USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 36 GLN : amide:sc= -0.89! C(o=-2.3!,f=-8.3!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.41 K(o=-2.3,f=-10!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.932 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.999 K(o=1.9,f=1.4) USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.0445 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 49:sc= 1.19 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 10 SER OG : rot -160:sc= -0.393 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.34 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.7) USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.404 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.843! USER MOD Single : A 42 THR OG1 : rot 92:sc= 0.0425 USER MOD Single : A 53 SER OG : rot -1:sc= 0.306 USER MOD Single : A 54 SER OG : rot -67:sc= 0.761 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0268 K(o=-0.027,f=-0.87) USER MOD Single : A 62 SER OG : rot 57:sc= 0.669 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 127:sc= 1.2 USER MOD Single : A 72 SER OG : rot -89:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00324 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00419 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0515 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.831 4.840 15.327 1.00 0.00 N ATOM 2 CA ALA A 1 -17.232 3.442 15.061 1.00 0.00 C ATOM 3 C ALA A 1 -16.018 2.610 14.681 1.00 0.00 C ATOM 4 O ALA A 1 -15.101 3.109 14.026 1.00 0.00 O ATOM 5 CB ALA A 1 -18.274 3.388 13.958 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.544 5.487 14.933 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.757 4.991 16.353 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.910 5.028 14.882 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.670 3.028 15.970 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.557 2.351 13.776 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.153 3.957 14.260 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.860 3.817 13.045 1.00 0.00 H new ATOM 11 N ALA A 2 -16.019 1.349 15.095 1.00 0.00 N ATOM 12 CA ALA A 2 -14.921 0.442 14.803 1.00 0.00 C ATOM 13 C ALA A 2 -14.980 -0.025 13.351 1.00 0.00 C ATOM 14 O ALA A 2 -15.919 -0.714 12.952 1.00 0.00 O ATOM 15 CB ALA A 2 -14.959 -0.747 15.749 1.00 0.00 C ATOM 0 H ALA A 2 -16.775 0.931 15.638 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.981 0.975 14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.132 -1.420 15.521 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.869 -0.397 16.777 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.903 -1.278 15.628 1.00 0.00 H new ATOM 21 N PRO A 3 -13.979 0.348 12.543 1.00 0.00 N ATOM 22 CA PRO A 3 -13.926 -0.022 11.128 1.00 0.00 C ATOM 23 C PRO A 3 -13.549 -1.486 10.917 1.00 0.00 C ATOM 24 O PRO A 3 -13.119 -2.172 11.845 1.00 0.00 O ATOM 25 CB PRO A 3 -12.839 0.894 10.567 1.00 0.00 C ATOM 26 CG PRO A 3 -11.939 1.165 11.724 1.00 0.00 C ATOM 27 CD PRO A 3 -12.813 1.158 12.948 1.00 0.00 C ATOM 0 HA PRO A 3 -14.896 0.090 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.300 0.415 9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.264 1.816 10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.161 0.406 11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.437 2.126 11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.299 0.720 13.804 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.107 2.167 13.235 1.00 0.00 H new ATOM 35 N THR A 4 -13.718 -1.956 9.695 1.00 0.00 N ATOM 36 CA THR A 4 -13.395 -3.327 9.351 1.00 0.00 C ATOM 37 C THR A 4 -12.326 -3.355 8.263 1.00 0.00 C ATOM 38 O THR A 4 -12.619 -3.162 7.083 1.00 0.00 O ATOM 39 CB THR A 4 -14.645 -4.080 8.865 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.810 -3.557 9.525 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.523 -5.568 9.149 1.00 0.00 C ATOM 0 H THR A 4 -14.080 -1.402 8.919 1.00 0.00 H new ATOM 0 HA THR A 4 -13.017 -3.821 10.246 1.00 0.00 H new ATOM 0 HB THR A 4 -14.737 -3.939 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.606 -4.037 9.213 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.418 -6.080 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.650 -5.967 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.413 -5.726 10.222 1.00 0.00 H new ATOM 49 N ALA A 5 -11.085 -3.569 8.666 1.00 0.00 N ATOM 50 CA ALA A 5 -9.976 -3.606 7.723 1.00 0.00 C ATOM 51 C ALA A 5 -9.645 -5.034 7.301 1.00 0.00 C ATOM 52 O ALA A 5 -8.698 -5.640 7.806 1.00 0.00 O ATOM 53 CB ALA A 5 -8.751 -2.934 8.322 1.00 0.00 C ATOM 0 H ALA A 5 -10.818 -3.720 9.639 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.281 -3.059 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.930 -2.969 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.984 -1.895 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.460 -3.455 9.234 1.00 0.00 H new ATOM 59 N THR A 6 -10.423 -5.563 6.369 1.00 0.00 N ATOM 60 CA THR A 6 -10.221 -6.915 5.872 1.00 0.00 C ATOM 61 C THR A 6 -9.111 -6.947 4.823 1.00 0.00 C ATOM 62 O THR A 6 -9.299 -6.505 3.691 1.00 0.00 O ATOM 63 CB THR A 6 -11.523 -7.468 5.265 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.394 -6.381 4.914 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.230 -8.386 6.250 1.00 0.00 C ATOM 0 H THR A 6 -11.206 -5.072 5.939 1.00 0.00 H new ATOM 0 HA THR A 6 -9.927 -7.541 6.715 1.00 0.00 H new ATOM 0 HB THR A 6 -11.271 -8.041 4.373 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.892 -5.711 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.147 -8.765 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.577 -9.222 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.473 -7.830 7.156 1.00 0.00 H new ATOM 73 N VAL A 7 -7.951 -7.454 5.201 1.00 0.00 N ATOM 74 CA VAL A 7 -6.825 -7.521 4.282 1.00 0.00 C ATOM 75 C VAL A 7 -6.273 -8.934 4.192 1.00 0.00 C ATOM 76 O VAL A 7 -6.333 -9.698 5.154 1.00 0.00 O ATOM 77 CB VAL A 7 -5.690 -6.556 4.693 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.102 -5.108 4.463 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.285 -6.778 6.146 1.00 0.00 C ATOM 0 H VAL A 7 -7.763 -7.824 6.133 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.202 -7.219 3.305 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.824 -6.768 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.288 -4.447 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.326 -4.957 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.987 -4.883 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.485 -6.087 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.144 -6.604 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.936 -7.803 6.274 1.00 0.00 H new ATOM 89 N THR A 8 -5.754 -9.278 3.023 1.00 0.00 N ATOM 90 CA THR A 8 -5.181 -10.593 2.790 1.00 0.00 C ATOM 91 C THR A 8 -3.687 -10.474 2.498 1.00 0.00 C ATOM 92 O THR A 8 -3.289 -10.130 1.382 1.00 0.00 O ATOM 93 CB THR A 8 -5.885 -11.300 1.615 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.300 -11.084 1.712 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.597 -12.798 1.612 1.00 0.00 C ATOM 0 H THR A 8 -5.719 -8.657 2.214 1.00 0.00 H new ATOM 0 HA THR A 8 -5.326 -11.189 3.691 1.00 0.00 H new ATOM 0 HB THR A 8 -5.502 -10.881 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.751 -11.531 0.965 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.109 -13.265 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.523 -12.962 1.520 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.953 -13.239 2.543 1.00 0.00 H new ATOM 103 N PRO A 9 -2.844 -10.733 3.507 1.00 0.00 N ATOM 104 CA PRO A 9 -1.394 -10.645 3.362 1.00 0.00 C ATOM 105 C PRO A 9 -0.778 -11.866 2.677 1.00 0.00 C ATOM 106 O PRO A 9 -1.133 -13.011 2.967 1.00 0.00 O ATOM 107 CB PRO A 9 -0.910 -10.536 4.805 1.00 0.00 C ATOM 108 CG PRO A 9 -1.931 -11.267 5.609 1.00 0.00 C ATOM 109 CD PRO A 9 -3.242 -11.125 4.875 1.00 0.00 C ATOM 0 HA PRO A 9 -1.103 -9.808 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.078 -10.979 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.832 -9.495 5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.660 -12.317 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.003 -10.851 6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.803 -12.060 4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.879 -10.371 5.337 1.00 0.00 H new ATOM 117 N SER A 10 0.147 -11.606 1.762 1.00 0.00 N ATOM 118 CA SER A 10 0.836 -12.660 1.032 1.00 0.00 C ATOM 119 C SER A 10 1.998 -13.211 1.858 1.00 0.00 C ATOM 120 O SER A 10 3.156 -13.144 1.454 1.00 0.00 O ATOM 121 CB SER A 10 1.340 -12.108 -0.300 1.00 0.00 C ATOM 122 OG SER A 10 0.388 -11.228 -0.871 1.00 0.00 O ATOM 0 H SER A 10 0.439 -10.663 1.506 1.00 0.00 H new ATOM 0 HA SER A 10 0.141 -13.477 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.283 -11.582 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.541 -12.930 -0.987 1.00 0.00 H new ATOM 0 HG SER A 10 0.563 -11.135 -1.831 1.00 0.00 H new ATOM 128 N SER A 11 1.677 -13.752 3.020 1.00 0.00 N ATOM 129 CA SER A 11 2.676 -14.304 3.920 1.00 0.00 C ATOM 130 C SER A 11 3.111 -15.701 3.476 1.00 0.00 C ATOM 131 O SER A 11 2.330 -16.654 3.528 1.00 0.00 O ATOM 132 CB SER A 11 2.110 -14.343 5.339 1.00 0.00 C ATOM 133 OG SER A 11 1.368 -13.163 5.613 1.00 0.00 O ATOM 0 H SER A 11 0.720 -13.821 3.366 1.00 0.00 H new ATOM 0 HA SER A 11 3.559 -13.665 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.470 -15.217 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.923 -14.443 6.058 1.00 0.00 H new ATOM 0 HG SER A 11 1.011 -13.205 6.525 1.00 0.00 H new ATOM 139 N GLY A 12 4.354 -15.804 3.013 1.00 0.00 N ATOM 140 CA GLY A 12 4.885 -17.077 2.569 1.00 0.00 C ATOM 141 C GLY A 12 4.736 -17.267 1.075 1.00 0.00 C ATOM 142 O GLY A 12 5.056 -18.327 0.538 1.00 0.00 O ATOM 0 H GLY A 12 5.005 -15.022 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.939 -17.143 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.371 -17.885 3.090 1.00 0.00 H new ATOM 146 N LEU A 13 4.257 -16.237 0.399 1.00 0.00 N ATOM 147 CA LEU A 13 4.057 -16.300 -1.038 1.00 0.00 C ATOM 148 C LEU A 13 5.186 -15.572 -1.758 1.00 0.00 C ATOM 149 O LEU A 13 5.858 -14.729 -1.172 1.00 0.00 O ATOM 150 CB LEU A 13 2.695 -15.700 -1.405 1.00 0.00 C ATOM 151 CG LEU A 13 1.512 -16.258 -0.600 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.196 -15.674 -1.082 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.475 -17.773 -0.678 1.00 0.00 C ATOM 0 H LEU A 13 3.999 -15.346 0.823 1.00 0.00 H new ATOM 0 HA LEU A 13 4.068 -17.343 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.738 -14.620 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.510 -15.874 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 13 1.653 -15.966 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.623 -16.088 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.215 -14.590 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.050 -15.924 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.629 -18.147 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.369 -18.081 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.400 -18.181 -0.271 1.00 0.00 H new ATOM 165 N SER A 14 5.402 -15.912 -3.018 1.00 0.00 N ATOM 166 CA SER A 14 6.463 -15.298 -3.803 1.00 0.00 C ATOM 167 C SER A 14 6.024 -13.938 -4.353 1.00 0.00 C ATOM 168 O SER A 14 4.916 -13.468 -4.077 1.00 0.00 O ATOM 169 CB SER A 14 6.859 -16.244 -4.941 1.00 0.00 C ATOM 170 OG SER A 14 6.720 -17.602 -4.543 1.00 0.00 O ATOM 0 H SER A 14 4.856 -16.611 -3.521 1.00 0.00 H new ATOM 0 HA SER A 14 7.327 -15.126 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.235 -16.051 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.890 -16.051 -5.237 1.00 0.00 H new ATOM 0 HG SER A 14 6.977 -18.188 -5.285 1.00 0.00 H new ATOM 176 N ASP A 15 6.899 -13.299 -5.118 1.00 0.00 N ATOM 177 CA ASP A 15 6.590 -12.004 -5.709 1.00 0.00 C ATOM 178 C ASP A 15 5.604 -12.182 -6.851 1.00 0.00 C ATOM 179 O ASP A 15 5.493 -13.268 -7.417 1.00 0.00 O ATOM 180 CB ASP A 15 7.861 -11.308 -6.207 1.00 0.00 C ATOM 181 CG ASP A 15 8.495 -12.006 -7.399 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.210 -13.008 -7.194 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.293 -11.548 -8.542 1.00 0.00 O ATOM 0 H ASP A 15 7.827 -13.656 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 15 6.141 -11.373 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.622 -10.280 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.585 -11.261 -5.394 1.00 0.00 H new ATOM 188 N GLY A 16 4.888 -11.120 -7.180 1.00 0.00 N ATOM 189 CA GLY A 16 3.906 -11.185 -8.245 1.00 0.00 C ATOM 190 C GLY A 16 2.535 -11.569 -7.731 1.00 0.00 C ATOM 191 O GLY A 16 1.559 -11.584 -8.486 1.00 0.00 O ATOM 0 H GLY A 16 4.968 -10.209 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.848 -10.218 -8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.229 -11.910 -8.992 1.00 0.00 H new ATOM 195 N THR A 17 2.463 -11.869 -6.442 1.00 0.00 N ATOM 196 CA THR A 17 1.216 -12.263 -5.808 1.00 0.00 C ATOM 197 C THR A 17 0.254 -11.078 -5.703 1.00 0.00 C ATOM 198 O THR A 17 0.673 -9.927 -5.532 1.00 0.00 O ATOM 199 CB THR A 17 1.475 -12.852 -4.404 1.00 0.00 C ATOM 200 OG1 THR A 17 2.391 -13.949 -4.496 1.00 0.00 O ATOM 201 CG2 THR A 17 0.186 -13.334 -3.759 1.00 0.00 C ATOM 0 H THR A 17 3.264 -11.846 -5.810 1.00 0.00 H new ATOM 0 HA THR A 17 0.758 -13.030 -6.433 1.00 0.00 H new ATOM 0 HB THR A 17 1.899 -12.061 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.303 -13.628 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.404 -13.743 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.507 -12.498 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.265 -14.108 -4.381 1.00 0.00 H new ATOM 209 N VAL A 18 -1.031 -11.371 -5.822 1.00 0.00 N ATOM 210 CA VAL A 18 -2.064 -10.356 -5.746 1.00 0.00 C ATOM 211 C VAL A 18 -2.494 -10.122 -4.300 1.00 0.00 C ATOM 212 O VAL A 18 -3.079 -10.999 -3.662 1.00 0.00 O ATOM 213 CB VAL A 18 -3.291 -10.762 -6.586 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.347 -9.673 -6.564 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.887 -11.080 -8.017 1.00 0.00 C ATOM 0 H VAL A 18 -1.384 -12.316 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.647 -9.431 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.717 -11.661 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.202 -9.984 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.668 -9.498 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.930 -8.754 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.770 -11.364 -8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.428 -10.201 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.173 -11.904 -8.019 1.00 0.00 H new ATOM 225 N VAL A 19 -2.189 -8.940 -3.788 1.00 0.00 N ATOM 226 CA VAL A 19 -2.549 -8.576 -2.426 1.00 0.00 C ATOM 227 C VAL A 19 -3.954 -7.980 -2.406 1.00 0.00 C ATOM 228 O VAL A 19 -4.251 -7.061 -3.172 1.00 0.00 O ATOM 229 CB VAL A 19 -1.554 -7.558 -1.830 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.836 -7.321 -0.354 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.123 -8.031 -2.027 1.00 0.00 C ATOM 0 H VAL A 19 -1.690 -8.212 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.517 -9.481 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.683 -6.613 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.121 -6.600 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.847 -6.932 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.742 -8.261 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.564 -7.300 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.014 -8.991 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.080 -8.141 -3.092 1.00 0.00 H new ATOM 241 N LYS A 20 -4.812 -8.504 -1.541 1.00 0.00 N ATOM 242 CA LYS A 20 -6.189 -8.032 -1.444 1.00 0.00 C ATOM 243 C LYS A 20 -6.373 -7.102 -0.250 1.00 0.00 C ATOM 244 O LYS A 20 -6.064 -7.464 0.889 1.00 0.00 O ATOM 245 CB LYS A 20 -7.145 -9.220 -1.324 1.00 0.00 C ATOM 246 CG LYS A 20 -8.603 -8.853 -1.549 1.00 0.00 C ATOM 247 CD LYS A 20 -9.534 -9.993 -1.167 1.00 0.00 C ATOM 248 CE LYS A 20 -9.281 -11.235 -2.007 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.204 -12.345 -1.650 1.00 0.00 N ATOM 0 H LYS A 20 -4.579 -9.258 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.415 -7.472 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.855 -9.983 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.039 -9.662 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.851 -7.968 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.756 -8.594 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.400 -10.234 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.569 -9.674 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.400 -10.990 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.250 -11.562 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.998 -13.173 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.073 -12.597 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.187 -12.043 -1.805 1.00 0.00 H new ATOM 263 N VAL A 21 -6.871 -5.903 -0.518 1.00 0.00 N ATOM 264 CA VAL A 21 -7.114 -4.917 0.526 1.00 0.00 C ATOM 265 C VAL A 21 -8.565 -4.443 0.468 1.00 0.00 C ATOM 266 O VAL A 21 -8.970 -3.788 -0.491 1.00 0.00 O ATOM 267 CB VAL A 21 -6.163 -3.702 0.395 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.540 -2.603 1.382 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.715 -4.127 0.599 1.00 0.00 C ATOM 0 H VAL A 21 -7.116 -5.588 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.921 -5.395 1.486 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.267 -3.303 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.856 -1.762 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.559 -2.271 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.474 -2.989 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.064 -3.258 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.599 -4.559 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.444 -4.868 -0.153 1.00 0.00 H new ATOM 279 N ALA A 22 -9.346 -4.792 1.483 1.00 0.00 N ATOM 280 CA ALA A 22 -10.749 -4.404 1.537 1.00 0.00 C ATOM 281 C ALA A 22 -11.050 -3.620 2.808 1.00 0.00 C ATOM 282 O ALA A 22 -11.094 -4.183 3.904 1.00 0.00 O ATOM 283 CB ALA A 22 -11.636 -5.634 1.448 1.00 0.00 C ATOM 0 H ALA A 22 -9.030 -5.344 2.281 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.958 -3.757 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.682 -5.332 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.445 -6.153 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.418 -6.301 2.282 1.00 0.00 H new ATOM 289 N GLY A 23 -11.247 -2.322 2.660 1.00 0.00 N ATOM 290 CA GLY A 23 -11.543 -1.491 3.801 1.00 0.00 C ATOM 291 C GLY A 23 -13.020 -1.188 3.907 1.00 0.00 C ATOM 292 O GLY A 23 -13.594 -0.565 3.015 1.00 0.00 O ATOM 0 H GLY A 23 -11.207 -1.829 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.208 -1.990 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.985 -0.558 3.725 1.00 0.00 H new ATOM 296 N ALA A 24 -13.648 -1.653 4.976 1.00 0.00 N ATOM 297 CA ALA A 24 -15.060 -1.405 5.193 1.00 0.00 C ATOM 298 C ALA A 24 -15.249 -0.459 6.371 1.00 0.00 C ATOM 299 O ALA A 24 -14.584 -0.589 7.400 1.00 0.00 O ATOM 300 CB ALA A 24 -15.802 -2.712 5.421 1.00 0.00 C ATOM 0 H ALA A 24 -13.199 -2.205 5.707 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.476 -0.934 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.860 -2.506 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.686 -3.353 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.393 -3.215 6.297 1.00 0.00 H new ATOM 306 N GLY A 25 -16.152 0.491 6.213 1.00 0.00 N ATOM 307 CA GLY A 25 -16.401 1.456 7.261 1.00 0.00 C ATOM 308 C GLY A 25 -15.558 2.697 7.082 1.00 0.00 C ATOM 309 O GLY A 25 -15.252 3.397 8.045 1.00 0.00 O ATOM 0 H GLY A 25 -16.720 0.613 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.456 1.729 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.187 1.006 8.230 1.00 0.00 H new ATOM 313 N LEU A 26 -15.190 2.966 5.837 1.00 0.00 N ATOM 314 CA LEU A 26 -14.370 4.121 5.505 1.00 0.00 C ATOM 315 C LEU A 26 -15.255 5.333 5.239 1.00 0.00 C ATOM 316 O LEU A 26 -16.457 5.308 5.522 1.00 0.00 O ATOM 317 CB LEU A 26 -13.509 3.819 4.272 1.00 0.00 C ATOM 318 CG LEU A 26 -12.704 2.517 4.326 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.920 2.322 3.040 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.770 2.501 5.528 1.00 0.00 C ATOM 0 H LEU A 26 -15.450 2.393 5.034 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.715 4.341 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.159 3.787 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.816 4.647 4.124 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.406 1.690 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.354 1.392 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.609 2.277 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.233 3.157 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.211 1.565 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.075 3.338 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.354 2.588 6.444 1.00 0.00 H new ATOM 332 N GLN A 27 -14.670 6.388 4.699 1.00 0.00 N ATOM 333 CA GLN A 27 -15.421 7.594 4.395 1.00 0.00 C ATOM 334 C GLN A 27 -15.785 7.623 2.917 1.00 0.00 C ATOM 335 O GLN A 27 -14.927 7.840 2.059 1.00 0.00 O ATOM 336 CB GLN A 27 -14.618 8.841 4.774 1.00 0.00 C ATOM 337 CG GLN A 27 -15.469 10.096 4.902 1.00 0.00 C ATOM 338 CD GLN A 27 -16.548 9.970 5.965 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.372 9.283 6.974 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.677 10.627 5.742 1.00 0.00 N ATOM 0 H GLN A 27 -13.679 6.434 4.462 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.339 7.590 4.983 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.107 8.661 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.847 9.009 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.826 10.943 5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.936 10.313 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.784 11.185 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.439 10.575 6.418 1.00 0.00 H new ATOM 349 N ALA A 28 -17.060 7.386 2.634 1.00 0.00 N ATOM 350 CA ALA A 28 -17.570 7.367 1.268 1.00 0.00 C ATOM 351 C ALA A 28 -17.204 8.635 0.502 1.00 0.00 C ATOM 352 O ALA A 28 -17.334 9.743 1.020 1.00 0.00 O ATOM 353 CB ALA A 28 -19.079 7.175 1.283 1.00 0.00 C ATOM 0 H ALA A 28 -17.769 7.202 3.344 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.101 6.531 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.454 7.162 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.321 6.231 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.545 7.995 1.830 1.00 0.00 H new ATOM 359 N GLY A 29 -16.718 8.462 -0.723 1.00 0.00 N ATOM 360 CA GLY A 29 -16.359 9.602 -1.545 1.00 0.00 C ATOM 361 C GLY A 29 -14.898 10.000 -1.422 1.00 0.00 C ATOM 362 O GLY A 29 -14.460 10.965 -2.048 1.00 0.00 O ATOM 0 H GLY A 29 -16.567 7.553 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.578 9.372 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.984 10.451 -1.268 1.00 0.00 H new ATOM 366 N THR A 30 -14.142 9.264 -0.622 1.00 0.00 N ATOM 367 CA THR A 30 -12.730 9.556 -0.432 1.00 0.00 C ATOM 368 C THR A 30 -11.864 8.490 -1.101 1.00 0.00 C ATOM 369 O THR A 30 -12.209 7.307 -1.096 1.00 0.00 O ATOM 370 CB THR A 30 -12.379 9.651 1.067 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.420 10.359 1.759 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.048 10.365 1.272 1.00 0.00 C ATOM 0 H THR A 30 -14.483 8.460 -0.094 1.00 0.00 H new ATOM 0 HA THR A 30 -12.527 10.521 -0.897 1.00 0.00 H new ATOM 0 HB THR A 30 -12.290 8.641 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.138 9.736 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.824 10.419 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.257 9.814 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.109 11.374 0.863 1.00 0.00 H new ATOM 380 N ALA A 31 -10.755 8.922 -1.697 1.00 0.00 N ATOM 381 CA ALA A 31 -9.838 8.015 -2.366 1.00 0.00 C ATOM 382 C ALA A 31 -8.763 7.534 -1.406 1.00 0.00 C ATOM 383 O ALA A 31 -8.238 8.307 -0.602 1.00 0.00 O ATOM 384 CB ALA A 31 -9.207 8.688 -3.576 1.00 0.00 C ATOM 0 H ALA A 31 -10.472 9.902 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.405 7.149 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.523 7.993 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.988 8.981 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.657 9.572 -3.255 1.00 0.00 H new ATOM 390 N TYR A 32 -8.459 6.250 -1.477 1.00 0.00 N ATOM 391 CA TYR A 32 -7.444 5.657 -0.625 1.00 0.00 C ATOM 392 C TYR A 32 -6.300 5.110 -1.472 1.00 0.00 C ATOM 393 O TYR A 32 -6.498 4.231 -2.315 1.00 0.00 O ATOM 394 CB TYR A 32 -8.048 4.551 0.246 1.00 0.00 C ATOM 395 CG TYR A 32 -9.048 5.064 1.267 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.360 5.341 0.906 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.676 5.279 2.589 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.271 5.816 1.829 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.583 5.756 3.519 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.878 6.022 3.132 1.00 0.00 C ATOM 401 OH TYR A 32 -11.784 6.498 4.054 1.00 0.00 O ATOM 0 H TYR A 32 -8.904 5.595 -2.120 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.049 6.430 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.539 3.820 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.245 4.029 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.674 5.182 -0.115 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.662 5.070 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.287 6.025 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.277 5.919 4.542 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.347 6.586 4.927 1.00 0.00 H new ATOM 411 N ASP A 33 -5.112 5.657 -1.251 1.00 0.00 N ATOM 412 CA ASP A 33 -3.915 5.249 -1.981 1.00 0.00 C ATOM 413 C ASP A 33 -3.340 3.978 -1.372 1.00 0.00 C ATOM 414 O ASP A 33 -2.933 3.970 -0.208 1.00 0.00 O ATOM 415 CB ASP A 33 -2.869 6.366 -1.942 1.00 0.00 C ATOM 416 CG ASP A 33 -2.254 6.634 -3.297 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.387 5.849 -3.730 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.632 7.644 -3.930 1.00 0.00 O ATOM 0 H ASP A 33 -4.949 6.393 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.186 5.054 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.332 7.280 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.082 6.098 -1.237 1.00 0.00 H new ATOM 423 N VAL A 34 -3.312 2.902 -2.153 1.00 0.00 N ATOM 424 CA VAL A 34 -2.804 1.626 -1.663 1.00 0.00 C ATOM 425 C VAL A 34 -1.618 1.130 -2.491 1.00 0.00 C ATOM 426 O VAL A 34 -1.695 1.054 -3.722 1.00 0.00 O ATOM 427 CB VAL A 34 -3.900 0.534 -1.682 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.468 -0.668 -0.853 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.236 1.082 -1.193 1.00 0.00 C ATOM 0 H VAL A 34 -3.633 2.888 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.480 1.805 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.036 0.210 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.250 -1.427 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.548 -1.082 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.296 -0.357 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.985 0.291 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.128 1.447 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.552 1.901 -1.839 1.00 0.00 H new ATOM 439 N GLY A 35 -0.518 0.814 -1.811 1.00 0.00 N ATOM 440 CA GLY A 35 0.659 0.294 -2.479 1.00 0.00 C ATOM 441 C GLY A 35 1.528 -0.480 -1.507 1.00 0.00 C ATOM 442 O GLY A 35 1.279 -0.453 -0.302 1.00 0.00 O ATOM 0 H GLY A 35 -0.423 0.911 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.359 -0.354 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.231 1.115 -2.911 1.00 0.00 H new ATOM 446 N GLN A 36 2.541 -1.180 -2.001 1.00 0.00 N ATOM 447 CA GLN A 36 3.422 -1.933 -1.114 1.00 0.00 C ATOM 448 C GLN A 36 4.482 -1.003 -0.540 1.00 0.00 C ATOM 449 O GLN A 36 5.671 -1.131 -0.819 1.00 0.00 O ATOM 450 CB GLN A 36 4.068 -3.136 -1.820 1.00 0.00 C ATOM 451 CG GLN A 36 4.759 -2.794 -3.128 1.00 0.00 C ATOM 452 CD GLN A 36 5.690 -3.885 -3.614 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.812 -4.117 -4.814 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.369 -4.545 -2.692 1.00 0.00 N ATOM 0 H GLN A 36 2.772 -1.243 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 36 2.818 -2.338 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.795 -3.591 -1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.300 -3.885 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.004 -2.603 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.326 -1.871 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.239 -4.322 -1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.023 -5.278 -2.967 1.00 0.00 H new ATOM 463 N CYS A 37 4.023 -0.046 0.243 1.00 0.00 N ATOM 464 CA CYS A 37 4.892 0.933 0.870 1.00 0.00 C ATOM 465 C CYS A 37 5.791 0.284 1.918 1.00 0.00 C ATOM 466 O CYS A 37 5.388 0.074 3.062 1.00 0.00 O ATOM 467 CB CYS A 37 4.045 2.045 1.491 1.00 0.00 C ATOM 468 SG CYS A 37 2.467 2.339 0.617 1.00 0.00 S ATOM 0 H CYS A 37 3.035 0.075 0.463 1.00 0.00 H new ATOM 0 HA CYS A 37 5.542 1.363 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.833 1.792 2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.623 2.969 1.500 1.00 0.00 H new ATOM 473 N ALA A 38 7.007 -0.036 1.505 1.00 0.00 N ATOM 474 CA ALA A 38 7.977 -0.666 2.382 1.00 0.00 C ATOM 475 C ALA A 38 8.938 0.358 2.968 1.00 0.00 C ATOM 476 O ALA A 38 8.888 1.546 2.631 1.00 0.00 O ATOM 477 CB ALA A 38 8.739 -1.747 1.628 1.00 0.00 C ATOM 0 H ALA A 38 7.347 0.133 0.558 1.00 0.00 H new ATOM 0 HA ALA A 38 7.439 -1.126 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.464 -2.213 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.039 -2.501 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.260 -1.301 0.781 1.00 0.00 H new ATOM 483 N TRP A 39 9.811 -0.119 3.839 1.00 0.00 N ATOM 484 CA TRP A 39 10.799 0.719 4.503 1.00 0.00 C ATOM 485 C TRP A 39 11.945 1.057 3.551 1.00 0.00 C ATOM 486 O TRP A 39 12.937 0.329 3.473 1.00 0.00 O ATOM 487 CB TRP A 39 11.329 -0.019 5.732 1.00 0.00 C ATOM 488 CG TRP A 39 11.546 0.851 6.930 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.639 1.679 7.525 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.752 0.964 7.693 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.207 2.294 8.614 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.505 1.874 8.736 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.020 0.384 7.594 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.477 2.216 9.673 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.982 0.723 8.523 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.706 1.632 9.552 1.00 0.00 C ATOM 0 H TRP A 39 9.856 -1.102 4.108 1.00 0.00 H new ATOM 0 HA TRP A 39 10.332 1.655 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.628 -0.811 5.995 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.272 -0.501 5.473 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.624 1.829 7.189 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.738 2.956 9.232 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.243 -0.318 6.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.267 2.918 10.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.965 0.280 8.456 1.00 0.00 H new ATOM 0 HH2 TRP A 39 15.480 1.876 10.264 1.00 0.00 H new ATOM 507 N VAL A 40 11.801 2.160 2.827 1.00 0.00 N ATOM 508 CA VAL A 40 12.817 2.585 1.872 1.00 0.00 C ATOM 509 C VAL A 40 14.036 3.172 2.585 1.00 0.00 C ATOM 510 O VAL A 40 15.162 3.077 2.090 1.00 0.00 O ATOM 511 CB VAL A 40 12.251 3.606 0.850 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.711 4.845 1.544 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.305 3.992 -0.177 1.00 0.00 C ATOM 0 H VAL A 40 10.990 2.777 2.883 1.00 0.00 H new ATOM 0 HA VAL A 40 13.130 1.696 1.324 1.00 0.00 H new ATOM 0 HB VAL A 40 11.424 3.122 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.322 5.539 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.911 4.560 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.512 5.326 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.882 4.708 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.159 4.442 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.631 3.102 -0.716 1.00 0.00 H new ATOM 523 N ASP A 41 13.810 3.767 3.751 1.00 0.00 N ATOM 524 CA ASP A 41 14.889 4.360 4.527 1.00 0.00 C ATOM 525 C ASP A 41 14.525 4.383 6.006 1.00 0.00 C ATOM 526 O ASP A 41 13.432 3.961 6.386 1.00 0.00 O ATOM 527 CB ASP A 41 15.193 5.778 4.038 1.00 0.00 C ATOM 528 CG ASP A 41 16.675 6.079 4.022 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.303 6.050 5.100 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.219 6.350 2.927 1.00 0.00 O ATOM 0 H ASP A 41 12.888 3.851 4.179 1.00 0.00 H new ATOM 0 HA ASP A 41 15.782 3.750 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.788 5.907 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.686 6.497 4.681 1.00 0.00 H new ATOM 535 N THR A 42 15.434 4.879 6.829 1.00 0.00 N ATOM 536 CA THR A 42 15.217 4.949 8.265 1.00 0.00 C ATOM 537 C THR A 42 14.070 5.895 8.606 1.00 0.00 C ATOM 538 O THR A 42 14.218 7.116 8.550 1.00 0.00 O ATOM 539 CB THR A 42 16.487 5.419 8.986 1.00 0.00 C ATOM 540 OG1 THR A 42 17.645 5.038 8.231 1.00 0.00 O ATOM 541 CG2 THR A 42 16.565 4.822 10.380 1.00 0.00 C ATOM 0 H THR A 42 16.337 5.242 6.524 1.00 0.00 H new ATOM 0 HA THR A 42 14.960 3.945 8.601 1.00 0.00 H new ATOM 0 HB THR A 42 16.452 6.505 9.074 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.891 5.764 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.473 5.168 10.874 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.696 5.134 10.959 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.582 3.734 10.310 1.00 0.00 H new ATOM 549 N GLY A 43 12.921 5.319 8.939 1.00 0.00 N ATOM 550 CA GLY A 43 11.759 6.115 9.287 1.00 0.00 C ATOM 551 C GLY A 43 11.068 6.669 8.061 1.00 0.00 C ATOM 552 O GLY A 43 10.170 7.508 8.162 1.00 0.00 O ATOM 0 H GLY A 43 12.773 4.310 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.057 5.504 9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.063 6.937 9.935 1.00 0.00 H new ATOM 556 N VAL A 44 11.492 6.201 6.899 1.00 0.00 N ATOM 557 CA VAL A 44 10.925 6.647 5.643 1.00 0.00 C ATOM 558 C VAL A 44 10.357 5.467 4.870 1.00 0.00 C ATOM 559 O VAL A 44 11.054 4.485 4.616 1.00 0.00 O ATOM 560 CB VAL A 44 11.973 7.368 4.765 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.300 8.122 3.630 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.822 8.317 5.597 1.00 0.00 C ATOM 0 H VAL A 44 12.233 5.507 6.802 1.00 0.00 H new ATOM 0 HA VAL A 44 10.129 7.353 5.882 1.00 0.00 H new ATOM 0 HB VAL A 44 12.627 6.608 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.057 8.621 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.743 7.422 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.616 8.865 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.551 8.811 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.181 9.066 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.343 7.755 6.372 1.00 0.00 H new ATOM 572 N LEU A 45 9.091 5.558 4.516 1.00 0.00 N ATOM 573 CA LEU A 45 8.433 4.509 3.763 1.00 0.00 C ATOM 574 C LEU A 45 7.969 5.065 2.429 1.00 0.00 C ATOM 575 O LEU A 45 7.707 6.265 2.314 1.00 0.00 O ATOM 576 CB LEU A 45 7.253 3.942 4.547 1.00 0.00 C ATOM 577 CG LEU A 45 7.620 3.249 5.861 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.088 4.039 7.044 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.083 1.828 5.879 1.00 0.00 C ATOM 0 H LEU A 45 8.493 6.354 4.740 1.00 0.00 H new ATOM 0 HA LEU A 45 9.139 3.697 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.557 4.753 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.725 3.229 3.914 1.00 0.00 H new ATOM 0 HG LEU A 45 8.706 3.206 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.358 3.532 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.521 5.039 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.003 4.113 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.353 1.349 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.998 1.848 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.513 1.266 5.050 1.00 0.00 H new ATOM 591 N ALA A 46 7.877 4.208 1.426 1.00 0.00 N ATOM 592 CA ALA A 46 7.464 4.640 0.103 1.00 0.00 C ATOM 593 C ALA A 46 6.711 3.538 -0.628 1.00 0.00 C ATOM 594 O ALA A 46 7.071 2.365 -0.533 1.00 0.00 O ATOM 595 CB ALA A 46 8.681 5.079 -0.684 1.00 0.00 C ATOM 0 H ALA A 46 8.082 3.212 1.503 1.00 0.00 H new ATOM 0 HA ALA A 46 6.781 5.483 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.374 5.404 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.170 5.905 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.377 4.245 -0.774 1.00 0.00 H new ATOM 601 N CYS A 47 5.665 3.922 -1.351 1.00 0.00 N ATOM 602 CA CYS A 47 4.841 2.965 -2.092 1.00 0.00 C ATOM 603 C CYS A 47 5.342 2.800 -3.525 1.00 0.00 C ATOM 604 O CYS A 47 6.292 3.466 -3.935 1.00 0.00 O ATOM 605 CB CYS A 47 3.382 3.421 -2.095 1.00 0.00 C ATOM 606 SG CYS A 47 2.781 4.022 -0.478 1.00 0.00 S ATOM 0 H CYS A 47 5.364 4.892 -1.442 1.00 0.00 H new ATOM 0 HA CYS A 47 4.914 1.998 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.263 4.215 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.754 2.590 -2.417 1.00 0.00 H new ATOM 611 N ASN A 48 4.695 1.915 -4.287 1.00 0.00 N ATOM 612 CA ASN A 48 5.089 1.660 -5.670 1.00 0.00 C ATOM 613 C ASN A 48 4.003 2.090 -6.666 1.00 0.00 C ATOM 614 O ASN A 48 3.027 1.379 -6.893 1.00 0.00 O ATOM 615 CB ASN A 48 5.434 0.173 -5.873 1.00 0.00 C ATOM 616 CG ASN A 48 4.262 -0.770 -5.640 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.409 -0.533 -4.779 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.217 -1.853 -6.402 1.00 0.00 N ATOM 0 H ASN A 48 3.897 1.365 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 48 5.976 2.262 -5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.805 0.032 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.245 -0.097 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.459 -2.526 -6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.940 -2.014 -7.103 1.00 0.00 H new ATOM 625 N PRO A 49 4.160 3.271 -7.278 1.00 0.00 N ATOM 626 CA PRO A 49 3.201 3.784 -8.264 1.00 0.00 C ATOM 627 C PRO A 49 3.125 2.911 -9.521 1.00 0.00 C ATOM 628 O PRO A 49 2.222 3.067 -10.344 1.00 0.00 O ATOM 629 CB PRO A 49 3.741 5.176 -8.612 1.00 0.00 C ATOM 630 CG PRO A 49 4.653 5.523 -7.487 1.00 0.00 C ATOM 631 CD PRO A 49 5.253 4.223 -7.038 1.00 0.00 C ATOM 0 HA PRO A 49 2.187 3.796 -7.865 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.272 5.167 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.933 5.902 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.426 6.221 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.108 6.004 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.146 3.969 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.544 4.251 -5.988 1.00 0.00 H new ATOM 639 N ALA A 50 4.073 1.989 -9.660 1.00 0.00 N ATOM 640 CA ALA A 50 4.111 1.090 -10.807 1.00 0.00 C ATOM 641 C ALA A 50 3.002 0.040 -10.739 1.00 0.00 C ATOM 642 O ALA A 50 2.531 -0.441 -11.772 1.00 0.00 O ATOM 643 CB ALA A 50 5.471 0.415 -10.898 1.00 0.00 C ATOM 0 H ALA A 50 4.828 1.845 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 50 3.945 1.687 -11.704 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.488 -0.254 -11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.246 1.173 -11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.654 -0.158 -9.989 1.00 0.00 H new ATOM 649 N ASP A 51 2.582 -0.314 -9.529 1.00 0.00 N ATOM 650 CA ASP A 51 1.533 -1.316 -9.351 1.00 0.00 C ATOM 651 C ASP A 51 0.568 -0.904 -8.250 1.00 0.00 C ATOM 652 O ASP A 51 -0.043 -1.748 -7.592 1.00 0.00 O ATOM 653 CB ASP A 51 2.135 -2.687 -9.025 1.00 0.00 C ATOM 654 CG ASP A 51 2.038 -3.652 -10.187 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.910 -4.062 -10.539 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.092 -4.011 -10.752 1.00 0.00 O ATOM 0 H ASP A 51 2.949 0.075 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 51 0.984 -1.387 -10.290 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.181 -2.564 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.622 -3.110 -8.161 1.00 0.00 H new ATOM 661 N PHE A 52 0.435 0.395 -8.046 1.00 0.00 N ATOM 662 CA PHE A 52 -0.464 0.908 -7.028 1.00 0.00 C ATOM 663 C PHE A 52 -1.860 1.081 -7.614 1.00 0.00 C ATOM 664 O PHE A 52 -2.038 1.062 -8.835 1.00 0.00 O ATOM 665 CB PHE A 52 0.055 2.239 -6.466 1.00 0.00 C ATOM 666 CG PHE A 52 -0.535 3.463 -7.116 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.165 3.837 -8.400 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.462 4.238 -6.440 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.707 4.959 -8.992 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.007 5.362 -7.028 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.630 5.723 -8.305 1.00 0.00 C ATOM 0 H PHE A 52 0.937 1.112 -8.570 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.511 0.193 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.154 2.274 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.139 2.269 -6.580 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.556 3.243 -8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.762 3.960 -5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.410 5.240 -9.992 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.728 5.958 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.056 6.602 -8.767 1.00 0.00 H new ATOM 681 N SER A 53 -2.842 1.234 -6.748 1.00 0.00 N ATOM 682 CA SER A 53 -4.210 1.423 -7.184 1.00 0.00 C ATOM 683 C SER A 53 -4.986 2.236 -6.157 1.00 0.00 C ATOM 684 O SER A 53 -5.234 1.775 -5.044 1.00 0.00 O ATOM 685 CB SER A 53 -4.879 0.067 -7.423 1.00 0.00 C ATOM 686 OG SER A 53 -4.231 -0.638 -8.475 1.00 0.00 O ATOM 0 H SER A 53 -2.717 1.231 -5.736 1.00 0.00 H new ATOM 0 HA SER A 53 -4.208 1.976 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.847 -0.525 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.930 0.214 -7.671 1.00 0.00 H new ATOM 0 HG SER A 53 -3.498 -0.093 -8.831 1.00 0.00 H new ATOM 692 N SER A 54 -5.337 3.457 -6.525 1.00 0.00 N ATOM 693 CA SER A 54 -6.092 4.323 -5.647 1.00 0.00 C ATOM 694 C SER A 54 -7.571 3.974 -5.729 1.00 0.00 C ATOM 695 O SER A 54 -8.250 4.311 -6.701 1.00 0.00 O ATOM 696 CB SER A 54 -5.860 5.784 -6.032 1.00 0.00 C ATOM 697 OG SER A 54 -5.111 5.883 -7.235 1.00 0.00 O ATOM 0 H SER A 54 -5.108 3.868 -7.430 1.00 0.00 H new ATOM 0 HA SER A 54 -5.757 4.179 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.819 6.288 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.331 6.296 -5.228 1.00 0.00 H new ATOM 0 HG SER A 54 -4.202 5.550 -7.083 1.00 0.00 H new ATOM 703 N VAL A 55 -8.061 3.274 -4.724 1.00 0.00 N ATOM 704 CA VAL A 55 -9.454 2.873 -4.695 1.00 0.00 C ATOM 705 C VAL A 55 -10.288 3.892 -3.930 1.00 0.00 C ATOM 706 O VAL A 55 -9.926 4.310 -2.827 1.00 0.00 O ATOM 707 CB VAL A 55 -9.626 1.460 -4.083 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.054 1.385 -2.673 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.088 1.036 -4.096 1.00 0.00 C ATOM 0 H VAL A 55 -7.515 2.971 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.809 2.833 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.062 0.765 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.193 0.379 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.990 1.621 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.569 2.101 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.182 0.041 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.677 1.744 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.453 1.019 -5.123 1.00 0.00 H new ATOM 719 N THR A 56 -11.378 4.326 -4.537 1.00 0.00 N ATOM 720 CA THR A 56 -12.256 5.287 -3.904 1.00 0.00 C ATOM 721 C THR A 56 -13.361 4.565 -3.136 1.00 0.00 C ATOM 722 O THR A 56 -13.922 3.575 -3.615 1.00 0.00 O ATOM 723 CB THR A 56 -12.861 6.281 -4.934 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.724 7.222 -4.280 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.636 5.555 -6.028 1.00 0.00 C ATOM 0 H THR A 56 -11.674 4.027 -5.466 1.00 0.00 H new ATOM 0 HA THR A 56 -11.661 5.871 -3.202 1.00 0.00 H new ATOM 0 HB THR A 56 -12.029 6.812 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.095 7.841 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.044 6.283 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.968 4.876 -6.558 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.451 4.986 -5.580 1.00 0.00 H new ATOM 733 N ALA A 57 -13.648 5.040 -1.932 1.00 0.00 N ATOM 734 CA ALA A 57 -14.678 4.438 -1.106 1.00 0.00 C ATOM 735 C ALA A 57 -16.046 4.663 -1.728 1.00 0.00 C ATOM 736 O ALA A 57 -16.419 5.801 -2.034 1.00 0.00 O ATOM 737 CB ALA A 57 -14.622 4.998 0.306 1.00 0.00 C ATOM 0 H ALA A 57 -13.180 5.841 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.501 3.364 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.401 4.536 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.647 4.784 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.778 6.076 0.276 1.00 0.00 H new ATOM 743 N ASP A 58 -16.778 3.576 -1.920 1.00 0.00 N ATOM 744 CA ASP A 58 -18.104 3.631 -2.517 1.00 0.00 C ATOM 745 C ASP A 58 -19.095 4.306 -1.578 1.00 0.00 C ATOM 746 O ASP A 58 -18.761 4.628 -0.438 1.00 0.00 O ATOM 747 CB ASP A 58 -18.595 2.224 -2.891 1.00 0.00 C ATOM 748 CG ASP A 58 -18.455 1.213 -1.768 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.865 1.512 -0.628 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.931 0.108 -2.025 1.00 0.00 O ATOM 0 H ASP A 58 -16.472 2.636 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.035 4.225 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.642 2.281 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.036 1.872 -3.758 1.00 0.00 H new ATOM 755 N ALA A 59 -20.323 4.487 -2.053 1.00 0.00 N ATOM 756 CA ALA A 59 -21.373 5.139 -1.271 1.00 0.00 C ATOM 757 C ALA A 59 -21.738 4.336 -0.020 1.00 0.00 C ATOM 758 O ALA A 59 -22.396 4.849 0.888 1.00 0.00 O ATOM 759 CB ALA A 59 -22.606 5.360 -2.133 1.00 0.00 C ATOM 0 H ALA A 59 -20.619 4.190 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.986 6.102 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.382 5.846 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.348 5.993 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.974 4.400 -2.495 1.00 0.00 H new ATOM 765 N ASN A 60 -21.309 3.081 0.024 1.00 0.00 N ATOM 766 CA ASN A 60 -21.584 2.217 1.166 1.00 0.00 C ATOM 767 C ASN A 60 -20.521 2.422 2.237 1.00 0.00 C ATOM 768 O ASN A 60 -20.725 2.092 3.408 1.00 0.00 O ATOM 769 CB ASN A 60 -21.612 0.744 0.742 1.00 0.00 C ATOM 770 CG ASN A 60 -22.863 0.373 -0.031 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.950 0.886 0.237 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.721 -0.526 -0.994 1.00 0.00 N ATOM 0 H ASN A 60 -20.768 2.638 -0.719 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.562 2.480 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.736 0.532 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.540 0.115 1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.529 -0.816 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.803 -0.928 -1.185 1.00 0.00 H new ATOM 779 N GLY A 61 -19.391 2.984 1.825 1.00 0.00 N ATOM 780 CA GLY A 61 -18.298 3.225 2.742 1.00 0.00 C ATOM 781 C GLY A 61 -17.295 2.094 2.729 1.00 0.00 C ATOM 782 O GLY A 61 -16.693 1.777 3.752 1.00 0.00 O ATOM 0 H GLY A 61 -19.214 3.278 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.799 4.157 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.691 3.351 3.751 1.00 0.00 H new ATOM 786 N SER A 62 -17.130 1.473 1.572 1.00 0.00 N ATOM 787 CA SER A 62 -16.201 0.365 1.428 1.00 0.00 C ATOM 788 C SER A 62 -15.254 0.592 0.249 1.00 0.00 C ATOM 789 O SER A 62 -15.565 1.351 -0.672 1.00 0.00 O ATOM 790 CB SER A 62 -16.991 -0.928 1.236 1.00 0.00 C ATOM 791 OG SER A 62 -18.385 -0.662 1.162 1.00 0.00 O ATOM 0 H SER A 62 -17.629 1.719 0.717 1.00 0.00 H new ATOM 0 HA SER A 62 -15.593 0.292 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.663 -1.428 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.790 -1.609 2.063 1.00 0.00 H new ATOM 0 HG SER A 62 -18.559 -0.028 0.435 1.00 0.00 H new ATOM 797 N ALA A 63 -14.095 -0.048 0.291 1.00 0.00 N ATOM 798 CA ALA A 63 -13.112 0.078 -0.776 1.00 0.00 C ATOM 799 C ALA A 63 -12.222 -1.160 -0.839 1.00 0.00 C ATOM 800 O ALA A 63 -11.418 -1.400 0.058 1.00 0.00 O ATOM 801 CB ALA A 63 -12.270 1.331 -0.575 1.00 0.00 C ATOM 0 H ALA A 63 -13.811 -0.662 1.055 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.643 0.164 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.540 1.412 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.916 2.209 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.750 1.271 0.381 1.00 0.00 H new ATOM 807 N SER A 64 -12.390 -1.950 -1.890 1.00 0.00 N ATOM 808 CA SER A 64 -11.601 -3.156 -2.069 1.00 0.00 C ATOM 809 C SER A 64 -10.794 -3.069 -3.361 1.00 0.00 C ATOM 810 O SER A 64 -11.322 -2.695 -4.411 1.00 0.00 O ATOM 811 CB SER A 64 -12.514 -4.387 -2.087 1.00 0.00 C ATOM 812 OG SER A 64 -11.771 -5.587 -1.941 1.00 0.00 O ATOM 0 H SER A 64 -13.068 -1.775 -2.632 1.00 0.00 H new ATOM 0 HA SER A 64 -10.908 -3.252 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.246 -4.311 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.071 -4.414 -3.023 1.00 0.00 H new ATOM 0 HG SER A 64 -12.382 -6.353 -1.955 1.00 0.00 H new ATOM 818 N THR A 65 -9.513 -3.397 -3.275 1.00 0.00 N ATOM 819 CA THR A 65 -8.632 -3.361 -4.429 1.00 0.00 C ATOM 820 C THR A 65 -7.590 -4.474 -4.341 1.00 0.00 C ATOM 821 O THR A 65 -7.472 -5.145 -3.312 1.00 0.00 O ATOM 822 CB THR A 65 -7.936 -1.987 -4.563 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.350 -1.853 -5.864 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.860 -1.800 -3.502 1.00 0.00 C ATOM 0 H THR A 65 -9.060 -3.693 -2.410 1.00 0.00 H new ATOM 0 HA THR A 65 -9.243 -3.518 -5.318 1.00 0.00 H new ATOM 0 HB THR A 65 -8.696 -1.219 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.914 -0.979 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.392 -0.824 -3.627 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.311 -1.863 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.106 -2.580 -3.607 1.00 0.00 H new ATOM 832 N SER A 66 -6.848 -4.667 -5.420 1.00 0.00 N ATOM 833 CA SER A 66 -5.825 -5.696 -5.479 1.00 0.00 C ATOM 834 C SER A 66 -4.513 -5.116 -6.004 1.00 0.00 C ATOM 835 O SER A 66 -4.487 -4.431 -7.028 1.00 0.00 O ATOM 836 CB SER A 66 -6.291 -6.853 -6.360 1.00 0.00 C ATOM 837 OG SER A 66 -7.457 -7.457 -5.828 1.00 0.00 O ATOM 0 H SER A 66 -6.938 -4.117 -6.275 1.00 0.00 H new ATOM 0 HA SER A 66 -5.652 -6.075 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.493 -6.490 -7.368 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.497 -7.595 -6.442 1.00 0.00 H new ATOM 0 HG SER A 66 -7.738 -8.194 -6.410 1.00 0.00 H new ATOM 843 N LEU A 67 -3.426 -5.386 -5.291 1.00 0.00 N ATOM 844 CA LEU A 67 -2.113 -4.881 -5.673 1.00 0.00 C ATOM 845 C LEU A 67 -1.194 -6.025 -6.065 1.00 0.00 C ATOM 846 O LEU A 67 -1.469 -7.185 -5.760 1.00 0.00 O ATOM 847 CB LEU A 67 -1.466 -4.101 -4.516 1.00 0.00 C ATOM 848 CG LEU A 67 -2.197 -2.837 -4.048 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.629 -1.986 -5.230 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.391 -3.197 -3.179 1.00 0.00 C ATOM 0 H LEU A 67 -3.428 -5.953 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.254 -4.214 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.369 -4.774 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.457 -3.820 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.502 -2.250 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.145 -1.096 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.752 -1.689 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.301 -2.562 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.895 -2.286 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.085 -3.813 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.050 -3.751 -2.304 1.00 0.00 H new ATOM 862 N THR A 68 -0.111 -5.703 -6.749 1.00 0.00 N ATOM 863 CA THR A 68 0.857 -6.706 -7.146 1.00 0.00 C ATOM 864 C THR A 68 2.177 -6.450 -6.437 1.00 0.00 C ATOM 865 O THR A 68 2.842 -5.445 -6.691 1.00 0.00 O ATOM 866 CB THR A 68 1.091 -6.709 -8.667 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.066 -6.196 -9.342 1.00 0.00 O ATOM 868 CG2 THR A 68 1.389 -8.119 -9.159 1.00 0.00 C ATOM 0 H THR A 68 0.119 -4.753 -7.041 1.00 0.00 H new ATOM 0 HA THR A 68 0.457 -7.680 -6.865 1.00 0.00 H new ATOM 0 HB THR A 68 1.948 -6.073 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.201 -5.471 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.552 -8.102 -10.237 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.283 -8.496 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.545 -8.770 -8.930 1.00 0.00 H new ATOM 876 N VAL A 69 2.543 -7.337 -5.528 1.00 0.00 N ATOM 877 CA VAL A 69 3.786 -7.182 -4.797 1.00 0.00 C ATOM 878 C VAL A 69 4.972 -7.544 -5.691 1.00 0.00 C ATOM 879 O VAL A 69 5.043 -8.641 -6.240 1.00 0.00 O ATOM 880 CB VAL A 69 3.810 -8.027 -3.497 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.579 -9.506 -3.784 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.121 -7.820 -2.747 1.00 0.00 C ATOM 0 H VAL A 69 2.001 -8.165 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 69 3.863 -6.136 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 69 2.991 -7.685 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.603 -10.066 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.608 -9.637 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.361 -9.874 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.119 -8.421 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.954 -8.123 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.228 -6.767 -2.486 1.00 0.00 H new ATOM 892 N ARG A 70 5.884 -6.601 -5.859 1.00 0.00 N ATOM 893 CA ARG A 70 7.060 -6.811 -6.686 1.00 0.00 C ATOM 894 C ARG A 70 8.263 -7.123 -5.807 1.00 0.00 C ATOM 895 O ARG A 70 8.252 -6.842 -4.606 1.00 0.00 O ATOM 896 CB ARG A 70 7.336 -5.565 -7.539 1.00 0.00 C ATOM 897 CG ARG A 70 6.083 -4.930 -8.128 1.00 0.00 C ATOM 898 CD ARG A 70 5.900 -5.272 -9.601 1.00 0.00 C ATOM 899 NE ARG A 70 5.751 -6.714 -9.825 1.00 0.00 N ATOM 900 CZ ARG A 70 4.796 -7.263 -10.577 1.00 0.00 C ATOM 901 NH1 ARG A 70 3.841 -6.511 -11.111 1.00 0.00 N ATOM 902 NH2 ARG A 70 4.776 -8.578 -10.768 1.00 0.00 N ATOM 0 H ARG A 70 5.831 -5.677 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 70 6.879 -7.656 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.853 -4.825 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.011 -5.835 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.210 -5.266 -7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.138 -3.848 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.021 -4.754 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.757 -4.906 -10.166 1.00 0.00 H new ATOM 0 HE ARG A 70 6.422 -7.338 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.833 -5.504 -10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.115 -6.940 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.491 -9.166 -10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.046 -8.999 -11.343 1.00 0.00 H new ATOM 916 N ARG A 71 9.293 -7.707 -6.399 1.00 0.00 N ATOM 917 CA ARG A 71 10.502 -8.048 -5.659 1.00 0.00 C ATOM 918 C ARG A 71 11.329 -6.795 -5.416 1.00 0.00 C ATOM 919 O ARG A 71 11.953 -6.632 -4.366 1.00 0.00 O ATOM 920 CB ARG A 71 11.325 -9.080 -6.433 1.00 0.00 C ATOM 921 CG ARG A 71 12.467 -9.692 -5.631 1.00 0.00 C ATOM 922 CD ARG A 71 11.960 -10.623 -4.540 1.00 0.00 C ATOM 923 NE ARG A 71 11.255 -11.778 -5.094 1.00 0.00 N ATOM 924 CZ ARG A 71 11.075 -12.926 -4.446 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.526 -13.076 -3.206 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.428 -13.923 -5.039 1.00 0.00 N ATOM 0 H ARG A 71 9.318 -7.955 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 71 10.218 -8.479 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.663 -9.878 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.735 -8.607 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.126 -10.244 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.062 -8.897 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.800 -10.966 -3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.292 -10.074 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 71 10.877 -11.699 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.014 -12.308 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.384 -13.959 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.071 -13.807 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.288 -14.805 -4.546 1.00 0.00 H new ATOM 940 N SER A 72 11.323 -5.919 -6.407 1.00 0.00 N ATOM 941 CA SER A 72 12.040 -4.659 -6.339 1.00 0.00 C ATOM 942 C SER A 72 11.188 -3.572 -6.987 1.00 0.00 C ATOM 943 O SER A 72 10.647 -3.773 -8.077 1.00 0.00 O ATOM 944 CB SER A 72 13.391 -4.766 -7.051 1.00 0.00 C ATOM 945 OG SER A 72 13.985 -6.043 -6.841 1.00 0.00 O ATOM 0 H SER A 72 10.820 -6.063 -7.282 1.00 0.00 H new ATOM 0 HA SER A 72 12.229 -4.408 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.256 -4.596 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.060 -3.987 -6.686 1.00 0.00 H new ATOM 0 HG SER A 72 14.529 -6.021 -6.026 1.00 0.00 H new ATOM 951 N PHE A 73 11.059 -2.429 -6.329 1.00 0.00 N ATOM 952 CA PHE A 73 10.246 -1.345 -6.862 1.00 0.00 C ATOM 953 C PHE A 73 10.817 0.016 -6.494 1.00 0.00 C ATOM 954 O PHE A 73 11.614 0.141 -5.568 1.00 0.00 O ATOM 955 CB PHE A 73 8.809 -1.457 -6.333 1.00 0.00 C ATOM 956 CG PHE A 73 8.694 -1.311 -4.835 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.907 -2.396 -3.997 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.367 -0.088 -4.265 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.797 -2.264 -2.626 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.257 0.048 -2.894 1.00 0.00 C ATOM 961 CZ PHE A 73 8.473 -1.042 -2.075 1.00 0.00 C ATOM 0 H PHE A 73 11.503 -2.229 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 73 10.249 -1.433 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.196 -0.692 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.399 -2.423 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.162 -3.356 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.196 0.768 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.965 -3.118 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.002 1.006 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.388 -0.938 -1.003 1.00 0.00 H new ATOM 971 N GLU A 74 10.410 1.028 -7.241 1.00 0.00 N ATOM 972 CA GLU A 74 10.829 2.393 -6.985 1.00 0.00 C ATOM 973 C GLU A 74 9.940 2.981 -5.903 1.00 0.00 C ATOM 974 O GLU A 74 8.722 3.058 -6.076 1.00 0.00 O ATOM 975 CB GLU A 74 10.725 3.252 -8.252 1.00 0.00 C ATOM 976 CG GLU A 74 11.084 2.517 -9.530 1.00 0.00 C ATOM 977 CD GLU A 74 9.886 1.839 -10.168 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.512 0.732 -9.722 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.306 2.408 -11.115 1.00 0.00 O ATOM 0 H GLU A 74 9.782 0.926 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 74 11.871 2.386 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.707 3.632 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.380 4.117 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.519 3.221 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.847 1.770 -9.313 1.00 0.00 H new ATOM 986 N GLY A 75 10.538 3.364 -4.785 1.00 0.00 N ATOM 987 CA GLY A 75 9.776 3.932 -3.697 1.00 0.00 C ATOM 988 C GLY A 75 9.450 5.387 -3.938 1.00 0.00 C ATOM 989 O GLY A 75 10.343 6.186 -4.237 1.00 0.00 O ATOM 0 H GLY A 75 11.541 3.290 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.851 3.369 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.340 3.835 -2.769 1.00 0.00 H new ATOM 993 N PHE A 76 8.180 5.743 -3.793 1.00 0.00 N ATOM 994 CA PHE A 76 7.751 7.113 -4.007 1.00 0.00 C ATOM 995 C PHE A 76 6.997 7.647 -2.804 1.00 0.00 C ATOM 996 O PHE A 76 6.239 6.917 -2.160 1.00 0.00 O ATOM 997 CB PHE A 76 6.858 7.204 -5.243 1.00 0.00 C ATOM 998 CG PHE A 76 7.606 7.347 -6.536 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.176 6.247 -7.150 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.727 8.586 -7.140 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.858 6.381 -8.345 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.406 8.726 -8.332 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.973 7.622 -8.935 1.00 0.00 C ATOM 0 H PHE A 76 7.433 5.101 -3.529 1.00 0.00 H new ATOM 0 HA PHE A 76 8.645 7.718 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.236 6.311 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.186 8.055 -5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.088 5.273 -6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.285 9.453 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.300 5.515 -8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.494 9.699 -8.793 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.506 7.730 -9.868 1.00 0.00 H new ATOM 1013 N LEU A 77 7.224 8.914 -2.496 1.00 0.00 N ATOM 1014 CA LEU A 77 6.540 9.562 -1.390 1.00 0.00 C ATOM 1015 C LEU A 77 5.160 10.010 -1.859 1.00 0.00 C ATOM 1016 O LEU A 77 4.851 9.920 -3.048 1.00 0.00 O ATOM 1017 CB LEU A 77 7.347 10.762 -0.892 1.00 0.00 C ATOM 1018 CG LEU A 77 8.813 10.468 -0.559 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.665 11.709 -0.791 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.944 9.986 0.882 1.00 0.00 C ATOM 0 H LEU A 77 7.878 9.515 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 77 6.436 8.859 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.313 11.543 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.862 11.162 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 77 9.170 9.677 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.705 11.487 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.591 12.011 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.310 12.518 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.991 9.781 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.574 10.756 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.360 9.075 1.016 1.00 0.00 H new ATOM 1032 N PHE A 78 4.349 10.522 -0.946 1.00 0.00 N ATOM 1033 CA PHE A 78 3.001 10.958 -1.293 1.00 0.00 C ATOM 1034 C PHE A 78 3.018 12.263 -2.079 1.00 0.00 C ATOM 1035 O PHE A 78 1.996 12.682 -2.628 1.00 0.00 O ATOM 1036 CB PHE A 78 2.138 11.101 -0.034 1.00 0.00 C ATOM 1037 CG PHE A 78 1.212 9.937 0.184 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.682 8.636 0.093 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.130 10.141 0.469 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.835 7.561 0.283 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.984 9.069 0.661 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.498 7.777 0.567 1.00 0.00 C ATOM 0 H PHE A 78 4.597 10.646 0.036 1.00 0.00 H new ATOM 0 HA PHE A 78 2.563 10.192 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.788 11.207 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.550 12.016 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.724 8.460 -0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.513 11.148 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.216 6.553 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.027 9.240 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.162 6.938 0.716 1.00 0.00 H new ATOM 1052 N ASP A 79 4.179 12.905 -2.146 1.00 0.00 N ATOM 1053 CA ASP A 79 4.313 14.158 -2.882 1.00 0.00 C ATOM 1054 C ASP A 79 4.582 13.887 -4.359 1.00 0.00 C ATOM 1055 O ASP A 79 4.356 14.749 -5.208 1.00 0.00 O ATOM 1056 CB ASP A 79 5.431 15.028 -2.292 1.00 0.00 C ATOM 1057 CG ASP A 79 6.809 14.621 -2.778 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.195 13.455 -2.570 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.509 15.468 -3.371 1.00 0.00 O ATOM 0 H ASP A 79 5.038 12.581 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 79 3.372 14.701 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.251 16.071 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.400 14.963 -1.204 1.00 0.00 H new ATOM 1064 N GLY A 80 5.071 12.688 -4.659 1.00 0.00 N ATOM 1065 CA GLY A 80 5.347 12.321 -6.033 1.00 0.00 C ATOM 1066 C GLY A 80 6.830 12.167 -6.311 1.00 0.00 C ATOM 1067 O GLY A 80 7.220 11.802 -7.420 1.00 0.00 O ATOM 0 H GLY A 80 5.281 11.964 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.839 11.385 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.934 13.080 -6.697 1.00 0.00 H new ATOM 1071 N THR A 81 7.663 12.436 -5.310 1.00 0.00 N ATOM 1072 CA THR A 81 9.106 12.314 -5.479 1.00 0.00 C ATOM 1073 C THR A 81 9.591 10.937 -5.025 1.00 0.00 C ATOM 1074 O THR A 81 9.120 10.401 -4.018 1.00 0.00 O ATOM 1075 CB THR A 81 9.853 13.413 -4.693 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.322 14.701 -5.036 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.348 13.392 -4.990 1.00 0.00 C ATOM 0 H THR A 81 7.367 12.737 -4.382 1.00 0.00 H new ATOM 0 HA THR A 81 9.323 12.435 -6.540 1.00 0.00 H new ATOM 0 HB THR A 81 9.710 13.219 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.443 14.814 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.843 14.178 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.762 12.424 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.510 13.559 -6.055 1.00 0.00 H new ATOM 1085 N ARG A 82 10.513 10.360 -5.788 1.00 0.00 N ATOM 1086 CA ARG A 82 11.068 9.057 -5.458 1.00 0.00 C ATOM 1087 C ARG A 82 12.198 9.196 -4.447 1.00 0.00 C ATOM 1088 O ARG A 82 13.016 10.114 -4.539 1.00 0.00 O ATOM 1089 CB ARG A 82 11.571 8.330 -6.716 1.00 0.00 C ATOM 1090 CG ARG A 82 12.321 9.214 -7.708 1.00 0.00 C ATOM 1091 CD ARG A 82 13.795 9.327 -7.366 1.00 0.00 C ATOM 1092 NE ARG A 82 14.435 10.423 -8.080 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.689 11.617 -7.547 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.370 11.876 -6.284 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.263 12.557 -8.283 1.00 0.00 N ATOM 0 H ARG A 82 10.891 10.776 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 82 10.270 8.460 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.226 7.514 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.718 7.880 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.212 8.805 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.874 10.208 -7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.908 9.478 -6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.297 8.391 -7.611 1.00 0.00 H new ATOM 0 HE ARG A 82 14.706 10.266 -9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.926 11.157 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.569 12.794 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.509 12.365 -9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.459 13.473 -7.879 1.00 0.00 H new ATOM 1109 N TRP A 83 12.236 8.289 -3.487 1.00 0.00 N ATOM 1110 CA TRP A 83 13.272 8.311 -2.469 1.00 0.00 C ATOM 1111 C TRP A 83 14.425 7.406 -2.892 1.00 0.00 C ATOM 1112 O TRP A 83 15.595 7.737 -2.699 1.00 0.00 O ATOM 1113 CB TRP A 83 12.708 7.866 -1.114 1.00 0.00 C ATOM 1114 CG TRP A 83 13.641 8.115 0.032 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.642 7.299 0.464 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.656 9.258 0.894 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.281 7.863 1.537 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.694 9.065 1.823 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.892 10.427 0.972 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.989 9.995 2.815 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.185 11.350 1.958 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.227 11.129 2.868 1.00 0.00 C ATOM 0 H TRP A 83 11.563 7.529 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 83 13.641 9.331 -2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.770 8.390 -0.930 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.475 6.802 -1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.895 6.346 0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.067 7.453 2.041 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.087 10.605 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.791 9.827 3.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.601 12.256 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.433 11.869 3.627 1.00 0.00 H new ATOM 1133 N GLY A 84 14.085 6.265 -3.475 1.00 0.00 N ATOM 1134 CA GLY A 84 15.096 5.330 -3.921 1.00 0.00 C ATOM 1135 C GLY A 84 14.507 3.983 -4.276 1.00 0.00 C ATOM 1136 O GLY A 84 13.296 3.777 -4.156 1.00 0.00 O ATOM 0 H GLY A 84 13.124 5.970 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.611 5.740 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.843 5.204 -3.138 1.00 0.00 H new ATOM 1140 N THR A 85 15.354 3.069 -4.724 1.00 0.00 N ATOM 1141 CA THR A 85 14.916 1.737 -5.104 1.00 0.00 C ATOM 1142 C THR A 85 14.740 0.850 -3.874 1.00 0.00 C ATOM 1143 O THR A 85 15.684 0.632 -3.109 1.00 0.00 O ATOM 1144 CB THR A 85 15.925 1.078 -6.061 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.583 2.084 -6.848 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.235 0.081 -6.981 1.00 0.00 C ATOM 0 H THR A 85 16.356 3.228 -4.833 1.00 0.00 H new ATOM 0 HA THR A 85 13.957 1.842 -5.611 1.00 0.00 H new ATOM 0 HB THR A 85 16.661 0.543 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.225 1.658 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.971 -0.370 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.761 -0.698 -6.384 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.478 0.596 -7.573 1.00 0.00 H new ATOM 1154 N VAL A 86 13.530 0.353 -3.679 1.00 0.00 N ATOM 1155 CA VAL A 86 13.238 -0.513 -2.551 1.00 0.00 C ATOM 1156 C VAL A 86 13.244 -1.965 -3.002 1.00 0.00 C ATOM 1157 O VAL A 86 12.460 -2.358 -3.867 1.00 0.00 O ATOM 1158 CB VAL A 86 11.877 -0.188 -1.904 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.876 -0.593 -0.441 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.538 1.286 -2.051 1.00 0.00 C ATOM 0 H VAL A 86 12.733 0.535 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 86 14.013 -0.344 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 86 11.110 -0.761 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.908 -0.357 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.060 -1.664 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.659 -0.049 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.573 1.486 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.307 1.886 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.491 1.545 -3.109 1.00 0.00 H new ATOM 1170 N ASP A 87 14.142 -2.749 -2.434 1.00 0.00 N ATOM 1171 CA ASP A 87 14.255 -4.154 -2.785 1.00 0.00 C ATOM 1172 C ASP A 87 13.872 -5.029 -1.603 1.00 0.00 C ATOM 1173 O ASP A 87 14.303 -4.784 -0.477 1.00 0.00 O ATOM 1174 CB ASP A 87 15.679 -4.469 -3.232 1.00 0.00 C ATOM 1175 CG ASP A 87 15.862 -5.929 -3.592 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.552 -6.308 -4.738 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.317 -6.709 -2.729 1.00 0.00 O ATOM 0 H ASP A 87 14.806 -2.436 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 87 13.571 -4.363 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.932 -3.851 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.374 -4.204 -2.435 1.00 0.00 H new ATOM 1182 N CYS A 88 13.059 -6.039 -1.864 1.00 0.00 N ATOM 1183 CA CYS A 88 12.614 -6.946 -0.817 1.00 0.00 C ATOM 1184 C CYS A 88 13.095 -8.374 -1.074 1.00 0.00 C ATOM 1185 O CYS A 88 12.433 -9.336 -0.690 1.00 0.00 O ATOM 1186 CB CYS A 88 11.087 -6.922 -0.714 1.00 0.00 C ATOM 1187 SG CYS A 88 10.389 -5.307 -0.228 1.00 0.00 S ATOM 0 H CYS A 88 12.693 -6.252 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 88 13.047 -6.607 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.666 -7.211 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.772 -7.673 0.010 1.00 0.00 H new ATOM 1192 N THR A 89 14.249 -8.515 -1.720 1.00 0.00 N ATOM 1193 CA THR A 89 14.801 -9.834 -2.001 1.00 0.00 C ATOM 1194 C THR A 89 15.194 -10.519 -0.696 1.00 0.00 C ATOM 1195 O THR A 89 14.903 -11.699 -0.482 1.00 0.00 O ATOM 1196 CB THR A 89 16.013 -9.745 -2.951 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.648 -9.008 -4.126 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.493 -11.130 -3.355 1.00 0.00 C ATOM 0 H THR A 89 14.816 -7.737 -2.056 1.00 0.00 H new ATOM 0 HA THR A 89 14.034 -10.427 -2.500 1.00 0.00 H new ATOM 0 HB THR A 89 16.823 -9.237 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.419 -8.950 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.348 -11.038 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.787 -11.687 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.688 -11.660 -3.865 1.00 0.00 H new ATOM 1206 N THR A 90 15.841 -9.762 0.180 1.00 0.00 N ATOM 1207 CA THR A 90 16.250 -10.269 1.480 1.00 0.00 C ATOM 1208 C THR A 90 15.577 -9.455 2.590 1.00 0.00 C ATOM 1209 O THR A 90 15.300 -9.966 3.678 1.00 0.00 O ATOM 1210 CB THR A 90 17.787 -10.232 1.646 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.405 -10.989 0.597 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.219 -10.800 2.992 1.00 0.00 C ATOM 0 H THR A 90 16.095 -8.789 0.011 1.00 0.00 H new ATOM 0 HA THR A 90 15.935 -11.310 1.552 1.00 0.00 H new ATOM 0 HB THR A 90 18.102 -9.190 1.596 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.379 -10.962 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.305 -10.758 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.772 -10.213 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.889 -11.836 3.073 1.00 0.00 H new ATOM 1220 N ALA A 91 15.293 -8.188 2.296 1.00 0.00 N ATOM 1221 CA ALA A 91 14.645 -7.303 3.253 1.00 0.00 C ATOM 1222 C ALA A 91 13.166 -7.652 3.382 1.00 0.00 C ATOM 1223 O ALA A 91 12.624 -8.414 2.576 1.00 0.00 O ATOM 1224 CB ALA A 91 14.823 -5.849 2.831 1.00 0.00 C ATOM 0 H ALA A 91 15.504 -7.753 1.398 1.00 0.00 H new ATOM 0 HA ALA A 91 15.113 -7.437 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.334 -5.197 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.886 -5.610 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.377 -5.698 1.848 1.00 0.00 H new ATOM 1230 N ALA A 92 12.522 -7.105 4.399 1.00 0.00 N ATOM 1231 CA ALA A 92 11.112 -7.355 4.639 1.00 0.00 C ATOM 1232 C ALA A 92 10.258 -6.388 3.841 1.00 0.00 C ATOM 1233 O ALA A 92 10.578 -5.201 3.741 1.00 0.00 O ATOM 1234 CB ALA A 92 10.795 -7.234 6.122 1.00 0.00 C ATOM 0 H ALA A 92 12.958 -6.480 5.077 1.00 0.00 H new ATOM 0 HA ALA A 92 10.884 -8.370 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.734 -7.424 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.384 -7.962 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.040 -6.229 6.466 1.00 0.00 H new ATOM 1240 N CYS A 93 9.178 -6.893 3.276 1.00 0.00 N ATOM 1241 CA CYS A 93 8.274 -6.077 2.488 1.00 0.00 C ATOM 1242 C CYS A 93 6.948 -5.926 3.221 1.00 0.00 C ATOM 1243 O CYS A 93 6.551 -6.806 3.985 1.00 0.00 O ATOM 1244 CB CYS A 93 8.048 -6.714 1.115 1.00 0.00 C ATOM 1245 SG CYS A 93 8.380 -5.598 -0.289 1.00 0.00 S ATOM 0 H CYS A 93 8.904 -7.873 3.349 1.00 0.00 H new ATOM 0 HA CYS A 93 8.717 -5.091 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.686 -7.593 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.017 -7.061 1.053 1.00 0.00 H new ATOM 1250 N GLN A 94 6.266 -4.816 2.999 1.00 0.00 N ATOM 1251 CA GLN A 94 4.985 -4.577 3.647 1.00 0.00 C ATOM 1252 C GLN A 94 4.057 -3.807 2.729 1.00 0.00 C ATOM 1253 O GLN A 94 4.506 -3.130 1.805 1.00 0.00 O ATOM 1254 CB GLN A 94 5.172 -3.819 4.965 1.00 0.00 C ATOM 1255 CG GLN A 94 6.136 -2.649 4.880 1.00 0.00 C ATOM 1256 CD GLN A 94 6.325 -1.950 6.210 1.00 0.00 C ATOM 1257 OE1 GLN A 94 5.391 -1.827 7.004 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.547 -1.519 6.478 1.00 0.00 N ATOM 0 H GLN A 94 6.575 -4.068 2.378 1.00 0.00 H new ATOM 0 HA GLN A 94 4.535 -5.545 3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.202 -3.452 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.529 -4.515 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.102 -3.005 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.767 -1.932 4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.292 -1.641 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.744 -1.065 7.370 1.00 0.00 H new ATOM 1267 N VAL A 95 2.765 -3.929 2.979 1.00 0.00 N ATOM 1268 CA VAL A 95 1.763 -3.246 2.184 1.00 0.00 C ATOM 1269 C VAL A 95 0.959 -2.304 3.068 1.00 0.00 C ATOM 1270 O VAL A 95 0.439 -2.710 4.109 1.00 0.00 O ATOM 1271 CB VAL A 95 0.810 -4.241 1.486 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.165 -3.512 0.574 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.595 -5.280 0.699 1.00 0.00 C ATOM 0 H VAL A 95 2.384 -4.500 3.733 1.00 0.00 H new ATOM 0 HA VAL A 95 2.282 -2.680 1.411 1.00 0.00 H new ATOM 0 HB VAL A 95 0.238 -4.753 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.825 -4.235 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.759 -2.812 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.390 -2.965 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.903 -5.970 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.199 -4.782 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.246 -5.834 1.376 1.00 0.00 H new ATOM 1283 N GLY A 96 0.866 -1.053 2.656 1.00 0.00 N ATOM 1284 CA GLY A 96 0.137 -0.077 3.427 1.00 0.00 C ATOM 1285 C GLY A 96 -0.741 0.787 2.558 1.00 0.00 C ATOM 1286 O GLY A 96 -0.693 0.696 1.333 1.00 0.00 O ATOM 0 H GLY A 96 1.285 -0.696 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.477 -0.587 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.840 0.553 3.972 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.541 1.628 3.188 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.437 2.504 2.461 1.00 0.00 C ATOM 1292 C LEU A 97 -2.795 3.714 3.304 1.00 0.00 C ATOM 1293 O LEU A 97 -2.770 3.659 4.535 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.712 1.763 2.042 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.649 1.350 3.179 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.089 1.307 2.686 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.241 -0.001 3.749 1.00 0.00 C ATOM 0 H LEU A 97 -1.587 1.722 4.203 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.921 2.838 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.268 2.398 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.424 0.868 1.491 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.574 2.092 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.745 1.012 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.380 2.294 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.174 0.585 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.920 -0.276 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.286 -0.756 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.224 0.060 4.136 1.00 0.00 H new ATOM 1309 N SER A 98 -3.101 4.810 2.639 1.00 0.00 N ATOM 1310 CA SER A 98 -3.480 6.035 3.311 1.00 0.00 C ATOM 1311 C SER A 98 -4.461 6.808 2.443 1.00 0.00 C ATOM 1312 O SER A 98 -4.434 6.699 1.220 1.00 0.00 O ATOM 1313 CB SER A 98 -2.244 6.887 3.611 1.00 0.00 C ATOM 1314 OG SER A 98 -1.317 6.179 4.418 1.00 0.00 O ATOM 0 H SER A 98 -3.094 4.876 1.621 1.00 0.00 H new ATOM 0 HA SER A 98 -3.959 5.788 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.766 7.181 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.545 7.804 4.118 1.00 0.00 H new ATOM 0 HG SER A 98 -0.537 6.745 4.593 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.341 7.561 3.078 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.330 8.351 2.358 1.00 0.00 C ATOM 1322 C ASP A 99 -5.702 9.633 1.815 1.00 0.00 C ATOM 1323 O ASP A 99 -4.477 9.772 1.788 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.505 8.684 3.280 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.172 9.764 4.291 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.081 9.715 4.891 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -8.002 10.671 4.481 1.00 0.00 O ATOM 0 H ASP A 99 -5.393 7.644 4.093 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.697 7.766 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.354 9.007 2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.814 7.782 3.808 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.543 10.565 1.386 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.075 11.836 0.850 1.00 0.00 C ATOM 1334 C ALA A 100 -5.309 12.629 1.908 1.00 0.00 C ATOM 1335 O ALA A 100 -4.413 13.411 1.587 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.251 12.643 0.323 1.00 0.00 C ATOM 0 H ALA A 100 -7.558 10.463 1.399 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.391 11.632 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.892 13.592 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.751 12.083 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.954 12.833 1.134 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.667 12.422 3.169 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.012 13.107 4.274 1.00 0.00 C ATOM 1344 C ALA A 101 -3.700 12.417 4.629 1.00 0.00 C ATOM 1345 O ALA A 101 -2.681 13.077 4.840 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.928 13.157 5.486 1.00 0.00 C ATOM 0 H ALA A 101 -6.410 11.783 3.452 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.792 14.128 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.423 13.672 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.842 13.692 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.177 12.142 5.796 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.731 11.092 4.696 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.536 10.334 5.014 1.00 0.00 C ATOM 1354 C GLY A 102 -2.737 9.366 6.165 1.00 0.00 C ATOM 1355 O GLY A 102 -1.773 8.971 6.825 1.00 0.00 O ATOM 0 H GLY A 102 -4.565 10.527 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.219 9.779 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.730 11.024 5.263 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.984 8.983 6.413 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.292 8.053 7.493 1.00 0.00 C ATOM 1361 C ASN A 103 -5.155 6.908 6.983 1.00 0.00 C ATOM 1362 O ASN A 103 -5.600 6.919 5.833 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.011 8.773 8.638 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.062 9.538 9.540 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.423 8.964 10.419 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.973 10.844 9.335 1.00 0.00 N ATOM 0 H ASN A 103 -4.796 9.301 5.883 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.352 7.648 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.745 9.463 8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.560 8.043 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.357 11.411 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.520 11.282 8.594 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.401 5.927 7.837 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.211 4.794 7.446 1.00 0.00 C ATOM 1375 C GLY A 104 -5.825 3.531 8.188 1.00 0.00 C ATOM 1376 O GLY A 104 -5.281 3.606 9.289 1.00 0.00 O ATOM 0 H GLY A 104 -5.053 5.896 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.261 5.018 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.108 4.629 6.373 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.105 2.354 7.610 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.774 1.064 8.229 1.00 0.00 C ATOM 1382 C PRO A 105 -4.274 0.902 8.463 1.00 0.00 C ATOM 1383 O PRO A 105 -3.454 1.495 7.758 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.274 0.030 7.214 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.265 0.761 6.375 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.783 2.183 6.317 1.00 0.00 C ATOM 0 HA PRO A 105 -6.230 0.961 9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.454 -0.358 6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.733 -0.823 7.713 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.327 0.328 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.263 0.704 6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.104 2.345 5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.609 2.885 6.198 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.926 0.099 9.459 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.532 -0.149 9.803 1.00 0.00 C ATOM 1396 C GLU A 106 -1.840 -0.952 8.699 1.00 0.00 C ATOM 1397 O GLU A 106 -2.444 -1.843 8.098 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.458 -0.900 11.134 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.155 -0.697 11.888 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.081 -1.534 13.147 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.725 -1.167 14.152 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.382 -2.563 13.138 1.00 0.00 O ATOM 0 H GLU A 106 -4.596 -0.396 10.048 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.016 0.806 9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.285 -0.579 11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.595 -1.965 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.318 -0.950 11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.049 0.356 12.148 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.576 -0.628 8.433 1.00 0.00 N ATOM 1410 CA GLY A 107 0.174 -1.323 7.400 1.00 0.00 C ATOM 1411 C GLY A 107 0.462 -2.759 7.782 1.00 0.00 C ATOM 1412 O GLY A 107 0.820 -3.038 8.926 1.00 0.00 O ATOM 0 H GLY A 107 -0.057 0.105 8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.388 -1.301 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.113 -0.800 7.219 1.00 0.00 H new ATOM 1416 N VAL A 108 0.317 -3.668 6.830 1.00 0.00 N ATOM 1417 CA VAL A 108 0.545 -5.084 7.081 1.00 0.00 C ATOM 1418 C VAL A 108 1.847 -5.557 6.443 1.00 0.00 C ATOM 1419 O VAL A 108 2.101 -5.308 5.262 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.624 -5.942 6.549 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.461 -7.401 6.947 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.955 -5.401 7.047 1.00 0.00 C ATOM 0 H VAL A 108 0.041 -3.450 5.873 1.00 0.00 H new ATOM 0 HA VAL A 108 0.614 -5.208 8.162 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.611 -5.886 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.299 -7.980 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.470 -7.789 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.438 -7.481 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.766 -6.019 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.971 -5.420 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.084 -4.376 6.700 1.00 0.00 H new ATOM 1432 N ALA A 109 2.666 -6.237 7.231 1.00 0.00 N ATOM 1433 CA ALA A 109 3.941 -6.747 6.750 1.00 0.00 C ATOM 1434 C ALA A 109 3.775 -8.131 6.138 1.00 0.00 C ATOM 1435 O ALA A 109 2.984 -8.946 6.623 1.00 0.00 O ATOM 1436 CB ALA A 109 4.959 -6.785 7.880 1.00 0.00 C ATOM 0 H ALA A 109 2.470 -6.449 8.209 1.00 0.00 H new ATOM 0 HA ALA A 109 4.306 -6.073 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.907 -7.169 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.105 -5.778 8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.595 -7.435 8.676 1.00 0.00 H new ATOM 1442 N ILE A 110 4.519 -8.395 5.075 1.00 0.00 N ATOM 1443 CA ILE A 110 4.463 -9.683 4.400 1.00 0.00 C ATOM 1444 C ILE A 110 5.866 -10.247 4.228 1.00 0.00 C ATOM 1445 O ILE A 110 6.855 -9.570 4.507 1.00 0.00 O ATOM 1446 CB ILE A 110 3.772 -9.591 3.019 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.472 -8.565 2.123 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.295 -9.243 3.182 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.024 -8.624 0.679 1.00 0.00 C ATOM 0 H ILE A 110 5.172 -7.731 4.659 1.00 0.00 H new ATOM 0 HA ILE A 110 3.868 -10.347 5.027 1.00 0.00 H new ATOM 0 HB ILE A 110 3.846 -10.566 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.284 -7.565 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.549 -8.728 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.825 -9.182 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.802 -10.015 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.201 -8.283 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.559 -7.871 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.237 -9.613 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.953 -8.431 0.622 1.00 0.00 H new ATOM 1461 N SER A 111 5.959 -11.485 3.776 1.00 0.00 N ATOM 1462 CA SER A 111 7.251 -12.123 3.573 1.00 0.00 C ATOM 1463 C SER A 111 7.155 -13.166 2.473 1.00 0.00 C ATOM 1464 O SER A 111 6.100 -13.773 2.279 1.00 0.00 O ATOM 1465 CB SER A 111 7.742 -12.761 4.876 1.00 0.00 C ATOM 1466 OG SER A 111 7.871 -11.788 5.900 1.00 0.00 O ATOM 0 H SER A 111 5.157 -12.070 3.542 1.00 0.00 H new ATOM 0 HA SER A 111 7.971 -11.363 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.044 -13.536 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.703 -13.247 4.708 1.00 0.00 H new ATOM 0 HG SER A 111 8.184 -12.219 6.723 1.00 0.00 H new ATOM 1472 N PHE A 112 8.251 -13.365 1.757 1.00 0.00 N ATOM 1473 CA PHE A 112 8.286 -14.329 0.669 1.00 0.00 C ATOM 1474 C PHE A 112 8.890 -15.646 1.139 1.00 0.00 C ATOM 1475 O PHE A 112 9.504 -15.718 2.209 1.00 0.00 O ATOM 1476 CB PHE A 112 9.105 -13.784 -0.501 1.00 0.00 C ATOM 1477 CG PHE A 112 8.763 -12.374 -0.896 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.481 -12.040 -1.301 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.732 -11.384 -0.866 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.172 -10.746 -1.670 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.428 -10.088 -1.232 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.147 -9.768 -1.635 1.00 0.00 C ATOM 0 H PHE A 112 9.130 -12.870 1.911 1.00 0.00 H new ATOM 0 HA PHE A 112 7.262 -14.504 0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.162 -13.829 -0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.961 -14.435 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.715 -12.800 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.736 -11.629 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.169 -10.499 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.192 -9.325 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.908 -8.755 -1.922 1.00 0.00 H new ATOM 1492 N ASN A 113 8.721 -16.683 0.333 1.00 0.00 N ATOM 1493 CA ASN A 113 9.263 -17.993 0.656 1.00 0.00 C ATOM 1494 C ASN A 113 10.711 -18.075 0.197 1.00 0.00 C ATOM 1495 O ASN A 113 11.505 -18.813 0.820 1.00 0.00 O ATOM 1496 CB ASN A 113 8.436 -19.114 0.007 1.00 0.00 C ATOM 1497 CG ASN A 113 8.239 -18.916 -1.482 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.095 -19.273 -2.290 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.089 -18.377 -1.854 1.00 0.00 N ATOM 1500 OXT ASN A 113 11.057 -17.378 -0.780 1.00 0.00 O ATOM 0 H ASN A 113 8.212 -16.642 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 113 9.216 -18.127 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.931 -20.070 0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.462 -19.168 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.885 -18.244 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.407 -18.095 -1.150 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.649 6.635 4.236 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.212 7.814 3.770 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.673 7.946 2.450 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.547 6.782 1.527 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.941 5.573 2.088 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.525 5.539 3.383 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.885 4.439 4.182 1.00 20.00 C HETATM 1515 C2' FLN A 114 3.671 3.518 4.877 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.059 2.502 5.615 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.666 2.361 5.703 1.00 20.00 C HETATM 1518 C5' FLN A 114 0.920 3.303 4.988 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.501 4.323 4.244 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.934 6.847 0.355 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.239 9.180 2.039 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.331 10.243 2.954 1.00 20.00 C HETATM 1523 C7 FLN A 114 4.855 10.073 4.272 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.299 8.863 4.685 1.00 20.00 C HETATM 0 H8 FLN A 114 3.938 8.739 5.706 1.00 20.00 H new HETATM 0 H7 FLN A 114 4.923 10.901 4.978 1.00 20.00 H new HETATM 0 H6' FLN A 114 0.871 5.033 3.708 1.00 20.00 H new HETATM 0 H6 FLN A 114 5.768 11.194 2.647 1.00 20.00 H new HETATM 0 H5' FLN A 114 -0.167 3.234 5.015 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.601 9.303 1.018 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.197 1.571 6.289 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.690 1.789 6.145 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.822 4.690 1.461 1.00 20.00 H new HETATM 0 H2' FLN A 114 4.758 3.591 4.844 1.00 20.00 H new