f=3.4) USER MOD Set 3.3: A 74 ASN : amide:sc= 1.01 K(o=3.9,f=-3.3) USER MOD Set 3.4: A 89 SER OG : rot 180:sc= 0.388 USER MOD Set 4.1: A 47 ASN : amide:sc= -0.0756 K(o=-0.076,f=-1.8!) USER MOD Set 4.2: A 64 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 42 GLN : amide:sc= 0.642 K(o=1.2,f=0.28) USER MOD Set 5.2: A 44 SER OG : rot 180:sc= 0.583 USER MOD Set 6.1: A 41 SER OG : rot 139:sc= 1.09 USER MOD Set 6.2: A 43 TYR OH : rot -119:sc= -0.83 USER MOD Set 6.3: A 53 THR OG1 : rot -169:sc= 0.489 USER MOD Set 7.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 50 LYS NZ :NH3+ 179:sc= 1.68 (180deg=1.65) USER MOD Set 8.1: A 14 ASN : amide:sc= 1.04 K(o=2.8,f=0.68) USER MOD Set 8.2: A 29 ASN : amide:sc= 1.8 K(o=2.8,f=-0.18) USER MOD Set 9.1: A 12 THR OG1 : rot -78:sc= 1.93 USER MOD Set 9.2: A 15 SER OG : rot 111:sc= 1.85 USER MOD Set10.1: A 7 THR OG1 : rot -72:sc= 0.604 USER MOD Set10.2: A 8 ASN : amide:sc= 0.139 K(o=0.74,f=-3.4) USER MOD Set11.1: A 6 ASN : amide:sc= 0.779 K(o=1.2,f=-12!) USER MOD Set11.2: A 9 SER OG : rot 84:sc= 0.46 USER MOD Single : A 1 ASP N :NH3+ 136:sc= 0.0223 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -49:sc= 2.15 USER MOD Single : A 10 GLN : amide:sc= -0.828 K(o=-0.83,f=-2.2) USER MOD Single : A 16 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.915) USER MOD Single : A 20 SER OG : rot 80:sc= 1.31 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 71:sc= 1.94 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 66:sc= 1.31 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= 1.33 (180deg=0.754) USER MOD Single : A 51 SER OG : rot 60:sc= 1.77 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.078) USER MOD Single : A 61 SER OG : rot 63:sc= 1.63 USER MOD Single : A 62 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.78) USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.65 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 65:sc= 1.49 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -120:sc= 0.998 USER MOD Single : A 81 SER OG : rot 62:sc= 1.93 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 86 THR OG1 : rot 14:sc= 1.31 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 3:sc= 0.616 USER MOD Single : A 106 THR OG1 : rot -43:sc= 0.655 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 6.326 -12.093 -2.498 1.00 0.00 N ATOM 2 CA ASP A 1 6.301 -10.655 -2.148 1.00 0.00 C ATOM 3 C ASP A 1 6.021 -9.789 -3.384 1.00 0.00 C ATOM 4 O ASP A 1 6.423 -10.132 -4.499 1.00 0.00 O ATOM 5 CB ASP A 1 7.609 -10.199 -1.472 1.00 0.00 C ATOM 6 CG ASP A 1 7.578 -8.681 -1.310 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.665 -8.174 -0.621 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.301 -7.972 -2.040 1.00 0.00 O ATOM 0 H1 ASP A 1 7.134 -12.550 -2.029 1.00 0.00 H new ATOM 0 H2 ASP A 1 5.443 -12.542 -2.183 1.00 0.00 H new ATOM 0 H3 ASP A 1 6.419 -12.198 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 1 5.490 -10.523 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.719 -10.680 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.468 -10.497 -2.073 1.00 0.00 H new ATOM 15 N GLY A 2 5.356 -8.646 -3.178 1.00 0.00 N ATOM 16 CA GLY A 2 5.178 -7.590 -4.168 1.00 0.00 C ATOM 17 C GLY A 2 5.215 -6.210 -3.503 1.00 0.00 C ATOM 18 O GLY A 2 4.539 -5.295 -3.975 1.00 0.00 O ATOM 0 H GLY A 2 4.914 -8.428 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.962 -7.656 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.227 -7.725 -4.684 1.00 0.00 H new ATOM 22 N THR A 3 5.950 -6.060 -2.391 1.00 0.00 N ATOM 23 CA THR A 3 5.917 -4.876 -1.535 1.00 0.00 C ATOM 24 C THR A 3 7.313 -4.430 -1.065 1.00 0.00 C ATOM 25 O THR A 3 7.443 -3.324 -0.536 1.00 0.00 O ATOM 26 CB THR A 3 4.979 -5.129 -0.335 1.00 0.00 C ATOM 27 OG1 THR A 3 5.443 -6.169 0.505 1.00 0.00 O ATOM 28 CG2 THR A 3 3.532 -5.449 -0.728 1.00 0.00 C ATOM 0 H THR A 3 6.596 -6.776 -2.059 1.00 0.00 H new ATOM 0 HA THR A 3 5.529 -4.052 -2.133 1.00 0.00 H new ATOM 0 HB THR A 3 4.989 -4.180 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.675 -6.950 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.939 -5.613 0.171 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.115 -4.614 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.513 -6.348 -1.345 1.00 0.00 H new ATOM 36 N CYS A 4 8.364 -5.240 -1.250 1.00 0.00 N ATOM 37 CA CYS A 4 9.738 -4.820 -1.007 1.00 0.00 C ATOM 38 C CYS A 4 10.075 -3.614 -1.893 1.00 0.00 C ATOM 39 O CYS A 4 9.609 -3.516 -3.033 1.00 0.00 O ATOM 40 CB CYS A 4 10.698 -5.979 -1.311 1.00 0.00 C ATOM 41 SG CYS A 4 12.429 -5.710 -0.834 1.00 0.00 S ATOM 0 H CYS A 4 8.279 -6.204 -1.573 1.00 0.00 H new ATOM 0 HA CYS A 4 9.847 -4.535 0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 4 10.334 -6.871 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 4 10.663 -6.185 -2.381 1.00 0.00 H new ATOM 46 N VAL A 5 10.953 -2.744 -1.399 1.00 0.00 N ATOM 47 CA VAL A 5 11.478 -1.581 -2.099 1.00 0.00 C ATOM 48 C VAL A 5 13.000 -1.762 -2.109 1.00 0.00 C ATOM 49 O VAL A 5 13.751 -1.050 -1.440 1.00 0.00 O ATOM 50 CB VAL A 5 10.957 -0.273 -1.455 1.00 0.00 C ATOM 51 CG1 VAL A 5 11.320 0.950 -2.313 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.428 -0.278 -1.268 1.00 0.00 C ATOM 0 H VAL A 5 11.333 -2.838 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 5 11.135 -1.497 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 5 11.438 -0.213 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.941 1.854 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.404 1.017 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.873 0.847 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.114 0.661 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.943 -0.391 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.143 -1.108 -0.621 1.00 0.00 H new ATOM 62 N ASN A 6 13.450 -2.809 -2.808 1.00 0.00 N ATOM 63 CA ASN A 6 14.867 -3.013 -3.086 1.00 0.00 C ATOM 64 C ASN A 6 15.323 -1.998 -4.140 1.00 0.00 C ATOM 65 O ASN A 6 14.518 -1.496 -4.930 1.00 0.00 O ATOM 66 CB ASN A 6 15.132 -4.458 -3.552 1.00 0.00 C ATOM 67 CG ASN A 6 16.623 -4.784 -3.630 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.451 -4.087 -3.053 1.00 0.00 O ATOM 69 ND2 ASN A 6 17.011 -5.831 -4.336 1.00 0.00 N ATOM 0 H ASN A 6 12.843 -3.532 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 6 15.441 -2.858 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.647 -5.152 -2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.679 -4.609 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 6 18.002 -6.062 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.319 -6.408 -4.814 1.00 0.00 H new ATOM 76 N THR A 7 16.623 -1.735 -4.179 1.00 0.00 N ATOM 77 CA THR A 7 17.295 -0.844 -5.109 1.00 0.00 C ATOM 78 C THR A 7 18.371 -1.664 -5.829 1.00 0.00 C ATOM 79 O THR A 7 18.251 -1.956 -7.021 1.00 0.00 O ATOM 80 CB THR A 7 17.881 0.335 -4.306 1.00 0.00 C ATOM 81 OG1 THR A 7 18.609 -0.137 -3.195 1.00 0.00 O ATOM 82 CG2 THR A 7 16.802 1.256 -3.755 1.00 0.00 C ATOM 0 H THR A 7 17.273 -2.165 -3.521 1.00 0.00 H new ATOM 0 HA THR A 7 16.623 -0.427 -5.859 1.00 0.00 H new ATOM 0 HB THR A 7 18.515 0.882 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.989 -0.489 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.267 2.069 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.219 1.668 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.145 0.692 -3.093 1.00 0.00 H new ATOM 90 N ASN A 8 19.379 -2.095 -5.067 1.00 0.00 N ATOM 91 CA ASN A 8 20.521 -2.898 -5.514 1.00 0.00 C ATOM 92 C ASN A 8 21.052 -3.837 -4.416 1.00 0.00 C ATOM 93 O ASN A 8 22.179 -4.328 -4.515 1.00 0.00 O ATOM 94 CB ASN A 8 21.646 -1.982 -6.040 1.00 0.00 C ATOM 95 CG ASN A 8 22.428 -1.273 -4.934 1.00 0.00 C ATOM 96 OD1 ASN A 8 21.905 -0.988 -3.862 1.00 0.00 O ATOM 97 ND2 ASN A 8 23.693 -0.963 -5.170 1.00 0.00 N ATOM 0 H ASN A 8 19.423 -1.883 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 8 20.168 -3.534 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 8 22.337 -2.576 -6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.213 -1.234 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 8 24.242 -0.483 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.119 -1.204 -6.065 1.00 0.00 H new ATOM 104 N SER A 9 20.272 -4.085 -3.362 1.00 0.00 N ATOM 105 CA SER A 9 20.575 -5.101 -2.355 1.00 0.00 C ATOM 106 C SER A 9 20.424 -6.501 -2.944 1.00 0.00 C ATOM 107 O SER A 9 19.823 -6.674 -4.011 1.00 0.00 O ATOM 108 CB SER A 9 19.618 -4.971 -1.165 1.00 0.00 C ATOM 109 OG SER A 9 19.484 -3.613 -0.800 1.00 0.00 O ATOM 0 H SER A 9 19.404 -3.580 -3.183 1.00 0.00 H new ATOM 0 HA SER A 9 21.603 -4.949 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.643 -5.384 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.994 -5.548 -0.320 1.00 0.00 H new ATOM 0 HG SER A 9 18.804 -3.188 -1.364 1.00 0.00 H new ATOM 115 N GLN A 10 20.879 -7.503 -2.190 1.00 0.00 N ATOM 116 CA GLN A 10 20.626 -8.909 -2.493 1.00 0.00 C ATOM 117 C GLN A 10 19.831 -9.525 -1.345 1.00 0.00 C ATOM 118 O GLN A 10 20.116 -9.256 -0.174 1.00 0.00 O ATOM 119 CB GLN A 10 21.935 -9.648 -2.851 1.00 0.00 C ATOM 120 CG GLN A 10 22.736 -10.313 -1.716 1.00 0.00 C ATOM 121 CD GLN A 10 22.090 -11.558 -1.100 1.00 0.00 C ATOM 122 OE1 GLN A 10 21.269 -12.234 -1.710 1.00 0.00 O ATOM 123 NE2 GLN A 10 22.423 -11.865 0.141 1.00 0.00 N ATOM 0 H GLN A 10 21.436 -7.359 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 10 20.012 -9.008 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 10 21.691 -10.420 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.593 -8.935 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.719 -10.586 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.895 -9.578 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.107 -11.297 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.996 -12.670 0.599 1.00 0.00 H new ATOM 132 N ILE A 11 18.862 -10.373 -1.691 1.00 0.00 N ATOM 133 CA ILE A 11 18.019 -11.098 -0.758 1.00 0.00 C ATOM 134 C ILE A 11 18.068 -12.558 -1.214 1.00 0.00 C ATOM 135 O ILE A 11 17.678 -12.860 -2.346 1.00 0.00 O ATOM 136 CB ILE A 11 16.584 -10.500 -0.717 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.557 -8.974 -0.439 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.761 -11.210 0.373 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.521 -8.102 -1.701 1.00 0.00 C ATOM 0 H ILE A 11 18.640 -10.577 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 11 18.368 -11.019 0.272 1.00 0.00 H new ATOM 0 HB ILE A 11 16.158 -10.659 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.685 -8.743 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.437 -8.708 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.755 -10.790 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.703 -12.275 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.241 -11.068 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.504 -7.050 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.406 -8.300 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.627 -8.336 -2.279 1.00 0.00 H new ATOM 151 N THR A 12 18.603 -13.442 -0.365 1.00 0.00 N ATOM 152 CA THR A 12 18.735 -14.865 -0.704 1.00 0.00 C ATOM 153 C THR A 12 17.359 -15.529 -0.895 1.00 0.00 C ATOM 154 O THR A 12 16.332 -15.013 -0.446 1.00 0.00 O ATOM 155 CB THR A 12 19.603 -15.618 0.326 1.00 0.00 C ATOM 156 OG1 THR A 12 19.346 -15.179 1.643 1.00 0.00 O ATOM 157 CG2 THR A 12 21.098 -15.450 0.060 1.00 0.00 C ATOM 0 H THR A 12 18.952 -13.198 0.562 1.00 0.00 H new ATOM 0 HA THR A 12 19.255 -14.926 -1.660 1.00 0.00 H new ATOM 0 HB THR A 12 19.332 -16.669 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.800 -14.324 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.665 -15.999 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.337 -15.838 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.360 -14.393 0.108 1.00 0.00 H new ATOM 165 N ALA A 13 17.339 -16.701 -1.543 1.00 0.00 N ATOM 166 CA ALA A 13 16.122 -17.385 -1.980 1.00 0.00 C ATOM 167 C ALA A 13 15.126 -17.692 -0.853 1.00 0.00 C ATOM 168 O ALA A 13 13.925 -17.768 -1.119 1.00 0.00 O ATOM 169 CB ALA A 13 16.518 -18.693 -2.672 1.00 0.00 C ATOM 0 H ALA A 13 18.190 -17.209 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 13 15.608 -16.702 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.621 -19.215 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.149 -18.473 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.067 -19.323 -1.972 1.00 0.00 H new ATOM 175 N ASN A 14 15.605 -17.878 0.384 1.00 0.00 N ATOM 176 CA ASN A 14 14.759 -18.224 1.535 1.00 0.00 C ATOM 177 C ASN A 14 14.627 -17.059 2.525 1.00 0.00 C ATOM 178 O ASN A 14 13.879 -17.152 3.500 1.00 0.00 O ATOM 179 CB ASN A 14 15.294 -19.484 2.234 1.00 0.00 C ATOM 180 CG ASN A 14 14.256 -20.068 3.194 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.143 -20.399 2.792 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.582 -20.232 4.463 1.00 0.00 N ATOM 0 H ASN A 14 16.595 -17.792 0.616 1.00 0.00 H new ATOM 0 HA ASN A 14 13.758 -18.433 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.563 -20.231 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.204 -19.240 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.909 -20.635 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.507 -19.956 4.792 1.00 0.00 H new ATOM 189 N SER A 15 15.343 -15.960 2.284 1.00 0.00 N ATOM 190 CA SER A 15 15.158 -14.711 3.004 1.00 0.00 C ATOM 191 C SER A 15 13.841 -14.053 2.581 1.00 0.00 C ATOM 192 O SER A 15 13.198 -14.500 1.625 1.00 0.00 O ATOM 193 CB SER A 15 16.348 -13.809 2.701 1.00 0.00 C ATOM 194 OG SER A 15 17.493 -14.340 3.327 1.00 0.00 O ATOM 0 H SER A 15 16.074 -15.917 1.574 1.00 0.00 H new ATOM 0 HA SER A 15 15.104 -14.891 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.505 -13.740 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.156 -12.798 3.061 1.00 0.00 H new ATOM 0 HG SER A 15 18.113 -14.675 2.646 1.00 0.00 H new ATOM 200 N GLN A 16 13.424 -12.983 3.266 1.00 0.00 N ATOM 201 CA GLN A 16 12.186 -12.272 2.967 1.00 0.00 C ATOM 202 C GLN A 16 12.427 -10.772 3.092 1.00 0.00 C ATOM 203 O GLN A 16 13.134 -10.325 3.996 1.00 0.00 O ATOM 204 CB GLN A 16 11.072 -12.693 3.947 1.00 0.00 C ATOM 205 CG GLN A 16 10.617 -14.161 3.850 1.00 0.00 C ATOM 206 CD GLN A 16 9.774 -14.437 2.602 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.548 -14.354 2.629 1.00 0.00 O ATOM 208 NE2 GLN A 16 10.395 -14.764 1.481 1.00 0.00 N ATOM 0 H GLN A 16 13.944 -12.586 4.049 1.00 0.00 H new ATOM 0 HA GLN A 16 11.873 -12.518 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.418 -12.505 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.206 -12.052 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.493 -14.809 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.039 -14.417 4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.413 -14.832 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.856 -14.948 0.635 1.00 0.00 H new ATOM 217 N CYS A 17 11.780 -10.009 2.214 1.00 0.00 N ATOM 218 CA CYS A 17 11.675 -8.563 2.266 1.00 0.00 C ATOM 219 C CYS A 17 10.202 -8.272 1.995 1.00 0.00 C ATOM 220 O CYS A 17 9.697 -8.707 0.958 1.00 0.00 O ATOM 221 CB CYS A 17 12.579 -7.909 1.218 1.00 0.00 C ATOM 222 SG CYS A 17 12.443 -6.100 1.162 1.00 0.00 S ATOM 0 H CYS A 17 11.293 -10.407 1.411 1.00 0.00 H new ATOM 0 HA CYS A 17 11.998 -8.158 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.614 -8.180 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.333 -8.313 0.236 1.00 0.00 H new ATOM 227 N VAL A 18 9.499 -7.603 2.914 1.00 0.00 N ATOM 228 CA VAL A 18 8.058 -7.354 2.797 1.00 0.00 C ATOM 229 C VAL A 18 7.788 -5.964 3.369 1.00 0.00 C ATOM 230 O VAL A 18 8.246 -5.658 4.473 1.00 0.00 O ATOM 231 CB VAL A 18 7.238 -8.444 3.536 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.750 -8.354 3.167 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.691 -9.886 3.238 1.00 0.00 C ATOM 0 H VAL A 18 9.914 -7.218 3.762 1.00 0.00 H new ATOM 0 HA VAL A 18 7.747 -7.396 1.753 1.00 0.00 H new ATOM 0 HB VAL A 18 7.408 -8.241 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.196 -9.128 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.364 -7.374 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.632 -8.495 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.067 -10.586 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.596 -10.084 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.731 -10.010 3.539 1.00 0.00 H new ATOM 243 N LYS A 19 7.064 -5.125 2.616 1.00 0.00 N ATOM 244 CA LYS A 19 6.792 -3.704 2.879 1.00 0.00 C ATOM 245 C LYS A 19 7.956 -2.981 3.568 1.00 0.00 C ATOM 246 O LYS A 19 7.749 -2.260 4.541 1.00 0.00 O ATOM 247 CB LYS A 19 5.421 -3.504 3.564 1.00 0.00 C ATOM 248 CG LYS A 19 5.188 -4.350 4.826 1.00 0.00 C ATOM 249 CD LYS A 19 4.049 -3.777 5.685 1.00 0.00 C ATOM 250 CE LYS A 19 3.591 -4.794 6.741 1.00 0.00 C ATOM 251 NZ LYS A 19 2.801 -4.160 7.827 1.00 0.00 N ATOM 0 H LYS A 19 6.624 -5.440 1.751 1.00 0.00 H new ATOM 0 HA LYS A 19 6.715 -3.208 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.315 -2.452 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.636 -3.733 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.950 -5.374 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.105 -4.389 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.383 -2.863 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.208 -3.506 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.991 -5.567 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.463 -5.288 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.104 -4.840 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.438 -3.871 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.307 -3.324 7.454 1.00 0.00 H new ATOM 265 N SER A 20 9.179 -3.201 3.085 1.00 0.00 N ATOM 266 CA SER A 20 10.424 -2.734 3.684 1.00 0.00 C ATOM 267 C SER A 20 11.354 -2.277 2.565 1.00 0.00 C ATOM 268 O SER A 20 11.164 -2.664 1.408 1.00 0.00 O ATOM 269 CB SER A 20 11.042 -3.877 4.494 1.00 0.00 C ATOM 270 OG SER A 20 10.212 -4.157 5.602 1.00 0.00 O ATOM 0 H SER A 20 9.333 -3.733 2.228 1.00 0.00 H new ATOM 0 HA SER A 20 10.249 -1.895 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.150 -4.765 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.041 -3.602 4.832 1.00 0.00 H new ATOM 0 HG SER A 20 9.452 -4.703 5.311 1.00 0.00 H new ATOM 276 N THR A 21 12.358 -1.466 2.895 1.00 0.00 N ATOM 277 CA THR A 21 13.222 -0.810 1.917 1.00 0.00 C ATOM 278 C THR A 21 14.649 -1.312 2.127 1.00 0.00 C ATOM 279 O THR A 21 15.078 -1.502 3.269 1.00 0.00 O ATOM 280 CB THR A 21 13.103 0.718 2.076 1.00 0.00 C ATOM 281 OG1 THR A 21 11.741 1.114 2.062 1.00 0.00 O ATOM 282 CG2 THR A 21 13.823 1.501 0.974 1.00 0.00 C ATOM 0 H THR A 21 12.597 -1.244 3.861 1.00 0.00 H new ATOM 0 HA THR A 21 12.924 -1.050 0.896 1.00 0.00 H new ATOM 0 HB THR A 21 13.576 0.949 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.682 2.087 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.699 2.570 1.147 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.884 1.252 0.985 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.399 1.239 0.005 1.00 0.00 H new ATOM 290 N ALA A 22 15.389 -1.527 1.040 1.00 0.00 N ATOM 291 CA ALA A 22 16.712 -2.119 1.102 1.00 0.00 C ATOM 292 C ALA A 22 17.643 -1.384 0.149 1.00 0.00 C ATOM 293 O ALA A 22 17.366 -1.308 -1.054 1.00 0.00 O ATOM 294 CB ALA A 22 16.615 -3.617 0.782 1.00 0.00 C ATOM 0 H ALA A 22 15.083 -1.294 0.095 1.00 0.00 H new ATOM 0 HA ALA A 22 17.127 -2.022 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.608 -4.064 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.964 -4.103 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.204 -3.749 -0.219 1.00 0.00 H new ATOM 300 N THR A 23 18.751 -0.880 0.690 1.00 0.00 N ATOM 301 CA THR A 23 19.774 -0.156 -0.054 1.00 0.00 C ATOM 302 C THR A 23 21.115 -0.878 0.108 1.00 0.00 C ATOM 303 O THR A 23 21.696 -0.858 1.192 1.00 0.00 O ATOM 304 CB THR A 23 19.811 1.313 0.409 1.00 0.00 C ATOM 305 OG1 THR A 23 18.505 1.860 0.501 1.00 0.00 O ATOM 306 CG2 THR A 23 20.622 2.183 -0.557 1.00 0.00 C ATOM 0 H THR A 23 18.965 -0.967 1.683 1.00 0.00 H new ATOM 0 HA THR A 23 19.544 -0.139 -1.119 1.00 0.00 H new ATOM 0 HB THR A 23 20.282 1.313 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.561 2.792 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.628 3.213 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.645 1.811 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.170 2.144 -1.548 1.00 0.00 H new ATOM 314 N ASN A 24 21.624 -1.493 -0.966 1.00 0.00 N ATOM 315 CA ASN A 24 22.872 -2.265 -1.013 1.00 0.00 C ATOM 316 C ASN A 24 23.078 -3.193 0.200 1.00 0.00 C ATOM 317 O ASN A 24 24.174 -3.264 0.762 1.00 0.00 O ATOM 318 CB ASN A 24 24.065 -1.319 -1.248 1.00 0.00 C ATOM 319 CG ASN A 24 25.341 -2.069 -1.635 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.310 -3.188 -2.143 1.00 0.00 O ATOM 321 ND2 ASN A 24 26.496 -1.455 -1.435 1.00 0.00 N ATOM 0 H ASN A 24 21.154 -1.465 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 24 22.798 -2.948 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.812 -0.609 -2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.248 -0.739 -0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 24 27.369 -1.910 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 24 26.514 -0.527 -1.013 1.00 0.00 H new ATOM 328 N CYS A 25 22.017 -3.861 0.660 1.00 0.00 N ATOM 329 CA CYS A 25 22.075 -4.763 1.804 1.00 0.00 C ATOM 330 C CYS A 25 22.460 -6.155 1.310 1.00 0.00 C ATOM 331 O CYS A 25 22.342 -6.455 0.117 1.00 0.00 O ATOM 332 CB CYS A 25 20.716 -4.818 2.522 1.00 0.00 C ATOM 333 SG CYS A 25 19.923 -3.213 2.796 1.00 0.00 S ATOM 0 H CYS A 25 21.089 -3.788 0.243 1.00 0.00 H new ATOM 0 HA CYS A 25 22.818 -4.399 2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.040 -5.444 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.852 -5.307 3.486 1.00 0.00 H new ATOM 338 N TYR A 26 22.825 -7.037 2.236 1.00 0.00 N ATOM 339 CA TYR A 26 23.045 -8.446 1.957 1.00 0.00 C ATOM 340 C TYR A 26 22.301 -9.223 3.036 1.00 0.00 C ATOM 341 O TYR A 26 22.504 -8.975 4.227 1.00 0.00 O ATOM 342 CB TYR A 26 24.553 -8.730 1.949 1.00 0.00 C ATOM 343 CG TYR A 26 24.938 -10.113 1.455 1.00 0.00 C ATOM 344 CD1 TYR A 26 24.717 -11.248 2.259 1.00 0.00 C ATOM 345 CD2 TYR A 26 25.531 -10.267 0.186 1.00 0.00 C ATOM 346 CE1 TYR A 26 25.097 -12.526 1.809 1.00 0.00 C ATOM 347 CE2 TYR A 26 25.904 -11.541 -0.275 1.00 0.00 C ATOM 348 CZ TYR A 26 25.696 -12.679 0.536 1.00 0.00 C ATOM 349 OH TYR A 26 26.067 -13.908 0.080 1.00 0.00 O ATOM 0 H TYR A 26 22.977 -6.786 3.213 1.00 0.00 H new ATOM 0 HA TYR A 26 22.670 -8.746 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 26 25.045 -7.986 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.938 -8.601 2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 26 24.253 -11.137 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 26 25.700 -9.401 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 26 24.931 -13.390 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.351 -11.651 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 26 26.460 -13.820 -0.813 1.00 0.00 H new ATOM 359 N ILE A 27 21.430 -10.141 2.623 1.00 0.00 N ATOM 360 CA ILE A 27 20.488 -10.817 3.499 1.00 0.00 C ATOM 361 C ILE A 27 20.674 -12.317 3.253 1.00 0.00 C ATOM 362 O ILE A 27 20.484 -12.788 2.126 1.00 0.00 O ATOM 363 CB ILE A 27 19.056 -10.295 3.198 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.966 -8.750 3.266 1.00 0.00 C ATOM 365 CG2 ILE A 27 18.023 -10.934 4.130 1.00 0.00 C ATOM 366 CD1 ILE A 27 17.551 -8.156 3.210 1.00 0.00 C ATOM 0 H ILE A 27 21.361 -10.439 1.650 1.00 0.00 H new ATOM 0 HA ILE A 27 20.656 -10.620 4.558 1.00 0.00 H new ATOM 0 HB ILE A 27 18.827 -10.590 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.442 -8.418 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.546 -8.335 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 27 17.032 -10.548 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 27 18.032 -12.016 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 27 18.269 -10.694 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.610 -7.069 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.071 -8.446 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 27 16.966 -8.531 4.050 1.00 0.00 H new ATOM 378 N ASP A 28 21.073 -13.059 4.288 1.00 0.00 N ATOM 379 CA ASP A 28 21.339 -14.493 4.258 1.00 0.00 C ATOM 380 C ASP A 28 20.400 -15.178 5.245 1.00 0.00 C ATOM 381 O ASP A 28 20.485 -14.927 6.447 1.00 0.00 O ATOM 382 CB ASP A 28 22.800 -14.775 4.628 1.00 0.00 C ATOM 383 CG ASP A 28 23.034 -16.280 4.839 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.755 -17.073 3.913 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.533 -16.675 5.917 1.00 0.00 O ATOM 0 H ASP A 28 21.226 -12.654 5.212 1.00 0.00 H new ATOM 0 HA ASP A 28 21.168 -14.880 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.456 -14.408 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.060 -14.232 5.537 1.00 0.00 H new ATOM 390 N ASN A 29 19.496 -16.018 4.737 1.00 0.00 N ATOM 391 CA ASN A 29 18.424 -16.694 5.479 1.00 0.00 C ATOM 392 C ASN A 29 17.725 -15.801 6.523 1.00 0.00 C ATOM 393 O ASN A 29 17.453 -16.245 7.640 1.00 0.00 O ATOM 394 CB ASN A 29 18.943 -18.011 6.088 1.00 0.00 C ATOM 395 CG ASN A 29 17.783 -18.943 6.433 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.022 -19.325 5.548 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.611 -19.358 7.677 1.00 0.00 N ATOM 0 H ASN A 29 19.490 -16.259 3.746 1.00 0.00 H new ATOM 0 HA ASN A 29 17.643 -16.930 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.614 -18.503 5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.524 -17.798 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.847 -19.995 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.243 -19.041 8.412 1.00 0.00 H new ATOM 404 N SER A 30 17.468 -14.533 6.196 1.00 0.00 N ATOM 405 CA SER A 30 17.010 -13.522 7.144 1.00 0.00 C ATOM 406 C SER A 30 15.747 -12.821 6.646 1.00 0.00 C ATOM 407 O SER A 30 15.380 -12.919 5.475 1.00 0.00 O ATOM 408 CB SER A 30 18.133 -12.513 7.404 1.00 0.00 C ATOM 409 OG SER A 30 19.254 -13.124 7.995 1.00 0.00 O ATOM 0 H SER A 30 17.575 -14.176 5.247 1.00 0.00 H new ATOM 0 HA SER A 30 16.754 -14.016 8.081 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.427 -12.045 6.464 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.766 -11.719 8.054 1.00 0.00 H new ATOM 0 HG SER A 30 19.700 -13.696 7.336 1.00 0.00 H new ATOM 415 N GLN A 31 15.063 -12.105 7.537 1.00 0.00 N ATOM 416 CA GLN A 31 13.771 -11.497 7.256 1.00 0.00 C ATOM 417 C GLN A 31 13.839 -10.009 7.588 1.00 0.00 C ATOM 418 O GLN A 31 14.275 -9.634 8.677 1.00 0.00 O ATOM 419 CB GLN A 31 12.673 -12.208 8.063 1.00 0.00 C ATOM 420 CG GLN A 31 12.536 -13.699 7.713 1.00 0.00 C ATOM 421 CD GLN A 31 11.358 -14.332 8.454 1.00 0.00 C ATOM 422 OE1 GLN A 31 10.218 -14.289 7.997 1.00 0.00 O ATOM 423 NE2 GLN A 31 11.597 -14.930 9.611 1.00 0.00 N ATOM 0 H GLN A 31 15.398 -11.931 8.485 1.00 0.00 H new ATOM 0 HA GLN A 31 13.525 -11.604 6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.891 -12.109 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.720 -11.710 7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.397 -13.812 6.638 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.456 -14.223 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.546 -14.961 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.832 -15.360 10.131 1.00 0.00 H new ATOM 432 N LEU A 32 13.395 -9.181 6.644 1.00 0.00 N ATOM 433 CA LEU A 32 13.369 -7.724 6.723 1.00 0.00 C ATOM 434 C LEU A 32 11.920 -7.324 6.446 1.00 0.00 C ATOM 435 O LEU A 32 11.497 -7.345 5.289 1.00 0.00 O ATOM 436 CB LEU A 32 14.346 -7.171 5.665 1.00 0.00 C ATOM 437 CG LEU A 32 14.433 -5.634 5.628 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.343 -5.104 6.742 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.976 -5.159 4.277 1.00 0.00 C ATOM 0 H LEU A 32 13.025 -9.527 5.759 1.00 0.00 H new ATOM 0 HA LEU A 32 13.680 -7.327 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.340 -7.575 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.041 -7.530 4.682 1.00 0.00 H new ATOM 0 HG LEU A 32 13.425 -5.247 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.385 -4.016 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.946 -5.407 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.346 -5.512 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.031 -4.070 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.972 -5.573 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.313 -5.495 3.480 1.00 0.00 H new ATOM 451 N VAL A 33 11.136 -7.013 7.478 1.00 0.00 N ATOM 452 CA VAL A 33 9.692 -6.857 7.309 1.00 0.00 C ATOM 453 C VAL A 33 9.128 -5.622 8.014 1.00 0.00 C ATOM 454 O VAL A 33 9.749 -5.054 8.915 1.00 0.00 O ATOM 455 CB VAL A 33 8.976 -8.164 7.735 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.370 -9.355 6.844 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.226 -8.557 9.199 1.00 0.00 C ATOM 0 H VAL A 33 11.472 -6.866 8.430 1.00 0.00 H new ATOM 0 HA VAL A 33 9.497 -6.680 6.251 1.00 0.00 H new ATOM 0 HB VAL A 33 7.916 -7.939 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.845 -10.249 7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.100 -9.141 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.445 -9.519 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.693 -9.481 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.294 -8.706 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.868 -7.763 9.855 1.00 0.00 H new ATOM 467 N ASP A 34 7.908 -5.249 7.610 1.00 0.00 N ATOM 468 CA ASP A 34 7.061 -4.249 8.257 1.00 0.00 C ATOM 469 C ASP A 34 7.746 -2.892 8.430 1.00 0.00 C ATOM 470 O ASP A 34 7.949 -2.416 9.541 1.00 0.00 O ATOM 471 CB ASP A 34 6.481 -4.833 9.553 1.00 0.00 C ATOM 472 CG ASP A 34 5.504 -3.882 10.243 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.750 -3.164 9.543 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.481 -3.872 11.494 1.00 0.00 O ATOM 0 H ASP A 34 7.467 -5.657 6.785 1.00 0.00 H new ATOM 0 HA ASP A 34 6.226 -4.021 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.972 -5.770 9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.296 -5.069 10.237 1.00 0.00 H new ATOM 479 N THR A 35 8.092 -2.240 7.324 1.00 0.00 N ATOM 480 CA THR A 35 8.770 -0.963 7.268 1.00 0.00 C ATOM 481 C THR A 35 10.161 -0.983 7.912 1.00 0.00 C ATOM 482 O THR A 35 10.583 -0.015 8.550 1.00 0.00 O ATOM 483 CB THR A 35 7.846 0.159 7.753 1.00 0.00 C ATOM 484 OG1 THR A 35 6.465 -0.112 7.561 1.00 0.00 O ATOM 485 CG2 THR A 35 8.195 1.468 7.049 1.00 0.00 C ATOM 0 H THR A 35 7.893 -2.614 6.396 1.00 0.00 H new ATOM 0 HA THR A 35 8.991 -0.743 6.224 1.00 0.00 H new ATOM 0 HB THR A 35 8.012 0.236 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.934 0.642 7.893 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.532 2.258 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.228 1.736 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.074 1.346 5.973 1.00 0.00 H new ATOM 493 N SER A 36 10.871 -2.104 7.795 1.00 0.00 N ATOM 494 CA SER A 36 12.276 -2.116 8.141 1.00 0.00 C ATOM 495 C SER A 36 12.995 -1.436 6.978 1.00 0.00 C ATOM 496 O SER A 36 12.516 -1.440 5.837 1.00 0.00 O ATOM 497 CB SER A 36 12.781 -3.537 8.351 1.00 0.00 C ATOM 498 OG SER A 36 12.169 -4.091 9.490 1.00 0.00 O ATOM 0 H SER A 36 10.498 -2.996 7.469 1.00 0.00 H new ATOM 0 HA SER A 36 12.459 -1.594 9.080 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.560 -4.146 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.864 -3.535 8.472 1.00 0.00 H new ATOM 0 HG SER A 36 11.209 -4.200 9.325 1.00 0.00 H new ATOM 504 N ILE A 37 14.134 -0.820 7.257 1.00 0.00 N ATOM 505 CA ILE A 37 14.869 -0.044 6.275 1.00 0.00 C ATOM 506 C ILE A 37 16.342 -0.380 6.508 1.00 0.00 C ATOM 507 O ILE A 37 16.838 -0.158 7.616 1.00 0.00 O ATOM 508 CB ILE A 37 14.515 1.464 6.416 1.00 0.00 C ATOM 509 CG1 ILE A 37 13.021 1.731 6.099 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.429 2.322 5.518 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.587 3.198 6.199 1.00 0.00 C ATOM 0 H ILE A 37 14.575 -0.846 8.176 1.00 0.00 H new ATOM 0 HA ILE A 37 14.612 -0.285 5.244 1.00 0.00 H new ATOM 0 HB ILE A 37 14.685 1.749 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.810 1.374 5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.410 1.140 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.166 3.374 5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.469 2.175 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.299 2.025 4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.527 3.281 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.759 3.560 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.166 3.797 5.496 1.00 0.00 H new ATOM 523 N CYS A 38 17.042 -0.916 5.499 1.00 0.00 N ATOM 524 CA CYS A 38 18.443 -1.290 5.633 1.00 0.00 C ATOM 525 C CYS A 38 19.277 -0.519 4.619 1.00 0.00 C ATOM 526 O CYS A 38 18.807 -0.236 3.512 1.00 0.00 O ATOM 527 CB CYS A 38 18.640 -2.809 5.521 1.00 0.00 C ATOM 528 SG CYS A 38 18.276 -3.601 3.935 1.00 0.00 S ATOM 0 H CYS A 38 16.650 -1.099 4.575 1.00 0.00 H new ATOM 0 HA CYS A 38 18.787 -1.019 6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.677 -3.030 5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 38 18.018 -3.283 6.281 1.00 0.00 H new ATOM 533 N THR A 39 20.518 -0.206 4.993 1.00 0.00 N ATOM 534 CA THR A 39 21.454 0.528 4.154 1.00 0.00 C ATOM 535 C THR A 39 22.854 -0.042 4.390 1.00 0.00 C ATOM 536 O THR A 39 23.391 0.091 5.484 1.00 0.00 O ATOM 537 CB THR A 39 21.382 2.034 4.480 1.00 0.00 C ATOM 538 OG1 THR A 39 20.064 2.534 4.345 1.00 0.00 O ATOM 539 CG2 THR A 39 22.282 2.865 3.558 1.00 0.00 C ATOM 0 H THR A 39 20.903 -0.461 5.902 1.00 0.00 H new ATOM 0 HA THR A 39 21.202 0.417 3.099 1.00 0.00 H new ATOM 0 HB THR A 39 21.720 2.126 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.053 3.490 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.200 3.919 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.317 2.542 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 39 21.970 2.726 2.523 1.00 0.00 H new ATOM 547 N ARG A 40 23.460 -0.668 3.375 1.00 0.00 N ATOM 548 CA ARG A 40 24.830 -1.207 3.397 1.00 0.00 C ATOM 549 C ARG A 40 25.059 -2.282 4.479 1.00 0.00 C ATOM 550 O ARG A 40 26.201 -2.650 4.752 1.00 0.00 O ATOM 551 CB ARG A 40 25.827 -0.018 3.404 1.00 0.00 C ATOM 552 CG ARG A 40 27.333 -0.332 3.336 1.00 0.00 C ATOM 553 CD ARG A 40 27.714 -1.358 2.258 1.00 0.00 C ATOM 554 NE ARG A 40 29.136 -1.735 2.342 1.00 0.00 N ATOM 555 CZ ARG A 40 29.666 -2.625 3.194 1.00 0.00 C ATOM 556 NH1 ARG A 40 28.918 -3.216 4.124 1.00 0.00 N ATOM 557 NH2 ARG A 40 30.958 -2.924 3.107 1.00 0.00 N ATOM 0 H ARG A 40 22.994 -0.820 2.480 1.00 0.00 H new ATOM 0 HA ARG A 40 25.013 -1.780 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.583 0.627 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 40 25.648 0.561 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 40 27.878 0.594 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 27.659 -0.704 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.095 -2.248 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.505 -0.944 1.272 1.00 0.00 H new ATOM 0 HE ARG A 40 29.776 -1.277 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.925 -2.994 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.338 -3.890 4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.538 -2.478 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.370 -3.600 3.751 1.00 0.00 H new ATOM 571 N SER A 41 24.003 -2.824 5.078 1.00 0.00 N ATOM 572 CA SER A 41 24.100 -3.726 6.216 1.00 0.00 C ATOM 573 C SER A 41 24.068 -5.198 5.790 1.00 0.00 C ATOM 574 O SER A 41 23.688 -5.539 4.665 1.00 0.00 O ATOM 575 CB SER A 41 22.924 -3.426 7.137 1.00 0.00 C ATOM 576 OG SER A 41 22.982 -2.102 7.617 1.00 0.00 O ATOM 0 H SER A 41 23.044 -2.645 4.781 1.00 0.00 H new ATOM 0 HA SER A 41 25.053 -3.567 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.988 -3.581 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.929 -4.121 7.976 1.00 0.00 H new ATOM 0 HG SER A 41 22.082 -1.715 7.618 1.00 0.00 H new ATOM 582 N GLN A 42 24.428 -6.062 6.735 1.00 0.00 N ATOM 583 CA GLN A 42 24.512 -7.513 6.611 1.00 0.00 C ATOM 584 C GLN A 42 23.522 -8.125 7.600 1.00 0.00 C ATOM 585 O GLN A 42 23.471 -7.705 8.758 1.00 0.00 O ATOM 586 CB GLN A 42 25.956 -7.940 6.945 1.00 0.00 C ATOM 587 CG GLN A 42 26.199 -9.459 7.052 1.00 0.00 C ATOM 588 CD GLN A 42 26.026 -10.208 5.732 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.553 -9.807 4.699 1.00 0.00 O ATOM 590 NE2 GLN A 42 25.305 -11.317 5.727 1.00 0.00 N ATOM 0 H GLN A 42 24.686 -5.745 7.670 1.00 0.00 H new ATOM 0 HA GLN A 42 24.267 -7.850 5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.620 -7.538 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.242 -7.478 7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 42 27.208 -9.630 7.426 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.512 -9.876 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.869 -11.646 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 42 25.185 -11.843 4.862 1.00 0.00 H new ATOM 599 N TYR A 43 22.803 -9.163 7.172 1.00 0.00 N ATOM 600 CA TYR A 43 21.838 -9.890 7.987 1.00 0.00 C ATOM 601 C TYR A 43 22.078 -11.368 7.738 1.00 0.00 C ATOM 602 O TYR A 43 22.173 -11.773 6.576 1.00 0.00 O ATOM 603 CB TYR A 43 20.403 -9.498 7.609 1.00 0.00 C ATOM 604 CG TYR A 43 20.167 -8.006 7.672 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.479 -7.204 6.558 1.00 0.00 C ATOM 606 CD2 TYR A 43 19.748 -7.409 8.873 1.00 0.00 C ATOM 607 CE1 TYR A 43 20.410 -5.809 6.650 1.00 0.00 C ATOM 608 CE2 TYR A 43 19.705 -6.009 8.982 1.00 0.00 C ATOM 609 CZ TYR A 43 20.059 -5.209 7.878 1.00 0.00 C ATOM 610 OH TYR A 43 20.119 -3.861 7.993 1.00 0.00 O ATOM 0 H TYR A 43 22.880 -9.529 6.223 1.00 0.00 H new ATOM 0 HA TYR A 43 21.963 -9.651 9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.188 -9.853 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.706 -10.000 8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 43 20.773 -7.667 5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.459 -8.026 9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.624 -5.196 5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 43 19.401 -5.547 9.910 1.00 0.00 H new ATOM 0 HH TYR A 43 20.762 -3.621 8.692 1.00 0.00 H new ATOM 620 N SER A 44 22.194 -12.151 8.805 1.00 0.00 N ATOM 621 CA SER A 44 22.602 -13.541 8.732 1.00 0.00 C ATOM 622 C SER A 44 21.791 -14.341 9.754 1.00 0.00 C ATOM 623 O SER A 44 21.938 -14.148 10.962 1.00 0.00 O ATOM 624 CB SER A 44 24.107 -13.640 9.017 1.00 0.00 C ATOM 625 OG SER A 44 24.873 -12.778 8.184 1.00 0.00 O ATOM 0 H SER A 44 22.004 -11.830 9.754 1.00 0.00 H new ATOM 0 HA SER A 44 22.416 -13.949 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.294 -13.392 10.062 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.435 -14.669 8.870 1.00 0.00 H new ATOM 0 HG SER A 44 25.824 -12.873 8.401 1.00 0.00 H new ATOM 631 N ASP A 45 20.936 -15.241 9.263 1.00 0.00 N ATOM 632 CA ASP A 45 19.970 -16.032 10.029 1.00 0.00 C ATOM 633 C ASP A 45 19.224 -15.208 11.097 1.00 0.00 C ATOM 634 O ASP A 45 19.087 -15.626 12.249 1.00 0.00 O ATOM 635 CB ASP A 45 20.642 -17.302 10.574 1.00 0.00 C ATOM 636 CG ASP A 45 19.597 -18.338 11.016 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.734 -18.702 10.184 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.673 -18.850 12.157 1.00 0.00 O ATOM 0 H ASP A 45 20.897 -15.449 8.265 1.00 0.00 H new ATOM 0 HA ASP A 45 19.179 -16.352 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.285 -17.734 9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.282 -17.044 11.418 1.00 0.00 H new ATOM 643 N ALA A 46 18.773 -14.005 10.723 1.00 0.00 N ATOM 644 CA ALA A 46 18.241 -12.980 11.616 1.00 0.00 C ATOM 645 C ALA A 46 16.839 -12.515 11.198 1.00 0.00 C ATOM 646 O ALA A 46 16.359 -12.826 10.108 1.00 0.00 O ATOM 647 CB ALA A 46 19.224 -11.801 11.610 1.00 0.00 C ATOM 0 H ALA A 46 18.771 -13.711 9.746 1.00 0.00 H new ATOM 0 HA ALA A 46 18.138 -13.396 12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.854 -11.016 12.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.200 -12.139 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.317 -11.410 10.597 1.00 0.00 H new ATOM 653 N ASN A 47 16.187 -11.716 12.046 1.00 0.00 N ATOM 654 CA ASN A 47 14.891 -11.098 11.767 1.00 0.00 C ATOM 655 C ASN A 47 14.945 -9.630 12.156 1.00 0.00 C ATOM 656 O ASN A 47 15.575 -9.273 13.152 1.00 0.00 O ATOM 657 CB ASN A 47 13.770 -11.794 12.549 1.00 0.00 C ATOM 658 CG ASN A 47 12.426 -11.089 12.366 1.00 0.00 C ATOM 659 OD1 ASN A 47 12.003 -10.825 11.247 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.737 -10.748 13.443 1.00 0.00 N ATOM 0 H ASN A 47 16.555 -11.476 12.967 1.00 0.00 H new ATOM 0 HA ASN A 47 14.679 -11.198 10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.685 -12.829 12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.027 -11.818 13.608 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.846 -10.261 13.345 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.097 -10.972 14.371 1.00 0.00 H new ATOM 667 N VAL A 48 14.268 -8.793 11.387 1.00 0.00 N ATOM 668 CA VAL A 48 14.225 -7.351 11.551 1.00 0.00 C ATOM 669 C VAL A 48 12.786 -6.916 11.274 1.00 0.00 C ATOM 670 O VAL A 48 12.225 -7.280 10.236 1.00 0.00 O ATOM 671 CB VAL A 48 15.230 -6.684 10.586 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.344 -5.180 10.859 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.645 -7.277 10.677 1.00 0.00 C ATOM 0 H VAL A 48 13.709 -9.115 10.597 1.00 0.00 H new ATOM 0 HA VAL A 48 14.511 -7.048 12.558 1.00 0.00 H new ATOM 0 HB VAL A 48 14.832 -6.873 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.058 -4.737 10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.369 -4.711 10.725 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.686 -5.021 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.301 -6.764 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.028 -7.150 11.689 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.611 -8.339 10.433 1.00 0.00 H new ATOM 683 N LYS A 49 12.193 -6.146 12.193 1.00 0.00 N ATOM 684 CA LYS A 49 10.815 -5.676 12.089 1.00 0.00 C ATOM 685 C LYS A 49 10.785 -4.194 12.428 1.00 0.00 C ATOM 686 O LYS A 49 11.267 -3.793 13.492 1.00 0.00 O ATOM 687 CB LYS A 49 9.903 -6.500 13.012 1.00 0.00 C ATOM 688 CG LYS A 49 8.412 -6.246 12.726 1.00 0.00 C ATOM 689 CD LYS A 49 7.508 -7.098 13.630 1.00 0.00 C ATOM 690 CE LYS A 49 6.019 -7.040 13.251 1.00 0.00 C ATOM 691 NZ LYS A 49 5.385 -5.724 13.520 1.00 0.00 N ATOM 0 H LYS A 49 12.666 -5.830 13.039 1.00 0.00 H new ATOM 0 HA LYS A 49 10.440 -5.808 11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.121 -7.560 12.885 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.120 -6.253 14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.187 -5.190 12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.198 -6.471 11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.843 -8.134 13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.624 -6.765 14.661 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.913 -7.274 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.482 -7.811 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.410 -5.870 13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.928 -5.220 14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.372 -5.160 12.646 1.00 0.00 H new ATOM 705 N LYS A 50 10.201 -3.391 11.539 1.00 0.00 N ATOM 706 CA LYS A 50 10.095 -1.936 11.626 1.00 0.00 C ATOM 707 C LYS A 50 11.337 -1.268 12.225 1.00 0.00 C ATOM 708 O LYS A 50 11.220 -0.472 13.158 1.00 0.00 O ATOM 709 CB LYS A 50 8.783 -1.583 12.358 1.00 0.00 C ATOM 710 CG LYS A 50 8.323 -0.154 12.026 1.00 0.00 C ATOM 711 CD LYS A 50 6.906 0.145 12.534 1.00 0.00 C ATOM 712 CE LYS A 50 5.797 -0.725 11.918 1.00 0.00 C ATOM 713 NZ LYS A 50 5.815 -0.765 10.438 1.00 0.00 N ATOM 0 H LYS A 50 9.766 -3.759 10.693 1.00 0.00 H new ATOM 0 HA LYS A 50 10.054 -1.522 10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.005 -2.292 12.076 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.927 -1.680 13.434 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.020 0.559 12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.356 -0.008 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.889 0.016 13.616 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.678 1.192 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.893 -1.741 12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.829 -0.350 12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.051 -1.383 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.676 0.195 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.730 -1.135 10.112 1.00 0.00 H new ATOM 727 N SER A 51 12.531 -1.606 11.737 1.00 0.00 N ATOM 728 CA SER A 51 13.776 -1.118 12.317 1.00 0.00 C ATOM 729 C SER A 51 14.645 -0.508 11.224 1.00 0.00 C ATOM 730 O SER A 51 14.593 -0.941 10.072 1.00 0.00 O ATOM 731 CB SER A 51 14.482 -2.268 13.035 1.00 0.00 C ATOM 732 OG SER A 51 13.695 -2.742 14.115 1.00 0.00 O ATOM 0 H SER A 51 12.659 -2.222 10.934 1.00 0.00 H new ATOM 0 HA SER A 51 13.574 -0.338 13.051 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.672 -3.080 12.333 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.451 -1.933 13.404 1.00 0.00 H new ATOM 0 HG SER A 51 12.834 -3.065 13.776 1.00 0.00 H new ATOM 738 N VAL A 52 15.444 0.494 11.589 1.00 0.00 N ATOM 739 CA VAL A 52 16.338 1.204 10.681 1.00 0.00 C ATOM 740 C VAL A 52 17.737 0.704 11.022 1.00 0.00 C ATOM 741 O VAL A 52 18.112 0.686 12.194 1.00 0.00 O ATOM 742 CB VAL A 52 16.171 2.729 10.848 1.00 0.00 C ATOM 743 CG1 VAL A 52 17.050 3.492 9.844 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.710 3.165 10.640 1.00 0.00 C ATOM 0 H VAL A 52 15.487 0.841 12.547 1.00 0.00 H new ATOM 0 HA VAL A 52 16.121 1.013 9.630 1.00 0.00 H new ATOM 0 HB VAL A 52 16.477 2.966 11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.914 4.565 9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.097 3.235 10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.764 3.218 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.631 4.245 10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.388 2.892 9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.074 2.667 11.372 1.00 0.00 H new ATOM 754 N THR A 53 18.511 0.265 10.036 1.00 0.00 N ATOM 755 CA THR A 53 19.753 -0.441 10.317 1.00 0.00 C ATOM 756 C THR A 53 20.754 -0.155 9.195 1.00 0.00 C ATOM 757 O THR A 53 20.557 -0.546 8.041 1.00 0.00 O ATOM 758 CB THR A 53 19.399 -1.919 10.628 1.00 0.00 C ATOM 759 OG1 THR A 53 20.502 -2.789 10.485 1.00 0.00 O ATOM 760 CG2 THR A 53 18.211 -2.489 9.833 1.00 0.00 C ATOM 0 H THR A 53 18.303 0.384 9.045 1.00 0.00 H new ATOM 0 HA THR A 53 20.278 -0.096 11.208 1.00 0.00 H new ATOM 0 HB THR A 53 19.096 -1.876 11.674 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.192 -3.718 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.044 -3.527 10.122 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.316 -1.904 10.046 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.430 -2.440 8.766 1.00 0.00 H new ATOM 768 N THR A 54 21.820 0.578 9.525 1.00 0.00 N ATOM 769 CA THR A 54 22.757 1.133 8.557 1.00 0.00 C ATOM 770 C THR A 54 24.181 0.693 8.897 1.00 0.00 C ATOM 771 O THR A 54 24.647 0.904 10.019 1.00 0.00 O ATOM 772 CB THR A 54 22.609 2.665 8.549 1.00 0.00 C ATOM 773 OG1 THR A 54 21.284 3.024 8.198 1.00 0.00 O ATOM 774 CG2 THR A 54 23.567 3.353 7.568 1.00 0.00 C ATOM 0 H THR A 54 22.057 0.804 10.491 1.00 0.00 H new ATOM 0 HA THR A 54 22.539 0.762 7.556 1.00 0.00 H new ATOM 0 HB THR A 54 22.854 3.000 9.557 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.199 4.000 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.415 4.432 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.596 3.121 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.371 2.996 6.557 1.00 0.00 H new ATOM 782 N ASP A 55 24.874 0.132 7.903 1.00 0.00 N ATOM 783 CA ASP A 55 26.218 -0.439 7.983 1.00 0.00 C ATOM 784 C ASP A 55 26.377 -1.360 9.202 1.00 0.00 C ATOM 785 O ASP A 55 27.390 -1.328 9.901 1.00 0.00 O ATOM 786 CB ASP A 55 27.271 0.679 7.892 1.00 0.00 C ATOM 787 CG ASP A 55 28.711 0.137 7.806 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.963 -0.835 7.058 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.617 0.733 8.433 1.00 0.00 O ATOM 0 H ASP A 55 24.486 0.061 6.962 1.00 0.00 H new ATOM 0 HA ASP A 55 26.383 -1.092 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.066 1.294 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.183 1.327 8.764 1.00 0.00 H new ATOM 794 N CYS A 56 25.347 -2.162 9.494 1.00 0.00 N ATOM 795 CA CYS A 56 25.313 -3.028 10.663 1.00 0.00 C ATOM 796 C CYS A 56 25.534 -4.478 10.244 1.00 0.00 C ATOM 797 O CYS A 56 25.410 -4.815 9.065 1.00 0.00 O ATOM 798 CB CYS A 56 23.993 -2.853 11.429 1.00 0.00 C ATOM 799 SG CYS A 56 23.913 -1.334 12.417 1.00 0.00 S ATOM 0 H CYS A 56 24.509 -2.224 8.916 1.00 0.00 H new ATOM 0 HA CYS A 56 26.120 -2.746 11.339 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.168 -2.855 10.717 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.849 -3.710 12.086 1.00 0.00 H new ATOM 804 N ASN A 57 25.832 -5.348 11.209 1.00 0.00 N ATOM 805 CA ASN A 57 25.991 -6.781 10.998 1.00 0.00 C ATOM 806 C ASN A 57 25.087 -7.444 12.011 1.00 0.00 C ATOM 807 O ASN A 57 25.368 -7.367 13.205 1.00 0.00 O ATOM 808 CB ASN A 57 27.452 -7.210 11.202 1.00 0.00 C ATOM 809 CG ASN A 57 27.603 -8.729 11.148 1.00 0.00 C ATOM 810 OD1 ASN A 57 28.012 -9.282 10.132 1.00 0.00 O ATOM 811 ND2 ASN A 57 27.276 -9.440 12.217 1.00 0.00 N ATOM 0 H ASN A 57 25.972 -5.067 12.179 1.00 0.00 H new ATOM 0 HA ASN A 57 25.729 -7.066 9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.077 -6.754 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.809 -6.842 12.164 1.00 0.00 H new ATOM 0 HD21 ASN A 57 27.363 -10.456 12.200 1.00 0.00 H new ATOM 0 HD22 ASN A 57 26.937 -8.971 13.057 1.00 0.00 H new ATOM 818 N ILE A 58 24.024 -8.089 11.554 1.00 0.00 N ATOM 819 CA ILE A 58 22.961 -8.582 12.409 1.00 0.00 C ATOM 820 C ILE A 58 22.972 -10.099 12.249 1.00 0.00 C ATOM 821 O ILE A 58 22.495 -10.612 11.236 1.00 0.00 O ATOM 822 CB ILE A 58 21.627 -7.918 12.003 1.00 0.00 C ATOM 823 CG1 ILE A 58 21.708 -6.376 11.913 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.485 -8.337 12.942 1.00 0.00 C ATOM 825 CD1 ILE A 58 22.046 -5.638 13.209 1.00 0.00 C ATOM 0 H ILE A 58 23.876 -8.286 10.564 1.00 0.00 H new ATOM 0 HA ILE A 58 23.097 -8.335 13.462 1.00 0.00 H new ATOM 0 HB ILE A 58 21.414 -8.281 10.998 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.458 -6.116 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.751 -6.004 11.547 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.560 -7.852 12.629 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.359 -9.419 12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.724 -8.037 13.962 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.074 -4.565 13.020 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.286 -5.854 13.960 1.00 0.00 H new ATOM 0 HD13 ILE A 58 23.019 -5.968 13.572 1.00 0.00 H new ATOM 837 N ASP A 59 23.559 -10.823 13.204 1.00 0.00 N ATOM 838 CA ASP A 59 23.796 -12.256 13.067 1.00 0.00 C ATOM 839 C ASP A 59 23.025 -12.976 14.161 1.00 0.00 C ATOM 840 O ASP A 59 23.082 -12.556 15.315 1.00 0.00 O ATOM 841 CB ASP A 59 25.299 -12.526 13.160 1.00 0.00 C ATOM 842 CG ASP A 59 25.589 -14.030 13.140 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.477 -14.659 12.066 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.955 -14.575 14.202 1.00 0.00 O ATOM 0 H ASP A 59 23.881 -10.432 14.089 1.00 0.00 H new ATOM 0 HA ASP A 59 23.450 -12.623 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.811 -12.042 12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.695 -12.088 14.076 1.00 0.00 H new ATOM 849 N LYS A 60 22.262 -14.019 13.816 1.00 0.00 N ATOM 850 CA LYS A 60 21.407 -14.792 14.732 1.00 0.00 C ATOM 851 C LYS A 60 20.490 -13.929 15.619 1.00 0.00 C ATOM 852 O LYS A 60 20.049 -14.397 16.671 1.00 0.00 O ATOM 853 CB LYS A 60 22.271 -15.741 15.594 1.00 0.00 C ATOM 854 CG LYS A 60 23.162 -16.717 14.809 1.00 0.00 C ATOM 855 CD LYS A 60 23.919 -17.686 15.739 1.00 0.00 C ATOM 856 CE LYS A 60 24.771 -17.008 16.829 1.00 0.00 C ATOM 857 NZ LYS A 60 25.963 -16.309 16.291 1.00 0.00 N ATOM 0 H LYS A 60 22.219 -14.363 12.857 1.00 0.00 H new ATOM 0 HA LYS A 60 20.735 -15.374 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.906 -15.138 16.243 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.611 -16.319 16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 60 22.548 -17.288 14.113 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.879 -16.153 14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 60 23.195 -18.343 16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 60 24.568 -18.317 15.131 1.00 0.00 H new ATOM 0 HE2 LYS A 60 24.153 -16.293 17.371 1.00 0.00 H new ATOM 0 HE3 LYS A 60 25.094 -17.760 17.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 26.206 -15.510 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 26.764 -16.971 16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.756 -15.955 15.335 1.00 0.00 H new ATOM 871 N SER A 61 20.191 -12.689 15.231 1.00 0.00 N ATOM 872 CA SER A 61 19.525 -11.716 16.093 1.00 0.00 C ATOM 873 C SER A 61 18.100 -11.432 15.623 1.00 0.00 C ATOM 874 O SER A 61 17.728 -11.761 14.496 1.00 0.00 O ATOM 875 CB SER A 61 20.381 -10.446 16.158 1.00 0.00 C ATOM 876 OG SER A 61 21.646 -10.738 16.731 1.00 0.00 O ATOM 0 H SER A 61 20.407 -12.330 14.301 1.00 0.00 H new ATOM 0 HA SER A 61 19.429 -12.125 17.099 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.513 -10.036 15.157 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.872 -9.685 16.750 1.00 0.00 H new ATOM 0 HG SER A 61 22.125 -11.374 16.160 1.00 0.00 H new ATOM 882 N GLN A 62 17.286 -10.841 16.496 1.00 0.00 N ATOM 883 CA GLN A 62 15.885 -10.533 16.256 1.00 0.00 C ATOM 884 C GLN A 62 15.696 -9.089 16.717 1.00 0.00 C ATOM 885 O GLN A 62 15.874 -8.779 17.897 1.00 0.00 O ATOM 886 CB GLN A 62 14.955 -11.521 16.986 1.00 0.00 C ATOM 887 CG GLN A 62 15.132 -13.000 16.589 1.00 0.00 C ATOM 888 CD GLN A 62 16.367 -13.668 17.207 1.00 0.00 C ATOM 889 OE1 GLN A 62 16.618 -13.582 18.406 1.00 0.00 O ATOM 890 NE2 GLN A 62 17.176 -14.338 16.402 1.00 0.00 N ATOM 0 H GLN A 62 17.600 -10.555 17.423 1.00 0.00 H new ATOM 0 HA GLN A 62 15.621 -10.636 15.204 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.121 -11.427 18.059 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.922 -11.231 16.796 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.243 -13.555 16.889 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.199 -13.069 15.503 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.963 -14.407 15.407 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.012 -14.786 16.777 1.00 0.00 H new ATOM 899 N VAL A 63 15.364 -8.207 15.781 1.00 0.00 N ATOM 900 CA VAL A 63 15.367 -6.763 15.962 1.00 0.00 C ATOM 901 C VAL A 63 13.952 -6.234 15.725 1.00 0.00 C ATOM 902 O VAL A 63 13.325 -6.608 14.733 1.00 0.00 O ATOM 903 CB VAL A 63 16.389 -6.183 14.954 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.520 -4.666 15.089 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.784 -6.817 15.090 1.00 0.00 C ATOM 0 H VAL A 63 15.076 -8.489 14.844 1.00 0.00 H new ATOM 0 HA VAL A 63 15.657 -6.469 16.971 1.00 0.00 H new ATOM 0 HB VAL A 63 15.993 -6.428 13.968 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.246 -4.298 14.365 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.553 -4.199 14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.854 -4.418 16.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.459 -6.372 14.359 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.168 -6.638 16.094 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.715 -7.890 14.914 1.00 0.00 H new ATOM 915 N TYR A 64 13.459 -5.356 16.604 1.00 0.00 N ATOM 916 CA TYR A 64 12.098 -4.828 16.545 1.00 0.00 C ATOM 917 C TYR A 64 12.114 -3.349 16.921 1.00 0.00 C ATOM 918 O TYR A 64 12.685 -3.010 17.959 1.00 0.00 O ATOM 919 CB TYR A 64 11.213 -5.589 17.545 1.00 0.00 C ATOM 920 CG TYR A 64 11.101 -7.084 17.313 1.00 0.00 C ATOM 921 CD1 TYR A 64 12.068 -7.956 17.848 1.00 0.00 C ATOM 922 CD2 TYR A 64 10.023 -7.606 16.574 1.00 0.00 C ATOM 923 CE1 TYR A 64 11.969 -9.339 17.628 1.00 0.00 C ATOM 924 CE2 TYR A 64 9.926 -8.989 16.335 1.00 0.00 C ATOM 925 CZ TYR A 64 10.908 -9.863 16.856 1.00 0.00 C ATOM 926 OH TYR A 64 10.847 -11.204 16.624 1.00 0.00 O ATOM 0 H TYR A 64 14.003 -4.989 17.385 1.00 0.00 H new ATOM 0 HA TYR A 64 11.704 -4.949 15.536 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.604 -5.423 18.549 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.212 -5.159 17.518 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.888 -7.560 18.429 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.265 -6.940 16.188 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.707 -10.005 18.051 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.104 -9.382 15.755 1.00 0.00 H new ATOM 0 HH TYR A 64 10.059 -11.406 16.078 1.00 0.00 H new ATOM 936 N LEU A 65 11.451 -2.472 16.151 1.00 0.00 N ATOM 937 CA LEU A 65 11.291 -1.038 16.463 1.00 0.00 C ATOM 938 C LEU A 65 12.616 -0.338 16.844 1.00 0.00 C ATOM 939 O LEU A 65 12.608 0.653 17.578 1.00 0.00 O ATOM 940 CB LEU A 65 10.208 -0.870 17.557 1.00 0.00 C ATOM 941 CG LEU A 65 8.779 -1.223 17.104 1.00 0.00 C ATOM 942 CD1 LEU A 65 7.871 -1.379 18.329 1.00 0.00 C ATOM 943 CD2 LEU A 65 8.197 -0.142 16.186 1.00 0.00 C ATOM 0 H LEU A 65 11.001 -2.742 15.276 1.00 0.00 H new ATOM 0 HA LEU A 65 10.965 -0.535 15.553 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.470 -1.497 18.409 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.220 0.163 17.906 1.00 0.00 H new ATOM 0 HG LEU A 65 8.829 -2.159 16.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.861 -1.629 18.004 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.254 -2.175 18.967 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.851 -0.444 18.889 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.188 -0.424 15.886 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.165 0.809 16.718 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.824 -0.041 15.300 1.00 0.00 H new ATOM 955 N THR A 66 13.756 -0.830 16.361 1.00 0.00 N ATOM 956 CA THR A 66 15.086 -0.429 16.808 1.00 0.00 C ATOM 957 C THR A 66 15.828 0.360 15.718 1.00 0.00 C ATOM 958 O THR A 66 15.458 0.343 14.541 1.00 0.00 O ATOM 959 CB THR A 66 15.779 -1.726 17.284 1.00 0.00 C ATOM 960 OG1 THR A 66 15.187 -2.125 18.507 1.00 0.00 O ATOM 961 CG2 THR A 66 17.294 -1.694 17.505 1.00 0.00 C ATOM 0 H THR A 66 13.779 -1.538 15.627 1.00 0.00 H new ATOM 0 HA THR A 66 15.063 0.276 17.639 1.00 0.00 H new ATOM 0 HB THR A 66 15.633 -2.414 16.451 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.331 -2.566 18.327 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.634 -2.675 17.837 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.793 -1.434 16.571 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.535 -0.950 18.264 1.00 0.00 H new ATOM 969 N THR A 67 16.893 1.057 16.114 1.00 0.00 N ATOM 970 CA THR A 67 17.776 1.809 15.238 1.00 0.00 C ATOM 971 C THR A 67 19.201 1.288 15.462 1.00 0.00 C ATOM 972 O THR A 67 19.633 1.162 16.609 1.00 0.00 O ATOM 973 CB THR A 67 17.634 3.312 15.539 1.00 0.00 C ATOM 974 OG1 THR A 67 16.277 3.712 15.443 1.00 0.00 O ATOM 975 CG2 THR A 67 18.445 4.176 14.567 1.00 0.00 C ATOM 0 H THR A 67 17.171 1.112 17.094 1.00 0.00 H new ATOM 0 HA THR A 67 17.521 1.676 14.187 1.00 0.00 H new ATOM 0 HB THR A 67 18.012 3.459 16.551 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.204 4.669 15.639 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.313 5.228 14.819 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.500 3.914 14.641 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.099 4.001 13.548 1.00 0.00 H new ATOM 983 N CYS A 68 19.927 0.991 14.383 1.00 0.00 N ATOM 984 CA CYS A 68 21.287 0.467 14.412 1.00 0.00 C ATOM 985 C CYS A 68 22.137 1.287 13.450 1.00 0.00 C ATOM 986 O CYS A 68 21.724 1.516 12.309 1.00 0.00 O ATOM 987 CB CYS A 68 21.278 -1.018 14.011 1.00 0.00 C ATOM 988 SG CYS A 68 22.884 -1.857 14.104 1.00 0.00 S ATOM 0 H CYS A 68 19.570 1.114 13.436 1.00 0.00 H new ATOM 0 HA CYS A 68 21.706 0.541 15.416 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.573 -1.546 14.653 1.00 0.00 H new ATOM 0 HB3 CYS A 68 20.903 -1.099 12.991 1.00 0.00 H new ATOM 993 N THR A 69 23.331 1.685 13.889 1.00 0.00 N ATOM 994 CA THR A 69 24.274 2.440 13.076 1.00 0.00 C ATOM 995 C THR A 69 25.669 1.867 13.325 1.00 0.00 C ATOM 996 O THR A 69 26.145 1.892 14.461 1.00 0.00 O ATOM 997 CB THR A 69 24.199 3.939 13.441 1.00 0.00 C ATOM 998 OG1 THR A 69 22.859 4.387 13.573 1.00 0.00 O ATOM 999 CG2 THR A 69 24.882 4.806 12.378 1.00 0.00 C ATOM 0 H THR A 69 23.671 1.488 14.830 1.00 0.00 H new ATOM 0 HA THR A 69 24.034 2.355 12.016 1.00 0.00 H new ATOM 0 HB THR A 69 24.713 4.041 14.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.854 5.339 13.806 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.812 5.855 12.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 25.931 4.522 12.296 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.390 4.659 11.417 1.00 0.00 H new ATOM 1007 N GLY A 70 26.327 1.343 12.290 1.00 0.00 N ATOM 1008 CA GLY A 70 27.725 0.921 12.352 1.00 0.00 C ATOM 1009 C GLY A 70 28.007 -0.079 13.475 1.00 0.00 C ATOM 1010 O GLY A 70 29.062 0.013 14.104 1.00 0.00 O ATOM 0 H GLY A 70 25.899 1.199 11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.005 0.474 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.356 1.799 12.490 1.00 0.00 H new ATOM 1014 N SER A 71 27.069 -0.987 13.771 1.00 0.00 N ATOM 1015 CA SER A 71 27.126 -1.843 14.952 1.00 0.00 C ATOM 1016 C SER A 71 26.882 -3.315 14.610 1.00 0.00 C ATOM 1017 O SER A 71 26.297 -3.641 13.575 1.00 0.00 O ATOM 1018 CB SER A 71 26.117 -1.330 15.991 1.00 0.00 C ATOM 1019 OG SER A 71 26.447 -0.014 16.395 1.00 0.00 O ATOM 0 H SER A 71 26.245 -1.146 13.191 1.00 0.00 H new ATOM 0 HA SER A 71 28.131 -1.794 15.371 1.00 0.00 H new ATOM 0 HB2 SER A 71 25.112 -1.346 15.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 26.110 -1.992 16.857 1.00 0.00 H new ATOM 0 HG SER A 71 26.358 0.594 15.632 1.00 0.00 H new ATOM 1025 N GLN A 72 27.329 -4.210 15.491 1.00 0.00 N ATOM 1026 CA GLN A 72 27.230 -5.653 15.323 1.00 0.00 C ATOM 1027 C GLN A 72 26.273 -6.183 16.381 1.00 0.00 C ATOM 1028 O GLN A 72 26.530 -6.000 17.570 1.00 0.00 O ATOM 1029 CB GLN A 72 28.629 -6.290 15.459 1.00 0.00 C ATOM 1030 CG GLN A 72 28.626 -7.834 15.442 1.00 0.00 C ATOM 1031 CD GLN A 72 29.074 -8.472 16.768 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.138 -9.077 16.845 1.00 0.00 O ATOM 1033 NE2 GLN A 72 28.290 -8.376 17.834 1.00 0.00 N ATOM 0 H GLN A 72 27.782 -3.940 16.364 1.00 0.00 H new ATOM 0 HA GLN A 72 26.849 -5.906 14.334 1.00 0.00 H new ATOM 0 HB2 GLN A 72 29.260 -5.930 14.647 1.00 0.00 H new ATOM 0 HB3 GLN A 72 29.082 -5.949 16.390 1.00 0.00 H new ATOM 0 HG2 GLN A 72 27.621 -8.183 15.203 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.282 -8.180 14.643 1.00 0.00 H new ATOM 0 HE21 GLN A 72 27.405 -7.873 17.772 1.00 0.00 H new ATOM 0 HE22 GLN A 72 28.573 -8.805 18.715 1.00 0.00 H new ATOM 1042 N TYR A 73 25.232 -6.903 15.974 1.00 0.00 N ATOM 1043 CA TYR A 73 24.362 -7.650 16.871 1.00 0.00 C ATOM 1044 C TYR A 73 24.658 -9.120 16.594 1.00 0.00 C ATOM 1045 O TYR A 73 24.739 -9.510 15.429 1.00 0.00 O ATOM 1046 CB TYR A 73 22.886 -7.353 16.579 1.00 0.00 C ATOM 1047 CG TYR A 73 22.351 -5.950 16.830 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.132 -4.910 17.379 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.015 -5.691 16.479 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.594 -3.621 17.518 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.470 -4.403 16.606 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.261 -3.359 17.129 1.00 0.00 C ATOM 1053 OH TYR A 73 20.739 -2.110 17.278 1.00 0.00 O ATOM 0 H TYR A 73 24.966 -6.984 14.993 1.00 0.00 H new ATOM 0 HA TYR A 73 24.542 -7.379 17.911 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.703 -7.592 15.531 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.288 -8.044 17.173 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.146 -5.107 17.693 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.398 -6.495 16.106 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.202 -2.826 17.924 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.450 -4.213 16.305 1.00 0.00 H new ATOM 0 HH TYR A 73 21.465 -1.467 17.421 1.00 0.00 H new ATOM 1063 N ASN A 74 24.859 -9.923 17.635 1.00 0.00 N ATOM 1064 CA ASN A 74 25.220 -11.330 17.496 1.00 0.00 C ATOM 1065 C ASN A 74 24.456 -12.158 18.533 1.00 0.00 C ATOM 1066 O ASN A 74 24.808 -12.164 19.715 1.00 0.00 O ATOM 1067 CB ASN A 74 26.740 -11.472 17.672 1.00 0.00 C ATOM 1068 CG ASN A 74 27.198 -12.882 18.039 1.00 0.00 C ATOM 1069 OD1 ASN A 74 26.675 -13.887 17.563 1.00 0.00 O ATOM 1070 ND2 ASN A 74 28.191 -12.978 18.906 1.00 0.00 N ATOM 0 H ASN A 74 24.776 -9.614 18.604 1.00 0.00 H new ATOM 0 HA ASN A 74 24.949 -11.699 16.507 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.231 -11.172 16.747 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.071 -10.781 18.447 1.00 0.00 H new ATOM 0 HD21 ASN A 74 28.534 -13.896 19.189 1.00 0.00 H new ATOM 0 HD22 ASN A 74 28.614 -12.134 19.292 1.00 0.00 H new ATOM 1077 N GLY A 75 23.412 -12.861 18.099 1.00 0.00 N ATOM 1078 CA GLY A 75 22.597 -13.710 18.952 1.00 0.00 C ATOM 1079 C GLY A 75 21.801 -12.911 19.980 1.00 0.00 C ATOM 1080 O GLY A 75 21.767 -13.317 21.144 1.00 0.00 O ATOM 0 H GLY A 75 23.107 -12.853 17.126 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.910 -14.288 18.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.239 -14.424 19.469 1.00 0.00 H new ATOM 1084 N ILE A 76 21.200 -11.776 19.599 1.00 0.00 N ATOM 1085 CA ILE A 76 20.499 -10.914 20.552 1.00 0.00 C ATOM 1086 C ILE A 76 19.063 -10.636 20.101 1.00 0.00 C ATOM 1087 O ILE A 76 18.779 -10.513 18.909 1.00 0.00 O ATOM 1088 CB ILE A 76 21.287 -9.602 20.839 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.933 -8.443 19.878 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.814 -9.830 20.880 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.700 -7.141 20.139 1.00 0.00 C ATOM 0 H ILE A 76 21.187 -11.436 18.637 1.00 0.00 H new ATOM 0 HA ILE A 76 20.441 -11.454 21.497 1.00 0.00 H new ATOM 0 HB ILE A 76 20.963 -9.295 21.833 1.00 0.00 H new ATOM 0 HG12 ILE A 76 21.127 -8.765 18.855 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.864 -8.241 19.952 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.318 -8.885 21.083 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.054 -10.546 21.666 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.149 -10.221 19.919 1.00 0.00 H new ATOM 0 HD11 ILE A 76 21.388 -6.384 19.419 1.00 0.00 H new ATOM 0 HD12 ILE A 76 21.488 -6.790 21.149 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.770 -7.322 20.035 1.00 0.00 H new ATOM 1103 N TYR A 77 18.168 -10.500 21.070 1.00 0.00 N ATOM 1104 CA TYR A 77 16.818 -10.001 20.892 1.00 0.00 C ATOM 1105 C TYR A 77 16.911 -8.538 21.322 1.00 0.00 C ATOM 1106 O TYR A 77 17.464 -8.255 22.387 1.00 0.00 O ATOM 1107 CB TYR A 77 15.844 -10.788 21.780 1.00 0.00 C ATOM 1108 CG TYR A 77 14.542 -10.064 22.085 1.00 0.00 C ATOM 1109 CD1 TYR A 77 13.698 -9.642 21.040 1.00 0.00 C ATOM 1110 CD2 TYR A 77 14.190 -9.785 23.421 1.00 0.00 C ATOM 1111 CE1 TYR A 77 12.507 -8.951 21.327 1.00 0.00 C ATOM 1112 CE2 TYR A 77 13.003 -9.093 23.715 1.00 0.00 C ATOM 1113 CZ TYR A 77 12.152 -8.674 22.667 1.00 0.00 C ATOM 1114 OH TYR A 77 10.990 -8.014 22.933 1.00 0.00 O ATOM 0 H TYR A 77 18.374 -10.745 22.038 1.00 0.00 H new ATOM 0 HA TYR A 77 16.447 -10.106 19.872 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.613 -11.735 21.293 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.341 -11.026 22.720 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.966 -9.850 20.015 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.837 -10.105 24.224 1.00 0.00 H new ATOM 0 HE1 TYR A 77 11.862 -8.631 20.522 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.741 -8.881 24.741 1.00 0.00 H new ATOM 0 HH TYR A 77 10.891 -7.903 23.902 1.00 0.00 H new ATOM 1124 N ILE A 78 16.413 -7.603 20.516 1.00 0.00 N ATOM 1125 CA ILE A 78 16.500 -6.184 20.829 1.00 0.00 C ATOM 1126 C ILE A 78 15.236 -5.475 20.350 1.00 0.00 C ATOM 1127 O ILE A 78 14.792 -5.673 19.213 1.00 0.00 O ATOM 1128 CB ILE A 78 17.827 -5.592 20.306 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.921 -4.093 20.657 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.055 -5.846 18.807 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.336 -3.520 20.501 1.00 0.00 C ATOM 0 H ILE A 78 15.942 -7.808 19.635 1.00 0.00 H new ATOM 0 HA ILE A 78 16.536 -6.026 21.907 1.00 0.00 H new ATOM 0 HB ILE A 78 18.635 -6.118 20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.238 -3.534 20.018 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.588 -3.946 21.685 1.00 0.00 H new ATOM 0 HG21 ILE A 78 19.004 -5.405 18.503 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.077 -6.919 18.619 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.245 -5.394 18.234 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.331 -2.462 20.764 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.020 -4.055 21.160 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.664 -3.636 19.468 1.00 0.00 H new ATOM 1143 N ARG A 79 14.643 -4.667 21.235 1.00 0.00 N ATOM 1144 CA ARG A 79 13.345 -4.049 21.019 1.00 0.00 C ATOM 1145 C ARG A 79 13.418 -2.569 21.359 1.00 0.00 C ATOM 1146 O ARG A 79 13.985 -2.213 22.395 1.00 0.00 O ATOM 1147 CB ARG A 79 12.313 -4.754 21.919 1.00 0.00 C ATOM 1148 CG ARG A 79 10.918 -4.770 21.281 1.00 0.00 C ATOM 1149 CD ARG A 79 9.798 -4.699 22.323 1.00 0.00 C ATOM 1150 NE ARG A 79 9.611 -3.311 22.773 1.00 0.00 N ATOM 1151 CZ ARG A 79 8.955 -2.885 23.855 1.00 0.00 C ATOM 1152 NH1 ARG A 79 8.426 -3.743 24.724 1.00 0.00 N ATOM 1153 NH2 ARG A 79 8.843 -1.574 24.039 1.00 0.00 N ATOM 0 H ARG A 79 15.063 -4.425 22.132 1.00 0.00 H new ATOM 0 HA ARG A 79 13.049 -4.148 19.975 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.637 -5.777 22.111 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.266 -4.248 22.883 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.826 -3.928 20.595 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.803 -5.678 20.689 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.870 -5.079 21.896 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.042 -5.335 23.174 1.00 0.00 H new ATOM 0 HE ARG A 79 10.032 -2.588 22.189 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.518 -4.747 24.570 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.929 -3.397 25.544 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.252 -0.928 23.364 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.348 -1.214 24.855 1.00 0.00 H new ATOM 1167 N SER A 80 12.793 -1.715 20.548 1.00 0.00 N ATOM 1168 CA SER A 80 12.600 -0.291 20.820 1.00 0.00 C ATOM 1169 C SER A 80 13.893 0.459 21.203 1.00 0.00 C ATOM 1170 O SER A 80 13.829 1.428 21.963 1.00 0.00 O ATOM 1171 CB SER A 80 11.508 -0.141 21.888 1.00 0.00 C ATOM 1172 OG SER A 80 10.329 -0.850 21.531 1.00 0.00 O ATOM 0 H SER A 80 12.394 -2.005 19.655 1.00 0.00 H new ATOM 0 HA SER A 80 12.284 0.186 19.892 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.880 -0.509 22.844 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.272 0.915 22.023 1.00 0.00 H new ATOM 0 HG SER A 80 9.578 -0.224 21.467 1.00 0.00 H new ATOM 1178 N SER A 81 15.062 0.024 20.720 1.00 0.00 N ATOM 1179 CA SER A 81 16.355 0.521 21.191 1.00 0.00 C ATOM 1180 C SER A 81 17.113 1.292 20.101 1.00 0.00 C ATOM 1181 O SER A 81 16.693 1.326 18.944 1.00 0.00 O ATOM 1182 CB SER A 81 17.161 -0.668 21.725 1.00 0.00 C ATOM 1183 OG SER A 81 16.504 -1.272 22.829 1.00 0.00 O ATOM 0 H SER A 81 15.136 -0.684 19.990 1.00 0.00 H new ATOM 0 HA SER A 81 16.195 1.241 21.993 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.300 -1.404 20.933 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.154 -0.333 22.026 1.00 0.00 H new ATOM 0 HG SER A 81 15.630 -1.611 22.544 1.00 0.00 H new ATOM 1189 N THR A 82 18.241 1.907 20.458 1.00 0.00 N ATOM 1190 CA THR A 82 19.108 2.654 19.552 1.00 0.00 C ATOM 1191 C THR A 82 20.556 2.283 19.875 1.00 0.00 C ATOM 1192 O THR A 82 20.934 2.266 21.051 1.00 0.00 O ATOM 1193 CB THR A 82 18.854 4.164 19.729 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.493 4.477 19.496 1.00 0.00 O ATOM 1195 CG2 THR A 82 19.698 5.021 18.777 1.00 0.00 C ATOM 0 H THR A 82 18.586 1.897 21.418 1.00 0.00 H new ATOM 0 HA THR A 82 18.901 2.406 18.511 1.00 0.00 H new ATOM 0 HB THR A 82 19.135 4.392 20.757 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.354 5.440 19.615 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.479 6.075 18.945 1.00 0.00 H new ATOM 0 HG22 THR A 82 20.756 4.836 18.963 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.460 4.761 17.746 1.00 0.00 H new ATOM 1203 N THR A 83 21.372 2.014 18.855 1.00 0.00 N ATOM 1204 CA THR A 83 22.777 1.662 19.019 1.00 0.00 C ATOM 1205 C THR A 83 23.623 2.460 18.018 1.00 0.00 C ATOM 1206 O THR A 83 23.122 2.891 16.971 1.00 0.00 O ATOM 1207 CB THR A 83 22.963 0.139 18.874 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.720 -0.260 17.545 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.051 -0.657 19.819 1.00 0.00 C ATOM 0 H THR A 83 21.069 2.036 17.881 1.00 0.00 H new ATOM 0 HA THR A 83 23.117 1.926 20.020 1.00 0.00 H new ATOM 0 HB THR A 83 23.996 -0.078 19.146 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.421 -0.881 17.257 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.222 -1.724 19.676 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.274 -0.389 20.852 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.009 -0.424 19.601 1.00 0.00 H new ATOM 1217 N THR A 84 24.903 2.691 18.322 1.00 0.00 N ATOM 1218 CA THR A 84 25.843 3.343 17.417 1.00 0.00 C ATOM 1219 C THR A 84 27.261 2.852 17.733 1.00 0.00 C ATOM 1220 O THR A 84 27.660 2.826 18.901 1.00 0.00 O ATOM 1221 CB THR A 84 25.716 4.876 17.553 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.405 5.302 17.226 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.676 5.643 16.635 1.00 0.00 C ATOM 0 H THR A 84 25.317 2.426 19.216 1.00 0.00 H new ATOM 0 HA THR A 84 25.619 3.088 16.381 1.00 0.00 H new ATOM 0 HB THR A 84 25.962 5.093 18.592 1.00 0.00 H new ATOM 0 HG1 THR A 84 24.344 6.276 17.320 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.538 6.715 16.778 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.704 5.374 16.878 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.469 5.386 15.596 1.00 0.00 H new ATOM 1231 N GLY A 85 28.033 2.505 16.700 1.00 0.00 N ATOM 1232 CA GLY A 85 29.452 2.181 16.790 1.00 0.00 C ATOM 1233 C GLY A 85 29.792 1.169 17.885 1.00 0.00 C ATOM 1234 O GLY A 85 30.733 1.408 18.641 1.00 0.00 O ATOM 0 H GLY A 85 27.672 2.441 15.748 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.786 1.787 15.830 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.013 3.098 16.971 1.00 0.00 H new ATOM 1238 N THR A 86 29.044 0.072 18.023 1.00 0.00 N ATOM 1239 CA THR A 86 29.205 -0.851 19.145 1.00 0.00 C ATOM 1240 C THR A 86 29.018 -2.302 18.678 1.00 0.00 C ATOM 1241 O THR A 86 28.440 -2.561 17.623 1.00 0.00 O ATOM 1242 CB THR A 86 28.246 -0.387 20.265 1.00 0.00 C ATOM 1243 OG1 THR A 86 28.417 -1.067 21.494 1.00 0.00 O ATOM 1244 CG2 THR A 86 26.761 -0.458 19.898 1.00 0.00 C ATOM 0 H THR A 86 28.314 -0.199 17.364 1.00 0.00 H new ATOM 0 HA THR A 86 30.214 -0.835 19.556 1.00 0.00 H new ATOM 0 HB THR A 86 28.534 0.657 20.386 1.00 0.00 H new ATOM 0 HG1 THR A 86 29.264 -1.559 21.480 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.161 -0.114 20.741 1.00 0.00 H new ATOM 0 HG22 THR A 86 26.569 0.177 19.033 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.494 -1.487 19.659 1.00 0.00 H new ATOM 1252 N SER A 87 29.492 -3.261 19.468 1.00 0.00 N ATOM 1253 CA SER A 87 29.332 -4.683 19.219 1.00 0.00 C ATOM 1254 C SER A 87 28.624 -5.254 20.439 1.00 0.00 C ATOM 1255 O SER A 87 29.006 -4.967 21.575 1.00 0.00 O ATOM 1256 CB SER A 87 30.695 -5.337 18.975 1.00 0.00 C ATOM 1257 OG SER A 87 31.350 -4.727 17.873 1.00 0.00 O ATOM 0 H SER A 87 30.012 -3.061 20.322 1.00 0.00 H new ATOM 0 HA SER A 87 28.743 -4.878 18.323 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.313 -5.247 19.868 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.565 -6.402 18.784 1.00 0.00 H new ATOM 0 HG SER A 87 32.220 -5.155 17.732 1.00 0.00 H new ATOM 1263 N ILE A 88 27.566 -6.021 20.199 1.00 0.00 N ATOM 1264 CA ILE A 88 26.633 -6.485 21.206 1.00 0.00 C ATOM 1265 C ILE A 88 26.381 -7.955 20.887 1.00 0.00 C ATOM 1266 O ILE A 88 25.949 -8.294 19.778 1.00 0.00 O ATOM 1267 CB ILE A 88 25.341 -5.634 21.159 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.624 -4.112 21.207 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.421 -6.056 22.312 1.00 0.00 C ATOM 1270 CD1 ILE A 88 24.360 -3.248 21.187 1.00 0.00 C ATOM 0 H ILE A 88 27.331 -6.346 19.261 1.00 0.00 H new ATOM 0 HA ILE A 88 27.019 -6.383 22.220 1.00 0.00 H new ATOM 0 HB ILE A 88 24.850 -5.819 20.204 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.193 -3.886 22.109 1.00 0.00 H new ATOM 0 HG13 ILE A 88 26.251 -3.841 20.358 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.508 -5.461 22.286 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.169 -7.111 22.209 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.931 -5.896 23.262 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.639 -2.195 21.223 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.800 -3.444 20.273 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.741 -3.489 22.051 1.00 0.00 H new ATOM 1282 N SER A 89 26.669 -8.823 21.851 1.00 0.00 N ATOM 1283 CA SER A 89 26.688 -10.261 21.666 1.00 0.00 C ATOM 1284 C SER A 89 26.050 -10.946 22.874 1.00 0.00 C ATOM 1285 O SER A 89 26.068 -10.402 23.982 1.00 0.00 O ATOM 1286 CB SER A 89 28.144 -10.712 21.491 1.00 0.00 C ATOM 1287 OG SER A 89 28.724 -10.166 20.309 1.00 0.00 O ATOM 0 H SER A 89 26.900 -8.535 22.802 1.00 0.00 H new ATOM 0 HA SER A 89 26.116 -10.536 20.780 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.728 -10.405 22.359 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.186 -11.800 21.448 1.00 0.00 H new ATOM 0 HG SER A 89 29.652 -10.472 20.228 1.00 0.00 H new ATOM 1293 N GLY A 90 25.525 -12.155 22.671 1.00 0.00 N ATOM 1294 CA GLY A 90 25.071 -13.035 23.742 1.00 0.00 C ATOM 1295 C GLY A 90 25.849 -14.351 23.646 1.00 0.00 C ATOM 1296 O GLY A 90 26.964 -14.405 24.171 1.00 0.00 O ATOM 0 H GLY A 90 25.402 -12.555 21.741 1.00 0.00 H new ATOM 0 HA2 GLY A 90 25.235 -12.567 24.713 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.000 -13.220 23.654 1.00 0.00 H new ATOM 1300 N PRO A 91 25.350 -15.378 22.932 1.00 0.00 N ATOM 1301 CA PRO A 91 24.009 -15.457 22.363 1.00 0.00 C ATOM 1302 C PRO A 91 22.946 -15.618 23.464 1.00 0.00 C ATOM 1303 O PRO A 91 23.260 -15.969 24.605 1.00 0.00 O ATOM 1304 CB PRO A 91 24.046 -16.668 21.423 1.00 0.00 C ATOM 1305 CG PRO A 91 25.071 -17.591 22.079 1.00 0.00 C ATOM 1306 CD PRO A 91 26.080 -16.612 22.677 1.00 0.00 C ATOM 0 HA PRO A 91 23.735 -14.547 21.829 1.00 0.00 H new ATOM 0 HB2 PRO A 91 23.069 -17.145 21.342 1.00 0.00 H new ATOM 0 HB3 PRO A 91 24.347 -16.385 20.414 1.00 0.00 H new ATOM 0 HG2 PRO A 91 24.616 -18.220 22.844 1.00 0.00 H new ATOM 0 HG3 PRO A 91 25.537 -18.258 21.353 1.00 0.00 H new ATOM 0 HD2 PRO A 91 26.507 -17.008 23.598 1.00 0.00 H new ATOM 0 HD3 PRO A 91 26.908 -16.439 21.990 1.00 0.00 H new ATOM 1314 N GLY A 92 21.683 -15.356 23.121 1.00 0.00 N ATOM 1315 CA GLY A 92 20.564 -15.381 24.059 1.00 0.00 C ATOM 1316 C GLY A 92 20.460 -14.076 24.855 1.00 0.00 C ATOM 1317 O GLY A 92 19.836 -14.053 25.917 1.00 0.00 O ATOM 0 H GLY A 92 21.407 -15.117 22.169 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.636 -15.549 23.513 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.685 -16.218 24.747 1.00 0.00 H new ATOM 1321 N CYS A 93 21.094 -13.002 24.371 1.00 0.00 N ATOM 1322 CA CYS A 93 20.975 -11.671 24.952 1.00 0.00 C ATOM 1323 C CYS A 93 19.588 -11.107 24.646 1.00 0.00 C ATOM 1324 O CYS A 93 18.993 -11.431 23.616 1.00 0.00 O ATOM 1325 CB CYS A 93 22.100 -10.788 24.390 1.00 0.00 C ATOM 1326 SG CYS A 93 21.869 -8.996 24.539 1.00 0.00 S ATOM 0 H CYS A 93 21.708 -13.039 23.558 1.00 0.00 H new ATOM 0 HA CYS A 93 21.080 -11.705 26.036 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.029 -11.056 24.894 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.229 -11.029 23.335 1.00 0.00 H new ATOM 1331 N SER A 94 19.120 -10.211 25.510 1.00 0.00 N ATOM 1332 CA SER A 94 17.837 -9.539 25.416 1.00 0.00 C ATOM 1333 C SER A 94 18.049 -8.076 25.808 1.00 0.00 C ATOM 1334 O SER A 94 18.688 -7.808 26.829 1.00 0.00 O ATOM 1335 CB SER A 94 16.872 -10.233 26.379 1.00 0.00 C ATOM 1336 OG SER A 94 16.557 -11.540 25.924 1.00 0.00 O ATOM 0 H SER A 94 19.653 -9.924 26.331 1.00 0.00 H new ATOM 0 HA SER A 94 17.422 -9.581 24.409 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.318 -10.287 27.372 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.959 -9.646 26.471 1.00 0.00 H new ATOM 0 HG SER A 94 15.940 -11.966 26.555 1.00 0.00 H new ATOM 1342 N ILE A 95 17.535 -7.136 25.015 1.00 0.00 N ATOM 1343 CA ILE A 95 17.652 -5.697 25.238 1.00 0.00 C ATOM 1344 C ILE A 95 16.292 -5.069 24.921 1.00 0.00 C ATOM 1345 O ILE A 95 15.663 -5.422 23.919 1.00 0.00 O ATOM 1346 CB ILE A 95 18.787 -5.094 24.366 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.129 -5.814 24.635 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.908 -3.570 24.580 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.373 -5.174 24.012 1.00 0.00 C ATOM 0 H ILE A 95 17.008 -7.364 24.172 1.00 0.00 H new ATOM 0 HA ILE A 95 17.919 -5.487 26.274 1.00 0.00 H new ATOM 0 HB ILE A 95 18.529 -5.254 23.319 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.277 -5.873 25.713 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.049 -6.837 24.268 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.711 -3.178 23.956 1.00 0.00 H new ATOM 0 HG22 ILE A 95 17.969 -3.089 24.308 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.130 -3.366 25.628 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.253 -5.765 24.268 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.261 -5.140 22.928 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.492 -4.161 24.396 1.00 0.00 H new ATOM 1361 N SER A 96 15.867 -4.100 25.730 1.00 0.00 N ATOM 1362 CA SER A 96 14.624 -3.376 25.517 1.00 0.00 C ATOM 1363 C SER A 96 14.833 -1.901 25.842 1.00 0.00 C ATOM 1364 O SER A 96 15.533 -1.569 26.806 1.00 0.00 O ATOM 1365 CB SER A 96 13.512 -3.958 26.399 1.00 0.00 C ATOM 1366 OG SER A 96 13.327 -5.347 26.172 1.00 0.00 O ATOM 0 H SER A 96 16.382 -3.796 26.556 1.00 0.00 H new ATOM 0 HA SER A 96 14.326 -3.477 24.473 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.756 -3.791 27.448 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.579 -3.431 26.201 1.00 0.00 H new ATOM 0 HG SER A 96 12.612 -5.681 26.753 1.00 0.00 H new ATOM 1372 N THR A 97 14.177 -1.043 25.053 1.00 0.00 N ATOM 1373 CA THR A 97 14.036 0.399 25.268 1.00 0.00 C ATOM 1374 C THR A 97 15.363 1.095 25.629 1.00 0.00 C ATOM 1375 O THR A 97 15.385 2.021 26.441 1.00 0.00 O ATOM 1376 CB THR A 97 12.867 0.667 26.248 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.891 -0.187 27.377 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.507 0.434 25.588 1.00 0.00 C ATOM 0 H THR A 97 13.706 -1.353 24.203 1.00 0.00 H new ATOM 0 HA THR A 97 13.770 0.872 24.322 1.00 0.00 H new ATOM 0 HB THR A 97 12.999 1.707 26.547 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.434 0.220 28.084 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.714 0.633 26.309 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.397 1.103 24.734 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.439 -0.600 25.250 1.00 0.00 H new ATOM 1386 N CYS A 98 16.481 0.639 25.054 1.00 0.00 N ATOM 1387 CA CYS A 98 17.816 1.050 25.457 1.00 0.00 C ATOM 1388 C CYS A 98 18.432 2.034 24.461 1.00 0.00 C ATOM 1389 O CYS A 98 18.025 2.119 23.303 1.00 0.00 O ATOM 1390 CB CYS A 98 18.696 -0.197 25.628 1.00 0.00 C ATOM 1391 SG CYS A 98 20.253 0.117 26.502 1.00 0.00 S ATOM 0 H CYS A 98 16.476 -0.034 24.287 1.00 0.00 H new ATOM 0 HA CYS A 98 17.749 1.576 26.409 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.132 -0.956 26.171 1.00 0.00 H new ATOM 0 HB3 CYS A 98 18.920 -0.609 24.644 1.00 0.00 H new ATOM 1396 N THR A 99 19.472 2.732 24.908 1.00 0.00 N ATOM 1397 CA THR A 99 20.315 3.591 24.099 1.00 0.00 C ATOM 1398 C THR A 99 21.743 3.158 24.414 1.00 0.00 C ATOM 1399 O THR A 99 22.087 3.000 25.591 1.00 0.00 O ATOM 1400 CB THR A 99 20.062 5.055 24.484 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.684 5.375 24.394 1.00 0.00 O ATOM 1402 CG2 THR A 99 20.832 6.036 23.594 1.00 0.00 C ATOM 0 H THR A 99 19.758 2.710 25.887 1.00 0.00 H new ATOM 0 HA THR A 99 20.115 3.509 23.031 1.00 0.00 H new ATOM 0 HB THR A 99 20.412 5.156 25.511 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.549 6.312 24.646 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.618 7.057 23.908 1.00 0.00 H new ATOM 0 HG22 THR A 99 21.902 5.845 23.683 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.525 5.904 22.556 1.00 0.00 H new ATOM 1410 N ILE A 100 22.549 2.924 23.380 1.00 0.00 N ATOM 1411 CA ILE A 100 23.899 2.392 23.499 1.00 0.00 C ATOM 1412 C ILE A 100 24.750 3.141 22.475 1.00 0.00 C ATOM 1413 O ILE A 100 24.290 3.424 21.366 1.00 0.00 O ATOM 1414 CB ILE A 100 23.913 0.855 23.256 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.799 0.123 24.049 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.299 0.277 23.607 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.684 -1.386 23.826 1.00 0.00 C ATOM 0 H ILE A 100 22.272 3.104 22.415 1.00 0.00 H new ATOM 0 HA ILE A 100 24.298 2.538 24.503 1.00 0.00 H new ATOM 0 HB ILE A 100 23.710 0.688 22.198 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.964 0.300 25.112 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.842 0.580 23.795 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.299 -0.799 23.434 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.058 0.745 22.980 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.521 0.476 24.655 1.00 0.00 H new ATOM 0 HD11 ILE A 100 21.871 -1.783 24.434 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.480 -1.584 22.774 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.619 -1.868 24.111 1.00 0.00 H new ATOM 1429 N THR A 101 25.994 3.463 22.805 1.00 0.00 N ATOM 1430 CA THR A 101 26.965 4.007 21.869 1.00 0.00 C ATOM 1431 C THR A 101 28.351 3.560 22.335 1.00 0.00 C ATOM 1432 O THR A 101 28.655 3.655 23.524 1.00 0.00 O ATOM 1433 CB THR A 101 26.821 5.541 21.807 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.544 5.894 21.304 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.866 6.216 20.910 1.00 0.00 C ATOM 0 H THR A 101 26.362 3.351 23.750 1.00 0.00 H new ATOM 0 HA THR A 101 26.803 3.640 20.855 1.00 0.00 H new ATOM 0 HB THR A 101 26.965 5.889 22.830 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.019 5.082 21.146 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.706 7.294 20.913 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.865 5.997 21.287 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.771 5.838 19.892 1.00 0.00 H new ATOM 1443 N ARG A 102 29.195 3.083 21.407 1.00 0.00 N ATOM 1444 CA ARG A 102 30.604 2.728 21.644 1.00 0.00 C ATOM 1445 C ARG A 102 30.820 1.940 22.947 1.00 0.00 C ATOM 1446 O ARG A 102 31.724 2.243 23.726 1.00 0.00 O ATOM 1447 CB ARG A 102 31.483 3.991 21.529 1.00 0.00 C ATOM 1448 CG ARG A 102 31.463 4.580 20.107 1.00 0.00 C ATOM 1449 CD ARG A 102 32.363 5.816 20.002 1.00 0.00 C ATOM 1450 NE ARG A 102 32.371 6.353 18.628 1.00 0.00 N ATOM 1451 CZ ARG A 102 31.525 7.258 18.115 1.00 0.00 C ATOM 1452 NH1 ARG A 102 30.567 7.800 18.866 1.00 0.00 N ATOM 1453 NH2 ARG A 102 31.641 7.616 16.841 1.00 0.00 N ATOM 0 H ARG A 102 28.907 2.929 20.441 1.00 0.00 H new ATOM 0 HA ARG A 102 30.918 2.032 20.866 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.133 4.742 22.237 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.508 3.745 21.805 1.00 0.00 H new ATOM 0 HG2 ARG A 102 31.794 3.825 19.394 1.00 0.00 H new ATOM 0 HG3 ARG A 102 30.442 4.848 19.837 1.00 0.00 H new ATOM 0 HD2 ARG A 102 32.014 6.583 20.693 1.00 0.00 H new ATOM 0 HD3 ARG A 102 33.379 5.556 20.300 1.00 0.00 H new ATOM 0 HE ARG A 102 33.095 5.999 18.003 1.00 0.00 H new ATOM 0 HH11 ARG A 102 30.470 7.528 19.844 1.00 0.00 H new ATOM 0 HH12 ARG A 102 29.930 8.487 18.463 1.00 0.00 H new ATOM 0 HH21 ARG A 102 32.370 7.203 16.260 1.00 0.00 H new ATOM 0 HH22 ARG A 102 31.001 8.304 16.444 1.00 0.00 H new ATOM 1467 N GLY A 103 29.986 0.924 23.193 1.00 0.00 N ATOM 1468 CA GLY A 103 30.157 0.005 24.315 1.00 0.00 C ATOM 1469 C GLY A 103 29.686 0.573 25.655 1.00 0.00 C ATOM 1470 O GLY A 103 29.938 -0.052 26.687 1.00 0.00 O ATOM 0 H GLY A 103 29.171 0.718 22.615 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.608 -0.914 24.107 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.210 -0.264 24.395 1.00 0.00 H new ATOM 1474 N VAL A 104 29.001 1.719 25.666 1.00 0.00 N ATOM 1475 CA VAL A 104 28.427 2.335 26.858 1.00 0.00 C ATOM 1476 C VAL A 104 26.917 2.403 26.623 1.00 0.00 C ATOM 1477 O VAL A 104 26.474 2.728 25.521 1.00 0.00 O ATOM 1478 CB VAL A 104 29.068 3.723 27.095 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.545 4.373 28.387 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.601 3.638 27.195 1.00 0.00 C ATOM 0 H VAL A 104 28.827 2.258 24.818 1.00 0.00 H new ATOM 0 HA VAL A 104 28.626 1.760 27.762 1.00 0.00 H new ATOM 0 HB VAL A 104 28.791 4.330 26.233 1.00 0.00 H new ATOM 0 HG11 VAL A 104 29.017 5.346 28.521 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.465 4.500 28.319 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.783 3.734 29.238 1.00 0.00 H new ATOM 0 HG21 VAL A 104 31.011 4.634 27.361 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.876 2.989 28.027 1.00 0.00 H new ATOM 0 HG23 VAL A 104 31.004 3.230 26.268 1.00 0.00 H new ATOM 1490 N ALA A 105 26.127 2.077 27.646 1.00 0.00 N ATOM 1491 CA ALA A 105 24.676 1.946 27.587 1.00 0.00 C ATOM 1492 C ALA A 105 24.030 2.637 28.793 1.00 0.00 C ATOM 1493 O ALA A 105 24.718 3.068 29.721 1.00 0.00 O ATOM 1494 CB ALA A 105 24.319 0.451 27.583 1.00 0.00 C ATOM 0 H ALA A 105 26.499 1.890 28.577 1.00 0.00 H new ATOM 0 HA ALA A 105 24.301 2.421 26.680 1.00 0.00 H new ATOM 0 HB1 ALA A 105 23.236 0.336 27.539 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.770 -0.029 26.715 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.697 -0.016 28.493 1.00 0.00 H new ATOM 1500 N THR A 106 22.695 2.663 28.806 1.00 0.00 N ATOM 1501 CA THR A 106 21.890 3.096 29.950 1.00 0.00 C ATOM 1502 C THR A 106 22.053 4.600 30.283 1.00 0.00 C ATOM 1503 O THR A 106 22.227 4.952 31.450 1.00 0.00 O ATOM 1504 CB THR A 106 22.102 2.133 31.153 1.00 0.00 C ATOM 1505 OG1 THR A 106 22.129 0.784 30.718 1.00 0.00 O ATOM 1506 CG2 THR A 106 21.005 2.200 32.229 1.00 0.00 C ATOM 0 H THR A 106 22.132 2.378 28.005 1.00 0.00 H new ATOM 0 HA THR A 106 20.838 3.021 29.675 1.00 0.00 H new ATOM 0 HB THR A 106 23.047 2.462 31.586 1.00 0.00 H new ATOM 0 HG1 THR A 106 21.412 0.636 30.067 1.00 0.00 H new ATOM 0 HG21 THR A 106 21.236 1.495 33.028 1.00 0.00 H new ATOM 0 HG22 THR A 106 20.957 3.209 32.638 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.043 1.943 31.785 1.00 0.00 H new ATOM 1514 N PRO A 107 21.975 5.532 29.305 1.00 0.00 N ATOM 1515 CA PRO A 107 21.884 6.962 29.602 1.00 0.00 C ATOM 1516 C PRO A 107 20.458 7.364 30.041 1.00 0.00 C ATOM 1517 O PRO A 107 20.163 8.546 30.225 1.00 0.00 O ATOM 1518 CB PRO A 107 22.311 7.660 28.308 1.00 0.00 C ATOM 1519 CG PRO A 107 21.731 6.732 27.245 1.00 0.00 C ATOM 1520 CD PRO A 107 21.912 5.342 27.861 1.00 0.00 C ATOM 0 HA PRO A 107 22.521 7.248 30.439 1.00 0.00 H new ATOM 0 HB2 PRO A 107 21.905 8.669 28.235 1.00 0.00 H new ATOM 0 HB3 PRO A 107 23.395 7.746 28.228 1.00 0.00 H new ATOM 0 HG2 PRO A 107 20.682 6.952 27.047 1.00 0.00 H new ATOM 0 HG3 PRO A 107 22.260 6.825 26.297 1.00 0.00 H new ATOM 0 HD2 PRO A 107 21.083 4.688 27.592 1.00 0.00 H new ATOM 0 HD3 PRO A 107 22.823 4.870 27.492 1.00 0.00 H new ATOM 1528 N ALA A 108 19.577 6.373 30.185 1.00 0.00 N ATOM 1529 CA ALA A 108 18.172 6.465 30.540 1.00 0.00 C ATOM 1530 C ALA A 108 17.813 5.191 31.301 1.00 0.00 C ATOM 1531 O ALA A 108 18.259 4.103 30.919 1.00 0.00 O ATOM 1532 CB ALA A 108 17.327 6.534 29.260 1.00 0.00 C ATOM 0 H ALA A 108 19.860 5.403 30.042 1.00 0.00 H new ATOM 0 HA ALA A 108 17.982 7.353 31.143 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.272 6.603 29.524 1.00 0.00 H new ATOM 0 HB2 ALA A 108 17.614 7.412 28.681 1.00 0.00 H new ATOM 0 HB3 ALA A 108 17.494 5.636 28.665 1.00 0.00 H new ATOM 1538 N ALA A 109 16.962 5.310 32.323 1.00 0.00 N ATOM 1539 CA ALA A 109 16.479 4.174 33.106 1.00 0.00 C ATOM 1540 C ALA A 109 15.574 3.237 32.287 1.00 0.00 C ATOM 1541 O ALA A 109 15.333 2.105 32.709 1.00 0.00 O ATOM 1542 CB ALA A 109 15.733 4.691 34.342 1.00 0.00 C ATOM 0 H ALA A 109 16.586 6.207 32.632 1.00 0.00 H new ATOM 0 HA ALA A 109 17.345 3.586 33.411 1.00 0.00 H new ATOM 0 HB1 ALA A 109 15.371 3.846 34.928 1.00 0.00 H new ATOM 0 HB2 ALA A 109 16.409 5.292 34.950 1.00 0.00 H new ATOM 0 HB3 ALA A 109 14.888 5.303 34.027 1.00 0.00 H new ATOM 1548 N ALA A 110 15.072 3.690 31.129 1.00 0.00 N ATOM 1549 CA ALA A 110 14.283 2.866 30.218 1.00 0.00 C ATOM 1550 C ALA A 110 15.096 1.686 29.674 1.00 0.00 C ATOM 1551 O ALA A 110 14.510 0.637 29.393 1.00 0.00 O ATOM 1552 CB ALA A 110 13.769 3.733 29.064 1.00 0.00 C ATOM 0 H ALA A 110 15.206 4.646 30.801 1.00 0.00 H new ATOM 0 HA ALA A 110 13.440 2.453 30.773 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.180 3.120 28.383 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.147 4.535 29.461 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.615 4.162 28.527 1.00 0.00 H new ATOM 1558 N CYS A 111 16.422 1.822 29.550 1.00 0.00 N ATOM 1559 CA CYS A 111 17.261 0.731 29.073 1.00 0.00 C ATOM 1560 C CYS A 111 17.147 -0.471 30.012 1.00 0.00 C ATOM 1561 O CYS A 111 17.298 -0.333 31.229 1.00 0.00 O ATOM 1562 CB CYS A 111 18.725 1.174 28.981 1.00 0.00 C ATOM 1563 SG CYS A 111 19.841 -0.166 28.471 1.00 0.00 S ATOM 0 H CYS A 111 16.930 2.677 29.774 1.00 0.00 H new ATOM 0 HA CYS A 111 16.917 0.446 28.079 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.806 1.997 28.271 1.00 0.00 H new ATOM 0 HB3 CYS A 111 19.045 1.557 29.950 1.00 0.00 H new ATOM 1568 N LYS A 112 16.962 -1.658 29.430 1.00 0.00 N ATOM 1569 CA LYS A 112 17.035 -2.945 30.112 1.00 0.00 C ATOM 1570 C LYS A 112 17.891 -3.850 29.233 1.00 0.00 C ATOM 1571 O LYS A 112 17.722 -3.840 28.012 1.00 0.00 O ATOM 1572 CB LYS A 112 15.617 -3.512 30.296 1.00 0.00 C ATOM 1573 CG LYS A 112 14.798 -2.726 31.340 1.00 0.00 C ATOM 1574 CD LYS A 112 13.316 -3.129 31.374 1.00 0.00 C ATOM 1575 CE LYS A 112 12.541 -2.705 30.113 1.00 0.00 C ATOM 1576 NZ LYS A 112 12.405 -1.232 29.983 1.00 0.00 N ATOM 0 H LYS A 112 16.750 -1.749 28.436 1.00 0.00 H new ATOM 0 HA LYS A 112 17.476 -2.859 31.105 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.095 -3.493 29.340 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.683 -4.556 30.602 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.233 -2.883 32.327 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.873 -1.660 31.124 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.243 -4.210 31.490 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.845 -2.682 32.249 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.050 -3.096 29.232 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.549 -3.155 30.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.464 -0.965 28.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.486 -0.933 30.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.170 -0.765 30.511 1.00 0.00 H new ATOM 1590 N ILE A 113 18.800 -4.611 29.840 1.00 0.00 N ATOM 1591 CA ILE A 113 19.714 -5.545 29.184 1.00 0.00 C ATOM 1592 C ILE A 113 19.745 -6.786 30.081 1.00 0.00 C ATOM 1593 O ILE A 113 19.807 -6.654 31.309 1.00 0.00 O ATOM 1594 CB ILE A 113 21.131 -4.918 29.027 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.142 -3.780 27.983 1.00 0.00 C ATOM 1596 CG2 ILE A 113 22.178 -5.970 28.604 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.394 -2.892 28.013 1.00 0.00 C ATOM 0 H ILE A 113 18.925 -4.592 30.852 1.00 0.00 H new ATOM 0 HA ILE A 113 19.384 -5.795 28.175 1.00 0.00 H new ATOM 0 HB ILE A 113 21.390 -4.517 30.007 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.047 -4.217 26.989 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.265 -3.153 28.141 1.00 0.00 H new ATOM 0 HG21 ILE A 113 23.153 -5.493 28.505 1.00 0.00 H new ATOM 0 HG22 ILE A 113 22.232 -6.754 29.360 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.889 -6.407 27.648 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.312 -2.122 27.246 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.483 -2.421 28.992 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.277 -3.502 27.822 1.00 0.00 H new ATOM 1609 N SER A 114 19.768 -7.971 29.470 1.00 0.00 N ATOM 1610 CA SER A 114 19.943 -9.252 30.139 1.00 0.00 C ATOM 1611 C SER A 114 20.797 -10.157 29.246 1.00 0.00 C ATOM 1612 O SER A 114 20.674 -10.121 28.019 1.00 0.00 O ATOM 1613 CB SER A 114 18.573 -9.902 30.397 1.00 0.00 C ATOM 1614 OG SER A 114 17.703 -9.048 31.129 1.00 0.00 O ATOM 0 H SER A 114 19.661 -8.064 28.460 1.00 0.00 H new ATOM 0 HA SER A 114 20.440 -9.106 31.098 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.110 -10.160 29.445 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.712 -10.833 30.946 1.00 0.00 H new ATOM 0 HG SER A 114 16.844 -9.499 31.269 1.00 0.00 H new ATOM 1620 N GLY A 115 21.646 -10.983 29.869 1.00 0.00 N ATOM 1621 CA GLY A 115 22.397 -12.046 29.207 1.00 0.00 C ATOM 1622 C GLY A 115 23.332 -11.562 28.097 1.00 0.00 C ATOM 1623 O GLY A 115 23.545 -12.304 27.137 1.00 0.00 O ATOM 0 H GLY A 115 21.831 -10.926 30.870 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.985 -12.578 29.954 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.693 -12.763 28.785 1.00 0.00 H new ATOM 1627 N CYS A 116 23.861 -10.335 28.188 1.00 0.00 N ATOM 1628 CA CYS A 116 24.587 -9.697 27.094 1.00 0.00 C ATOM 1629 C CYS A 116 26.028 -9.349 27.463 1.00 0.00 C ATOM 1630 O CYS A 116 26.381 -9.255 28.643 1.00 0.00 O ATOM 1631 CB CYS A 116 23.834 -8.431 26.678 1.00 0.00 C ATOM 1632 SG CYS A 116 23.709 -8.227 24.894 1.00 0.00 S ATOM 0 H CYS A 116 23.795 -9.759 29.027 1.00 0.00 H new ATOM 0 HA CYS A 116 24.640 -10.406 26.268 1.00 0.00 H new ATOM 0 HB2 CYS A 116 22.831 -8.457 27.104 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.338 -7.562 27.101 1.00 0.00 H new ATOM 1637 N SER A 117 26.824 -9.075 26.431 1.00 0.00 N ATOM 1638 CA SER A 117 28.182 -8.561 26.491 1.00 0.00 C ATOM 1639 C SER A 117 28.269 -7.456 25.438 1.00 0.00 C ATOM 1640 O SER A 117 27.747 -7.617 24.330 1.00 0.00 O ATOM 1641 CB SER A 117 29.180 -9.692 26.202 1.00 0.00 C ATOM 1642 OG SER A 117 29.028 -10.763 27.124 1.00 0.00 O ATOM 0 H SER A 117 26.513 -9.217 25.470 1.00 0.00 H new ATOM 0 HA SER A 117 28.427 -8.166 27.477 1.00 0.00 H new ATOM 0 HB2 SER A 117 29.032 -10.060 25.187 1.00 0.00 H new ATOM 0 HB3 SER A 117 30.197 -9.305 26.256 1.00 0.00 H new ATOM 0 HG SER A 117 29.675 -11.469 26.915 1.00 0.00 H new ATOM 1648 N LEU A 118 28.870 -6.319 25.794 1.00 0.00 N ATOM 1649 CA LEU A 118 28.892 -5.104 24.982 1.00 0.00 C ATOM 1650 C LEU A 118 30.342 -4.635 24.860 1.00 0.00 C ATOM 1651 O LEU A 118 31.104 -4.732 25.828 1.00 0.00 O ATOM 1652 CB LEU A 118 28.055 -3.982 25.633 1.00 0.00 C ATOM 1653 CG LEU A 118 26.520 -4.071 25.499 1.00 0.00 C ATOM 1654 CD1 LEU A 118 25.860 -5.179 26.329 1.00 0.00 C ATOM 1655 CD2 LEU A 118 25.920 -2.732 25.946 1.00 0.00 C ATOM 0 H LEU A 118 29.368 -6.217 26.679 1.00 0.00 H new ATOM 0 HA LEU A 118 28.465 -5.324 24.003 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.299 -3.953 26.695 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.376 -3.032 25.206 1.00 0.00 H new ATOM 0 HG LEU A 118 26.323 -4.308 24.453 1.00 0.00 H new ATOM 0 HD11 LEU A 118 24.782 -5.161 26.168 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.256 -6.147 26.024 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.072 -5.017 27.386 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.834 -2.773 25.859 1.00 0.00 H new ATOM 0 HD22 LEU A 118 26.194 -2.539 26.983 1.00 0.00 H new ATOM 0 HD23 LEU A 118 26.305 -1.932 25.314 1.00 0.00 H new ATOM 1667 N SER A 119 30.699 -4.078 23.704 1.00 0.00 N ATOM 1668 CA SER A 119 32.030 -3.563 23.396 1.00 0.00 C ATOM 1669 C SER A 119 31.907 -2.372 22.440 1.00 0.00 C ATOM 1670 O SER A 119 30.886 -2.204 21.764 1.00 0.00 O ATOM 1671 CB SER A 119 32.876 -4.671 22.742 1.00 0.00 C ATOM 1672 OG SER A 119 32.898 -5.870 23.505 1.00 0.00 O ATOM 0 H SER A 119 30.045 -3.970 22.929 1.00 0.00 H new ATOM 0 HA SER A 119 32.516 -3.239 24.316 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.481 -4.885 21.749 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.896 -4.312 22.609 1.00 0.00 H new ATOM 0 HG SER A 119 33.446 -6.540 23.046 1.00 0.00 H new ATOM 1678 N ALA A 120 32.941 -1.533 22.373 1.00 0.00 N ATOM 1679 CA ALA A 120 33.035 -0.496 21.354 1.00 0.00 C ATOM 1680 C ALA A 120 33.403 -1.127 20.006 1.00 0.00 C ATOM 1681 O ALA A 120 34.037 -2.186 19.959 1.00 0.00 O ATOM 1682 CB ALA A 120 34.093 0.534 21.762 1.00 0.00 C ATOM 0 H ALA A 120 33.730 -1.555 23.020 1.00 0.00 H new ATOM 0 HA ALA A 120 32.072 0.005 21.258 1.00 0.00 H new ATOM 0 HB1 ALA A 120 34.161 1.308 20.998 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.812 0.987 22.713 1.00 0.00 H new ATOM 0 HB3 ALA A 120 35.060 0.041 21.866 1.00 0.00 H new ATOM 1688 N MET A 121 33.026 -0.454 18.917 1.00 0.00 N ATOM 1689 CA MET A 121 33.473 -0.777 17.567 1.00 0.00 C ATOM 1690 C MET A 121 35.001 -0.727 17.529 1.00 0.00 C ATOM 1691 O MET A 121 35.589 0.265 18.014 1.00 0.00 O ATOM 1692 CB MET A 121 32.830 0.215 16.589 1.00 0.00 C ATOM 1693 CG MET A 121 33.345 0.089 15.153 1.00 0.00 C ATOM 1694 SD MET A 121 32.540 1.234 14.001 1.00 0.00 S ATOM 1695 CE MET A 121 33.376 0.748 12.467 1.00 0.00 C ATOM 1696 OXT MET A 121 35.618 -1.684 17.016 1.00 0.00 O ATOM 0 H MET A 121 32.391 0.343 18.953 1.00 0.00 H new ATOM 0 HA MET A 121 33.168 -1.781 17.273 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.750 0.066 16.592 1.00 0.00 H new ATOM 0 HB3 MET A 121 33.013 1.230 16.943 1.00 0.00 H new ATOM 0 HG2 MET A 121 34.420 0.270 15.142 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.190 -0.933 14.807 1.00 0.00 H new ATOM 0 HE1 MET A 121 33.003 1.354 11.641 1.00 0.00 H new ATOM 0 HE2 MET A 121 34.450 0.902 12.573 1.00 0.00 H new ATOM 0 HE3 MET A 121 33.179 -0.304 12.263 1.00 0.00 H new TER 1706 MET A 121