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= 0.395 K(o=-3.1,f=-11!) USER MOD Set 1.2: A 48 ASN : amide:sc= -3.47! C(o=-3.1!,f=-8.5!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.831 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.993 X(o=1.8,f=1.4) USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.0298 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 51:sc= 1.32 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -154:sc= -0.945 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00392 USER MOD Single : A 17 THR OG1 : rot 120:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.5!) USER MOD Single : A 30 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.982 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 53 SER OG : rot 144:sc= 0.00174 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 74:sc= 0.711 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 160:sc= 0.0206 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -94:sc= 0.885 USER MOD Single : A 81 THR OG1 : rot 57:sc= 0.986 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 123:sc= 0.886 USER MOD Single : A 90 THR OG1 : rot -42:sc= 0.252 USER MOD Single : A 94 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.33) USER MOD Single : A 98 SER OG : rot 180:sc= -0.122 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0292 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.503 5.188 15.841 1.00 0.00 N ATOM 2 CA ALA A 1 -17.033 3.855 15.489 1.00 0.00 C ATOM 3 C ALA A 1 -15.915 2.965 14.965 1.00 0.00 C ATOM 4 O ALA A 1 -15.025 3.431 14.254 1.00 0.00 O ATOM 5 CB ALA A 1 -18.139 3.984 14.451 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.131 5.923 15.458 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.454 5.280 16.876 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.551 5.301 15.438 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.450 3.397 16.386 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.520 2.994 14.201 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.948 4.593 14.855 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.742 4.457 13.553 1.00 0.00 H new ATOM 11 N ALA A 2 -15.947 1.694 15.342 1.00 0.00 N ATOM 12 CA ALA A 2 -14.938 0.744 14.900 1.00 0.00 C ATOM 13 C ALA A 2 -15.227 0.270 13.480 1.00 0.00 C ATOM 14 O ALA A 2 -16.332 -0.192 13.184 1.00 0.00 O ATOM 15 CB ALA A 2 -14.874 -0.444 15.847 1.00 0.00 C ATOM 0 H ALA A 2 -16.661 1.298 15.953 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.972 1.248 14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.114 -1.145 15.501 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.619 -0.098 16.849 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.843 -0.943 15.871 1.00 0.00 H new ATOM 21 N PRO A 3 -14.247 0.402 12.578 1.00 0.00 N ATOM 22 CA PRO A 3 -14.386 -0.020 11.188 1.00 0.00 C ATOM 23 C PRO A 3 -14.039 -1.498 10.998 1.00 0.00 C ATOM 24 O PRO A 3 -13.919 -2.246 11.972 1.00 0.00 O ATOM 25 CB PRO A 3 -13.373 0.873 10.475 1.00 0.00 C ATOM 26 CG PRO A 3 -12.276 1.062 11.470 1.00 0.00 C ATOM 27 CD PRO A 3 -12.917 0.989 12.837 1.00 0.00 C ATOM 0 HA PRO A 3 -15.405 0.075 10.814 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.005 0.405 9.562 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.817 1.826 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.514 0.291 11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.782 2.023 11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.334 0.370 13.519 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.998 1.976 13.293 1.00 0.00 H new ATOM 35 N THR A 4 -13.904 -1.919 9.746 1.00 0.00 N ATOM 36 CA THR A 4 -13.563 -3.300 9.433 1.00 0.00 C ATOM 37 C THR A 4 -12.577 -3.361 8.265 1.00 0.00 C ATOM 38 O THR A 4 -12.977 -3.438 7.101 1.00 0.00 O ATOM 39 CB THR A 4 -14.817 -4.126 9.078 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.934 -3.691 9.864 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.575 -5.608 9.320 1.00 0.00 C ATOM 0 H THR A 4 -14.026 -1.321 8.929 1.00 0.00 H new ATOM 0 HA THR A 4 -13.103 -3.727 10.324 1.00 0.00 H new ATOM 0 HB THR A 4 -15.034 -3.973 8.021 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.725 -4.220 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.473 -6.170 9.063 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.745 -5.947 8.700 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.334 -5.770 10.370 1.00 0.00 H new ATOM 49 N ALA A 5 -11.292 -3.300 8.572 1.00 0.00 N ATOM 50 CA ALA A 5 -10.259 -3.350 7.548 1.00 0.00 C ATOM 51 C ALA A 5 -9.820 -4.788 7.292 1.00 0.00 C ATOM 52 O ALA A 5 -8.892 -5.285 7.927 1.00 0.00 O ATOM 53 CB ALA A 5 -9.069 -2.490 7.952 1.00 0.00 C ATOM 0 H ALA A 5 -10.937 -3.216 9.525 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.675 -2.953 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.305 -2.538 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.393 -1.457 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.656 -2.859 8.891 1.00 0.00 H new ATOM 59 N THR A 6 -10.500 -5.456 6.374 1.00 0.00 N ATOM 60 CA THR A 6 -10.185 -6.837 6.045 1.00 0.00 C ATOM 61 C THR A 6 -9.161 -6.926 4.919 1.00 0.00 C ATOM 62 O THR A 6 -9.516 -6.982 3.740 1.00 0.00 O ATOM 63 CB THR A 6 -11.449 -7.613 5.641 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.413 -6.715 5.072 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.055 -8.325 6.840 1.00 0.00 C ATOM 0 H THR A 6 -11.276 -5.063 5.842 1.00 0.00 H new ATOM 0 HA THR A 6 -9.760 -7.285 6.943 1.00 0.00 H new ATOM 0 HB THR A 6 -11.168 -8.362 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.988 -6.182 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.948 -8.867 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.330 -9.027 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.322 -7.592 7.601 1.00 0.00 H new ATOM 73 N VAL A 7 -7.892 -6.910 5.282 1.00 0.00 N ATOM 74 CA VAL A 7 -6.823 -7.008 4.302 1.00 0.00 C ATOM 75 C VAL A 7 -6.222 -8.410 4.324 1.00 0.00 C ATOM 76 O VAL A 7 -6.074 -9.014 5.389 1.00 0.00 O ATOM 77 CB VAL A 7 -5.718 -5.955 4.545 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.251 -4.557 4.277 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.170 -6.047 5.960 1.00 0.00 C ATOM 0 H VAL A 7 -7.575 -6.830 6.248 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.256 -6.811 3.321 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.901 -6.161 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.461 -3.827 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.586 -4.488 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.089 -4.353 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.395 -5.294 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.976 -5.875 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.746 -7.038 6.122 1.00 0.00 H new ATOM 89 N THR A 8 -5.895 -8.931 3.155 1.00 0.00 N ATOM 90 CA THR A 8 -5.330 -10.263 3.047 1.00 0.00 C ATOM 91 C THR A 8 -3.856 -10.199 2.650 1.00 0.00 C ATOM 92 O THR A 8 -3.527 -9.854 1.514 1.00 0.00 O ATOM 93 CB THR A 8 -6.097 -11.116 2.020 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.510 -11.007 2.256 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.671 -12.576 2.102 1.00 0.00 C ATOM 0 H THR A 8 -6.012 -8.449 2.264 1.00 0.00 H new ATOM 0 HA THR A 8 -5.419 -10.730 4.028 1.00 0.00 H new ATOM 0 HB THR A 8 -5.865 -10.745 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.994 -11.550 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.226 -13.159 1.367 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.603 -12.656 1.897 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.878 -12.960 3.101 1.00 0.00 H new ATOM 103 N PRO A 9 -2.954 -10.508 3.592 1.00 0.00 N ATOM 104 CA PRO A 9 -1.513 -10.494 3.337 1.00 0.00 C ATOM 105 C PRO A 9 -1.060 -11.685 2.493 1.00 0.00 C ATOM 106 O PRO A 9 -1.794 -12.663 2.331 1.00 0.00 O ATOM 107 CB PRO A 9 -0.906 -10.566 4.740 1.00 0.00 C ATOM 108 CG PRO A 9 -1.933 -11.266 5.562 1.00 0.00 C ATOM 109 CD PRO A 9 -3.269 -10.886 4.982 1.00 0.00 C ATOM 0 HA PRO A 9 -1.206 -9.615 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.037 -11.112 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.696 -9.571 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.788 -12.346 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.864 -10.967 6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.973 -11.717 5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.722 -10.059 5.529 1.00 0.00 H new ATOM 117 N SER A 10 0.147 -11.594 1.954 1.00 0.00 N ATOM 118 CA SER A 10 0.701 -12.656 1.131 1.00 0.00 C ATOM 119 C SER A 10 1.951 -13.249 1.780 1.00 0.00 C ATOM 120 O SER A 10 2.892 -13.648 1.094 1.00 0.00 O ATOM 121 CB SER A 10 1.039 -12.110 -0.255 1.00 0.00 C ATOM 122 OG SER A 10 -0.022 -11.318 -0.760 1.00 0.00 O ATOM 0 H SER A 10 0.764 -10.790 2.074 1.00 0.00 H new ATOM 0 HA SER A 10 -0.043 -13.447 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.950 -11.514 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.238 -12.937 -0.937 1.00 0.00 H new ATOM 0 HG SER A 10 0.004 -11.322 -1.740 1.00 0.00 H new ATOM 128 N SER A 11 1.957 -13.297 3.105 1.00 0.00 N ATOM 129 CA SER A 11 3.083 -13.839 3.845 1.00 0.00 C ATOM 130 C SER A 11 3.247 -15.326 3.553 1.00 0.00 C ATOM 131 O SER A 11 2.407 -16.144 3.933 1.00 0.00 O ATOM 132 CB SER A 11 2.878 -13.605 5.340 1.00 0.00 C ATOM 133 OG SER A 11 2.400 -12.291 5.577 1.00 0.00 O ATOM 0 H SER A 11 1.190 -12.965 3.690 1.00 0.00 H new ATOM 0 HA SER A 11 3.993 -13.329 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.169 -14.333 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.818 -13.757 5.870 1.00 0.00 H new ATOM 0 HG SER A 11 2.272 -12.158 6.539 1.00 0.00 H new ATOM 139 N GLY A 12 4.319 -15.660 2.850 1.00 0.00 N ATOM 140 CA GLY A 12 4.580 -17.041 2.509 1.00 0.00 C ATOM 141 C GLY A 12 4.572 -17.262 1.015 1.00 0.00 C ATOM 142 O GLY A 12 5.088 -18.264 0.521 1.00 0.00 O ATOM 0 H GLY A 12 5.014 -14.996 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.547 -17.339 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.828 -17.678 2.975 1.00 0.00 H new ATOM 146 N LEU A 13 3.994 -16.319 0.287 1.00 0.00 N ATOM 147 CA LEU A 13 3.916 -16.421 -1.161 1.00 0.00 C ATOM 148 C LEU A 13 5.094 -15.704 -1.811 1.00 0.00 C ATOM 149 O LEU A 13 5.769 -14.901 -1.173 1.00 0.00 O ATOM 150 CB LEU A 13 2.582 -15.862 -1.669 1.00 0.00 C ATOM 151 CG LEU A 13 1.358 -16.736 -1.363 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.788 -16.423 0.013 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.292 -16.566 -2.430 1.00 0.00 C ATOM 0 H LEU A 13 3.573 -15.475 0.675 1.00 0.00 H new ATOM 0 HA LEU A 13 3.967 -17.474 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.426 -14.877 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.650 -15.722 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 13 1.685 -17.776 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.078 -17.058 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.547 -16.610 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.486 -15.376 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.565 -17.195 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.023 -15.523 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.697 -16.857 -3.399 1.00 0.00 H new ATOM 165 N SER A 14 5.353 -16.021 -3.069 1.00 0.00 N ATOM 166 CA SER A 14 6.453 -15.417 -3.804 1.00 0.00 C ATOM 167 C SER A 14 6.081 -14.016 -4.298 1.00 0.00 C ATOM 168 O SER A 14 5.034 -13.480 -3.936 1.00 0.00 O ATOM 169 CB SER A 14 6.822 -16.315 -4.983 1.00 0.00 C ATOM 170 OG SER A 14 6.734 -17.687 -4.621 1.00 0.00 O ATOM 0 H SER A 14 4.812 -16.699 -3.606 1.00 0.00 H new ATOM 0 HA SER A 14 7.310 -15.317 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.156 -16.112 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.834 -16.087 -5.317 1.00 0.00 H new ATOM 0 HG SER A 14 6.973 -18.244 -5.391 1.00 0.00 H new ATOM 176 N ASP A 15 6.944 -13.426 -5.113 1.00 0.00 N ATOM 177 CA ASP A 15 6.691 -12.097 -5.654 1.00 0.00 C ATOM 178 C ASP A 15 5.756 -12.193 -6.853 1.00 0.00 C ATOM 179 O ASP A 15 5.601 -13.264 -7.443 1.00 0.00 O ATOM 180 CB ASP A 15 7.998 -11.402 -6.053 1.00 0.00 C ATOM 181 CG ASP A 15 8.604 -11.957 -7.326 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.170 -13.072 -7.287 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.538 -11.273 -8.365 1.00 0.00 O ATOM 0 H ASP A 15 7.824 -13.845 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 15 6.217 -11.497 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.811 -10.336 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.718 -11.503 -5.241 1.00 0.00 H new ATOM 188 N GLY A 16 5.130 -11.079 -7.201 1.00 0.00 N ATOM 189 CA GLY A 16 4.200 -11.069 -8.313 1.00 0.00 C ATOM 190 C GLY A 16 2.834 -11.564 -7.885 1.00 0.00 C ATOM 191 O GLY A 16 1.978 -11.870 -8.715 1.00 0.00 O ATOM 0 H GLY A 16 5.249 -10.180 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.116 -10.058 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.583 -11.698 -9.117 1.00 0.00 H new ATOM 195 N THR A 17 2.646 -11.646 -6.574 1.00 0.00 N ATOM 196 CA THR A 17 1.402 -12.107 -5.990 1.00 0.00 C ATOM 197 C THR A 17 0.404 -10.960 -5.844 1.00 0.00 C ATOM 198 O THR A 17 0.788 -9.802 -5.649 1.00 0.00 O ATOM 199 CB THR A 17 1.671 -12.764 -4.619 1.00 0.00 C ATOM 200 OG1 THR A 17 2.607 -13.836 -4.783 1.00 0.00 O ATOM 201 CG2 THR A 17 0.395 -13.304 -3.996 1.00 0.00 C ATOM 0 H THR A 17 3.357 -11.393 -5.887 1.00 0.00 H new ATOM 0 HA THR A 17 0.965 -12.848 -6.659 1.00 0.00 H new ATOM 0 HB THR A 17 2.076 -12.002 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.408 -13.656 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.625 -13.759 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.313 -12.488 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.043 -14.053 -4.655 1.00 0.00 H new ATOM 209 N VAL A 18 -0.873 -11.293 -5.959 1.00 0.00 N ATOM 210 CA VAL A 18 -1.939 -10.316 -5.850 1.00 0.00 C ATOM 211 C VAL A 18 -2.411 -10.173 -4.403 1.00 0.00 C ATOM 212 O VAL A 18 -2.976 -11.104 -3.821 1.00 0.00 O ATOM 213 CB VAL A 18 -3.132 -10.701 -6.748 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.210 -9.633 -6.699 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.671 -10.929 -8.179 1.00 0.00 C ATOM 0 H VAL A 18 -1.196 -12.245 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.538 -9.359 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.557 -11.631 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.042 -9.926 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.564 -9.520 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.799 -8.685 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.526 -11.200 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.218 -10.016 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.938 -11.735 -8.201 1.00 0.00 H new ATOM 225 N VAL A 19 -2.161 -9.009 -3.823 1.00 0.00 N ATOM 226 CA VAL A 19 -2.568 -8.721 -2.454 1.00 0.00 C ATOM 227 C VAL A 19 -3.956 -8.095 -2.462 1.00 0.00 C ATOM 228 O VAL A 19 -4.207 -7.155 -3.218 1.00 0.00 O ATOM 229 CB VAL A 19 -1.580 -7.759 -1.758 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.902 -7.627 -0.276 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.142 -8.220 -1.963 1.00 0.00 C ATOM 0 H VAL A 19 -1.673 -8.241 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.576 -9.659 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.689 -6.775 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.192 -6.944 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.913 -7.237 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.832 -8.605 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.537 -7.528 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.016 -9.218 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.084 -8.245 -3.029 1.00 0.00 H new ATOM 241 N LYS A 20 -4.853 -8.605 -1.631 1.00 0.00 N ATOM 242 CA LYS A 20 -6.214 -8.088 -1.580 1.00 0.00 C ATOM 243 C LYS A 20 -6.414 -7.159 -0.388 1.00 0.00 C ATOM 244 O LYS A 20 -6.096 -7.507 0.752 1.00 0.00 O ATOM 245 CB LYS A 20 -7.224 -9.236 -1.519 1.00 0.00 C ATOM 246 CG LYS A 20 -8.666 -8.763 -1.430 1.00 0.00 C ATOM 247 CD LYS A 20 -9.645 -9.908 -1.613 1.00 0.00 C ATOM 248 CE LYS A 20 -9.644 -10.416 -3.044 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.806 -11.295 -3.319 1.00 0.00 N ATOM 0 H LYS A 20 -4.665 -9.372 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.380 -7.514 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.108 -9.861 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.000 -9.862 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.835 -8.291 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.848 -8.004 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.385 -10.722 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.648 -9.577 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.659 -9.569 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.721 -10.964 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.769 -11.621 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.778 -12.117 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.687 -10.765 -3.162 1.00 0.00 H new ATOM 263 N VAL A 21 -6.947 -5.979 -0.666 1.00 0.00 N ATOM 264 CA VAL A 21 -7.218 -4.989 0.363 1.00 0.00 C ATOM 265 C VAL A 21 -8.685 -4.581 0.304 1.00 0.00 C ATOM 266 O VAL A 21 -9.112 -3.915 -0.640 1.00 0.00 O ATOM 267 CB VAL A 21 -6.311 -3.744 0.210 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.804 -2.594 1.078 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.872 -4.094 0.563 1.00 0.00 C ATOM 0 H VAL A 21 -7.203 -5.682 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.000 -5.437 1.332 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.352 -3.422 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.147 -1.734 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.818 -2.324 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.800 -2.900 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.245 -3.210 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.825 -4.444 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.515 -4.879 -0.103 1.00 0.00 H new ATOM 279 N ALA A 22 -9.457 -5.019 1.290 1.00 0.00 N ATOM 280 CA ALA A 22 -10.874 -4.695 1.350 1.00 0.00 C ATOM 281 C ALA A 22 -11.212 -4.025 2.674 1.00 0.00 C ATOM 282 O ALA A 22 -11.345 -4.687 3.703 1.00 0.00 O ATOM 283 CB ALA A 22 -11.709 -5.950 1.154 1.00 0.00 C ATOM 0 H ALA A 22 -9.124 -5.600 2.059 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.107 -3.997 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.767 -5.694 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.485 -6.388 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.475 -6.669 1.939 1.00 0.00 H new ATOM 289 N GLY A 23 -11.351 -2.711 2.647 1.00 0.00 N ATOM 290 CA GLY A 23 -11.658 -1.983 3.859 1.00 0.00 C ATOM 291 C GLY A 23 -13.092 -1.500 3.908 1.00 0.00 C ATOM 292 O GLY A 23 -13.599 -0.947 2.933 1.00 0.00 O ATOM 0 H GLY A 23 -11.257 -2.136 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.466 -2.623 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.988 -1.127 3.942 1.00 0.00 H new ATOM 296 N ALA A 24 -13.746 -1.723 5.036 1.00 0.00 N ATOM 297 CA ALA A 24 -15.121 -1.292 5.227 1.00 0.00 C ATOM 298 C ALA A 24 -15.207 -0.346 6.416 1.00 0.00 C ATOM 299 O ALA A 24 -14.465 -0.497 7.391 1.00 0.00 O ATOM 300 CB ALA A 24 -16.030 -2.492 5.435 1.00 0.00 C ATOM 0 H ALA A 24 -13.342 -2.204 5.840 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.452 -0.764 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.056 -2.151 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.981 -3.142 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.707 -3.045 6.317 1.00 0.00 H new ATOM 306 N GLY A 25 -16.104 0.626 6.336 1.00 0.00 N ATOM 307 CA GLY A 25 -16.247 1.584 7.411 1.00 0.00 C ATOM 308 C GLY A 25 -15.385 2.803 7.177 1.00 0.00 C ATOM 309 O GLY A 25 -14.912 3.437 8.123 1.00 0.00 O ATOM 0 H GLY A 25 -16.734 0.768 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.291 1.885 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.971 1.117 8.357 1.00 0.00 H new ATOM 313 N LEU A 26 -15.173 3.121 5.907 1.00 0.00 N ATOM 314 CA LEU A 26 -14.352 4.260 5.521 1.00 0.00 C ATOM 315 C LEU A 26 -15.232 5.438 5.112 1.00 0.00 C ATOM 316 O LEU A 26 -16.446 5.292 4.950 1.00 0.00 O ATOM 317 CB LEU A 26 -13.428 3.877 4.361 1.00 0.00 C ATOM 318 CG LEU A 26 -12.624 2.585 4.551 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.860 2.236 3.278 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.673 2.711 5.737 1.00 0.00 C ATOM 0 H LEU A 26 -15.562 2.601 5.121 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.746 4.554 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.030 3.779 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.730 4.696 4.191 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.322 1.775 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.296 1.316 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.564 2.096 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.173 3.046 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.112 1.784 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.980 3.534 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.246 2.906 6.644 1.00 0.00 H new ATOM 332 N GLN A 27 -14.619 6.600 4.944 1.00 0.00 N ATOM 333 CA GLN A 27 -15.343 7.796 4.550 1.00 0.00 C ATOM 334 C GLN A 27 -15.698 7.727 3.070 1.00 0.00 C ATOM 335 O GLN A 27 -14.823 7.841 2.206 1.00 0.00 O ATOM 336 CB GLN A 27 -14.491 9.034 4.830 1.00 0.00 C ATOM 337 CG GLN A 27 -15.161 10.344 4.452 1.00 0.00 C ATOM 338 CD GLN A 27 -15.967 10.943 5.592 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.640 10.758 6.768 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.025 11.659 5.252 1.00 0.00 N ATOM 0 H GLN A 27 -13.617 6.739 5.075 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.264 7.862 5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.242 9.058 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.552 8.947 4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.400 11.058 4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.817 10.178 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.259 11.787 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.607 12.084 5.974 1.00 0.00 H new ATOM 349 N ALA A 28 -16.978 7.534 2.789 1.00 0.00 N ATOM 350 CA ALA A 28 -17.466 7.436 1.423 1.00 0.00 C ATOM 351 C ALA A 28 -17.124 8.687 0.630 1.00 0.00 C ATOM 352 O ALA A 28 -17.421 9.803 1.054 1.00 0.00 O ATOM 353 CB ALA A 28 -18.967 7.203 1.424 1.00 0.00 C ATOM 0 H ALA A 28 -17.705 7.441 3.499 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.975 6.590 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.325 7.131 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.191 6.276 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.464 8.035 1.924 1.00 0.00 H new ATOM 359 N GLY A 29 -16.487 8.498 -0.517 1.00 0.00 N ATOM 360 CA GLY A 29 -16.114 9.625 -1.349 1.00 0.00 C ATOM 361 C GLY A 29 -14.629 9.930 -1.304 1.00 0.00 C ATOM 362 O GLY A 29 -14.136 10.745 -2.083 1.00 0.00 O ATOM 0 H GLY A 29 -16.222 7.585 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.406 9.421 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.670 10.506 -1.028 1.00 0.00 H new ATOM 366 N THR A 30 -13.916 9.287 -0.392 1.00 0.00 N ATOM 367 CA THR A 30 -12.482 9.505 -0.257 1.00 0.00 C ATOM 368 C THR A 30 -11.695 8.490 -1.085 1.00 0.00 C ATOM 369 O THR A 30 -12.104 7.337 -1.220 1.00 0.00 O ATOM 370 CB THR A 30 -12.046 9.388 1.214 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.065 9.928 2.066 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.731 10.116 1.464 1.00 0.00 C ATOM 0 H THR A 30 -14.305 8.611 0.265 1.00 0.00 H new ATOM 0 HA THR A 30 -12.272 10.511 -0.620 1.00 0.00 H new ATOM 0 HB THR A 30 -11.897 8.332 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.828 9.314 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.452 10.013 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.951 9.684 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.848 11.172 1.221 1.00 0.00 H new ATOM 380 N ALA A 31 -10.574 8.926 -1.645 1.00 0.00 N ATOM 381 CA ALA A 31 -9.732 8.046 -2.441 1.00 0.00 C ATOM 382 C ALA A 31 -8.573 7.525 -1.605 1.00 0.00 C ATOM 383 O ALA A 31 -7.912 8.288 -0.899 1.00 0.00 O ATOM 384 CB ALA A 31 -9.218 8.767 -3.675 1.00 0.00 C ATOM 0 H ALA A 31 -10.228 9.882 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.333 7.197 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.591 8.091 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.061 9.093 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.633 9.635 -3.372 1.00 0.00 H new ATOM 390 N TYR A 32 -8.328 6.227 -1.687 1.00 0.00 N ATOM 391 CA TYR A 32 -7.258 5.602 -0.928 1.00 0.00 C ATOM 392 C TYR A 32 -6.200 5.023 -1.857 1.00 0.00 C ATOM 393 O TYR A 32 -6.496 4.189 -2.715 1.00 0.00 O ATOM 394 CB TYR A 32 -7.816 4.499 -0.024 1.00 0.00 C ATOM 395 CG TYR A 32 -8.745 5.004 1.062 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.067 5.323 0.778 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.299 5.163 2.369 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.916 5.785 1.764 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.144 5.624 3.360 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.450 5.937 3.053 1.00 0.00 C ATOM 401 OH TYR A 32 -11.294 6.401 4.037 1.00 0.00 O ATOM 0 H TYR A 32 -8.859 5.584 -2.274 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.794 6.369 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.352 3.776 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.985 3.969 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.437 5.208 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.275 4.922 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.942 6.027 1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.782 5.739 4.371 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.810 6.449 4.888 1.00 0.00 H new ATOM 411 N ASP A 33 -4.969 5.473 -1.685 1.00 0.00 N ATOM 412 CA ASP A 33 -3.857 4.998 -2.496 1.00 0.00 C ATOM 413 C ASP A 33 -3.228 3.782 -1.829 1.00 0.00 C ATOM 414 O ASP A 33 -2.646 3.896 -0.748 1.00 0.00 O ATOM 415 CB ASP A 33 -2.807 6.102 -2.674 1.00 0.00 C ATOM 416 CG ASP A 33 -3.193 7.133 -3.719 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.298 7.709 -3.630 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.376 7.394 -4.628 1.00 0.00 O ATOM 0 H ASP A 33 -4.712 6.171 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.231 4.721 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.651 6.603 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.856 5.648 -2.955 1.00 0.00 H new ATOM 423 N VAL A 34 -3.356 2.620 -2.458 1.00 0.00 N ATOM 424 CA VAL A 34 -2.818 1.389 -1.891 1.00 0.00 C ATOM 425 C VAL A 34 -1.664 0.837 -2.724 1.00 0.00 C ATOM 426 O VAL A 34 -1.739 0.789 -3.952 1.00 0.00 O ATOM 427 CB VAL A 34 -3.904 0.297 -1.775 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.499 -0.755 -0.753 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.258 0.896 -1.425 1.00 0.00 C ATOM 0 H VAL A 34 -3.825 2.504 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.452 1.648 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.997 -0.185 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.277 -1.515 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.563 -1.220 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.367 -0.284 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.000 0.101 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.189 1.418 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.557 1.599 -2.202 1.00 0.00 H new ATOM 439 N GLY A 35 -0.598 0.427 -2.043 1.00 0.00 N ATOM 440 CA GLY A 35 0.557 -0.140 -2.714 1.00 0.00 C ATOM 441 C GLY A 35 1.479 -0.808 -1.715 1.00 0.00 C ATOM 442 O GLY A 35 1.191 -0.802 -0.515 1.00 0.00 O ATOM 0 H GLY A 35 -0.514 0.479 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.231 -0.866 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.096 0.643 -3.247 1.00 0.00 H new ATOM 446 N GLN A 36 2.579 -1.391 -2.177 1.00 0.00 N ATOM 447 CA GLN A 36 3.518 -2.030 -1.262 1.00 0.00 C ATOM 448 C GLN A 36 4.406 -0.976 -0.611 1.00 0.00 C ATOM 449 O GLN A 36 5.562 -0.791 -0.982 1.00 0.00 O ATOM 450 CB GLN A 36 4.367 -3.101 -1.958 1.00 0.00 C ATOM 451 CG GLN A 36 4.957 -2.672 -3.293 1.00 0.00 C ATOM 452 CD GLN A 36 5.834 -3.739 -3.921 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.826 -3.926 -5.135 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.614 -4.435 -3.107 1.00 0.00 N ATOM 0 H GLN A 36 2.840 -1.435 -3.162 1.00 0.00 H new ATOM 0 HA GLN A 36 2.938 -2.538 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.180 -3.391 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.753 -3.988 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.147 -2.424 -3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.543 -1.764 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.595 -4.253 -2.103 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.233 -5.152 -3.484 1.00 0.00 H new ATOM 463 N CYS A 37 3.830 -0.267 0.341 1.00 0.00 N ATOM 464 CA CYS A 37 4.529 0.785 1.060 1.00 0.00 C ATOM 465 C CYS A 37 5.499 0.201 2.077 1.00 0.00 C ATOM 466 O CYS A 37 5.141 -0.031 3.231 1.00 0.00 O ATOM 467 CB CYS A 37 3.517 1.700 1.746 1.00 0.00 C ATOM 468 SG CYS A 37 2.050 2.060 0.722 1.00 0.00 S ATOM 0 H CYS A 37 2.864 -0.403 0.639 1.00 0.00 H new ATOM 0 HA CYS A 37 5.110 1.368 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.195 1.237 2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.006 2.638 2.008 1.00 0.00 H new ATOM 473 N ALA A 38 6.720 -0.042 1.628 1.00 0.00 N ATOM 474 CA ALA A 38 7.757 -0.599 2.478 1.00 0.00 C ATOM 475 C ALA A 38 8.733 0.488 2.902 1.00 0.00 C ATOM 476 O ALA A 38 8.640 1.627 2.438 1.00 0.00 O ATOM 477 CB ALA A 38 8.487 -1.725 1.758 1.00 0.00 C ATOM 0 H ALA A 38 7.018 0.140 0.670 1.00 0.00 H new ATOM 0 HA ALA A 38 7.290 -1.011 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.261 -2.132 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.778 -2.512 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.945 -1.338 0.848 1.00 0.00 H new ATOM 483 N TRP A 39 9.661 0.139 3.782 1.00 0.00 N ATOM 484 CA TRP A 39 10.651 1.092 4.269 1.00 0.00 C ATOM 485 C TRP A 39 11.604 1.500 3.149 1.00 0.00 C ATOM 486 O TRP A 39 12.366 0.683 2.632 1.00 0.00 O ATOM 487 CB TRP A 39 11.430 0.504 5.446 1.00 0.00 C ATOM 488 CG TRP A 39 10.600 0.339 6.684 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.458 -0.396 6.814 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.846 0.922 7.968 1.00 0.00 C ATOM 491 NE1 TRP A 39 8.979 -0.300 8.095 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.812 0.499 8.823 1.00 0.00 C ATOM 493 CE3 TRP A 39 11.839 1.759 8.479 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.740 0.885 10.157 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.767 2.141 9.806 1.00 0.00 C ATOM 496 CH2 TRP A 39 10.725 1.704 10.630 1.00 0.00 C ATOM 0 H TRP A 39 9.750 -0.798 4.174 1.00 0.00 H new ATOM 0 HA TRP A 39 10.125 1.983 4.613 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.835 -0.466 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.279 1.150 5.670 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.998 -0.970 6.023 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.136 -0.753 8.447 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.648 2.102 7.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.936 0.550 10.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.529 2.789 10.213 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.699 2.021 11.662 1.00 0.00 H new ATOM 507 N VAL A 40 11.547 2.767 2.777 1.00 0.00 N ATOM 508 CA VAL A 40 12.391 3.292 1.719 1.00 0.00 C ATOM 509 C VAL A 40 13.633 3.965 2.303 1.00 0.00 C ATOM 510 O VAL A 40 14.654 4.109 1.626 1.00 0.00 O ATOM 511 CB VAL A 40 11.608 4.286 0.822 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.309 5.590 1.554 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.361 4.554 -0.471 1.00 0.00 C ATOM 0 H VAL A 40 10.921 3.455 3.195 1.00 0.00 H new ATOM 0 HA VAL A 40 12.710 2.454 1.099 1.00 0.00 H new ATOM 0 HB VAL A 40 10.653 3.822 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.760 6.260 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.709 5.381 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.245 6.062 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.793 5.254 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.337 4.982 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.493 3.619 -1.015 1.00 0.00 H new ATOM 523 N ASP A 41 13.539 4.364 3.565 1.00 0.00 N ATOM 524 CA ASP A 41 14.648 5.017 4.249 1.00 0.00 C ATOM 525 C ASP A 41 14.554 4.764 5.749 1.00 0.00 C ATOM 526 O ASP A 41 13.840 3.858 6.186 1.00 0.00 O ATOM 527 CB ASP A 41 14.646 6.524 3.966 1.00 0.00 C ATOM 528 CG ASP A 41 16.013 7.152 4.160 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.851 7.067 3.236 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.261 7.723 5.241 1.00 0.00 O ATOM 0 H ASP A 41 12.703 4.246 4.137 1.00 0.00 H new ATOM 0 HA ASP A 41 15.582 4.599 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.311 6.698 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.928 7.013 4.624 1.00 0.00 H new ATOM 535 N THR A 42 15.260 5.566 6.531 1.00 0.00 N ATOM 536 CA THR A 42 15.268 5.430 7.975 1.00 0.00 C ATOM 537 C THR A 42 13.956 5.922 8.575 1.00 0.00 C ATOM 538 O THR A 42 13.810 7.098 8.900 1.00 0.00 O ATOM 539 CB THR A 42 16.443 6.215 8.588 1.00 0.00 C ATOM 540 OG1 THR A 42 17.518 6.296 7.639 1.00 0.00 O ATOM 541 CG2 THR A 42 16.933 5.548 9.863 1.00 0.00 C ATOM 0 H THR A 42 15.842 6.327 6.181 1.00 0.00 H new ATOM 0 HA THR A 42 15.386 4.372 8.208 1.00 0.00 H new ATOM 0 HB THR A 42 16.097 7.218 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.263 6.797 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.763 6.120 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.121 5.509 10.589 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.267 4.535 9.638 1.00 0.00 H new ATOM 549 N GLY A 43 12.990 5.023 8.688 1.00 0.00 N ATOM 550 CA GLY A 43 11.701 5.377 9.250 1.00 0.00 C ATOM 551 C GLY A 43 10.714 5.835 8.199 1.00 0.00 C ATOM 552 O GLY A 43 9.506 5.853 8.434 1.00 0.00 O ATOM 0 H GLY A 43 13.076 4.049 8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.290 4.516 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.835 6.169 9.987 1.00 0.00 H new ATOM 556 N VAL A 44 11.224 6.200 7.033 1.00 0.00 N ATOM 557 CA VAL A 44 10.377 6.665 5.948 1.00 0.00 C ATOM 558 C VAL A 44 9.948 5.494 5.073 1.00 0.00 C ATOM 559 O VAL A 44 10.784 4.703 4.625 1.00 0.00 O ATOM 560 CB VAL A 44 11.097 7.717 5.074 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.132 8.356 4.086 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.752 8.782 5.939 1.00 0.00 C ATOM 0 H VAL A 44 12.220 6.183 6.815 1.00 0.00 H new ATOM 0 HA VAL A 44 9.500 7.131 6.397 1.00 0.00 H new ATOM 0 HB VAL A 44 11.876 7.205 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.663 9.092 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.715 7.587 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.325 8.847 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.252 9.511 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.991 9.284 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.483 8.315 6.600 1.00 0.00 H new ATOM 572 N LEU A 45 8.652 5.372 4.851 1.00 0.00 N ATOM 573 CA LEU A 45 8.117 4.303 4.021 1.00 0.00 C ATOM 574 C LEU A 45 7.633 4.874 2.696 1.00 0.00 C ATOM 575 O LEU A 45 7.387 6.074 2.591 1.00 0.00 O ATOM 576 CB LEU A 45 6.972 3.580 4.739 1.00 0.00 C ATOM 577 CG LEU A 45 7.395 2.655 5.887 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.416 3.403 7.213 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.472 1.449 5.970 1.00 0.00 C ATOM 0 H LEU A 45 7.947 6.001 5.234 1.00 0.00 H new ATOM 0 HA LEU A 45 8.909 3.579 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.283 4.327 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.420 2.992 4.006 1.00 0.00 H new ATOM 0 HG LEU A 45 8.406 2.304 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.719 2.723 8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.123 4.230 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.420 3.792 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.788 0.805 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.450 1.785 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.516 0.892 5.034 1.00 0.00 H new ATOM 591 N ALA A 46 7.516 4.022 1.685 1.00 0.00 N ATOM 592 CA ALA A 46 7.065 4.453 0.370 1.00 0.00 C ATOM 593 C ALA A 46 6.475 3.287 -0.408 1.00 0.00 C ATOM 594 O ALA A 46 6.944 2.156 -0.284 1.00 0.00 O ATOM 595 CB ALA A 46 8.214 5.070 -0.402 1.00 0.00 C ATOM 0 H ALA A 46 7.728 3.027 1.752 1.00 0.00 H new ATOM 0 HA ALA A 46 6.286 5.204 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.863 5.388 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.597 5.932 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.009 4.334 -0.522 1.00 0.00 H new ATOM 601 N CYS A 47 5.458 3.566 -1.212 1.00 0.00 N ATOM 602 CA CYS A 47 4.802 2.531 -2.008 1.00 0.00 C ATOM 603 C CYS A 47 5.310 2.564 -3.443 1.00 0.00 C ATOM 604 O CYS A 47 6.095 3.439 -3.804 1.00 0.00 O ATOM 605 CB CYS A 47 3.281 2.727 -1.993 1.00 0.00 C ATOM 606 SG CYS A 47 2.646 3.566 -0.504 1.00 0.00 S ATOM 0 H CYS A 47 5.067 4.500 -1.332 1.00 0.00 H new ATOM 0 HA CYS A 47 5.038 1.561 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.992 3.304 -2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.800 1.753 -2.079 1.00 0.00 H new ATOM 611 N ASN A 48 4.865 1.617 -4.257 1.00 0.00 N ATOM 612 CA ASN A 48 5.279 1.556 -5.654 1.00 0.00 C ATOM 613 C ASN A 48 4.219 2.185 -6.556 1.00 0.00 C ATOM 614 O ASN A 48 3.048 1.825 -6.502 1.00 0.00 O ATOM 615 CB ASN A 48 5.554 0.106 -6.082 1.00 0.00 C ATOM 616 CG ASN A 48 4.337 -0.802 -5.989 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.480 -0.645 -5.116 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.266 -1.777 -6.880 1.00 0.00 N ATOM 0 H ASN A 48 4.218 0.881 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 48 6.204 2.123 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.920 0.103 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.349 -0.303 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.483 -2.431 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.994 -1.875 -7.588 1.00 0.00 H new ATOM 625 N PRO A 49 4.619 3.141 -7.401 1.00 0.00 N ATOM 626 CA PRO A 49 3.702 3.826 -8.306 1.00 0.00 C ATOM 627 C PRO A 49 3.509 3.077 -9.618 1.00 0.00 C ATOM 628 O PRO A 49 2.835 3.558 -10.529 1.00 0.00 O ATOM 629 CB PRO A 49 4.418 5.148 -8.555 1.00 0.00 C ATOM 630 CG PRO A 49 5.865 4.796 -8.509 1.00 0.00 C ATOM 631 CD PRO A 49 5.997 3.651 -7.534 1.00 0.00 C ATOM 0 HA PRO A 49 2.700 3.923 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.143 5.574 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.164 5.887 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.226 4.508 -9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.462 5.650 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.673 2.883 -7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.394 3.986 -6.576 1.00 0.00 H new ATOM 639 N ALA A 50 4.109 1.901 -9.713 1.00 0.00 N ATOM 640 CA ALA A 50 4.025 1.102 -10.923 1.00 0.00 C ATOM 641 C ALA A 50 2.907 0.068 -10.855 1.00 0.00 C ATOM 642 O ALA A 50 2.304 -0.261 -11.874 1.00 0.00 O ATOM 643 CB ALA A 50 5.360 0.426 -11.184 1.00 0.00 C ATOM 0 H ALA A 50 4.660 1.479 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 50 3.787 1.773 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.293 -0.173 -12.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.134 1.184 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.612 -0.219 -10.342 1.00 0.00 H new ATOM 649 N ASP A 51 2.615 -0.429 -9.658 1.00 0.00 N ATOM 650 CA ASP A 51 1.576 -1.449 -9.501 1.00 0.00 C ATOM 651 C ASP A 51 0.602 -1.104 -8.382 1.00 0.00 C ATOM 652 O ASP A 51 0.037 -2.000 -7.748 1.00 0.00 O ATOM 653 CB ASP A 51 2.200 -2.818 -9.216 1.00 0.00 C ATOM 654 CG ASP A 51 2.810 -3.457 -10.445 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.053 -3.961 -11.305 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.050 -3.475 -10.553 1.00 0.00 O ATOM 0 H ASP A 51 3.074 -0.149 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 51 1.025 -1.482 -10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.968 -2.709 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.437 -3.481 -8.809 1.00 0.00 H new ATOM 661 N PHE A 52 0.390 0.181 -8.149 1.00 0.00 N ATOM 662 CA PHE A 52 -0.521 0.613 -7.100 1.00 0.00 C ATOM 663 C PHE A 52 -1.916 0.823 -7.672 1.00 0.00 C ATOM 664 O PHE A 52 -2.089 0.926 -8.890 1.00 0.00 O ATOM 665 CB PHE A 52 -0.014 1.901 -6.437 1.00 0.00 C ATOM 666 CG PHE A 52 -0.420 3.167 -7.139 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.215 3.572 -8.301 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.438 3.956 -6.627 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.158 4.739 -8.939 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.812 5.122 -7.260 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.173 5.515 -8.416 1.00 0.00 C ATOM 0 H PHE A 52 0.833 0.939 -8.668 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.567 -0.166 -6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.382 1.936 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.074 1.863 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.011 2.969 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.944 3.654 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.344 5.044 -9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.606 5.728 -6.850 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.466 6.429 -8.912 1.00 0.00 H new ATOM 681 N SER A 53 -2.908 0.888 -6.802 1.00 0.00 N ATOM 682 CA SER A 53 -4.279 1.087 -7.234 1.00 0.00 C ATOM 683 C SER A 53 -4.998 2.055 -6.305 1.00 0.00 C ATOM 684 O SER A 53 -5.124 1.805 -5.106 1.00 0.00 O ATOM 685 CB SER A 53 -5.024 -0.252 -7.281 1.00 0.00 C ATOM 686 OG SER A 53 -4.386 -1.179 -8.154 1.00 0.00 O ATOM 0 H SER A 53 -2.789 0.806 -5.792 1.00 0.00 H new ATOM 0 HA SER A 53 -4.264 1.515 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.077 -0.674 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.049 -0.087 -7.612 1.00 0.00 H new ATOM 0 HG SER A 53 -4.455 -2.082 -7.779 1.00 0.00 H new ATOM 692 N SER A 54 -5.429 3.180 -6.854 1.00 0.00 N ATOM 693 CA SER A 54 -6.154 4.171 -6.085 1.00 0.00 C ATOM 694 C SER A 54 -7.632 3.807 -6.047 1.00 0.00 C ATOM 695 O SER A 54 -8.366 4.022 -7.015 1.00 0.00 O ATOM 696 CB SER A 54 -5.964 5.559 -6.696 1.00 0.00 C ATOM 697 OG SER A 54 -5.000 5.534 -7.736 1.00 0.00 O ATOM 0 H SER A 54 -5.287 3.427 -7.833 1.00 0.00 H new ATOM 0 HA SER A 54 -5.765 4.188 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.915 5.920 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.650 6.260 -5.922 1.00 0.00 H new ATOM 0 HG SER A 54 -4.899 6.434 -8.110 1.00 0.00 H new ATOM 703 N VAL A 55 -8.063 3.228 -4.941 1.00 0.00 N ATOM 704 CA VAL A 55 -9.448 2.824 -4.793 1.00 0.00 C ATOM 705 C VAL A 55 -10.244 3.909 -4.085 1.00 0.00 C ATOM 706 O VAL A 55 -9.842 4.410 -3.033 1.00 0.00 O ATOM 707 CB VAL A 55 -9.570 1.478 -4.038 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.929 1.550 -2.660 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.026 1.045 -3.936 1.00 0.00 C ATOM 0 H VAL A 55 -7.474 3.027 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.862 2.680 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.028 0.727 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.034 0.588 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.871 1.792 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.422 2.322 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.087 0.097 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.594 1.803 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.441 0.925 -4.937 1.00 0.00 H new ATOM 719 N THR A 56 -11.352 4.299 -4.685 1.00 0.00 N ATOM 720 CA THR A 56 -12.197 5.319 -4.109 1.00 0.00 C ATOM 721 C THR A 56 -13.314 4.674 -3.294 1.00 0.00 C ATOM 722 O THR A 56 -13.892 3.659 -3.697 1.00 0.00 O ATOM 723 CB THR A 56 -12.766 6.261 -5.200 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.279 7.461 -4.605 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.860 5.588 -6.013 1.00 0.00 C ATOM 0 H THR A 56 -11.686 3.922 -5.572 1.00 0.00 H new ATOM 0 HA THR A 56 -11.592 5.932 -3.440 1.00 0.00 H new ATOM 0 HB THR A 56 -11.946 6.508 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.634 8.048 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.232 6.282 -6.767 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.456 4.702 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.677 5.297 -5.353 1.00 0.00 H new ATOM 733 N ALA A 57 -13.577 5.234 -2.128 1.00 0.00 N ATOM 734 CA ALA A 57 -14.611 4.715 -1.254 1.00 0.00 C ATOM 735 C ALA A 57 -15.987 4.907 -1.873 1.00 0.00 C ATOM 736 O ALA A 57 -16.413 6.036 -2.140 1.00 0.00 O ATOM 737 CB ALA A 57 -14.535 5.376 0.114 1.00 0.00 C ATOM 0 H ALA A 57 -13.087 6.051 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.446 3.645 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.319 4.974 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.561 5.176 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.671 6.452 0.006 1.00 0.00 H new ATOM 743 N ASP A 58 -16.673 3.796 -2.104 1.00 0.00 N ATOM 744 CA ASP A 58 -18.008 3.812 -2.697 1.00 0.00 C ATOM 745 C ASP A 58 -19.014 4.438 -1.739 1.00 0.00 C ATOM 746 O ASP A 58 -18.668 4.823 -0.623 1.00 0.00 O ATOM 747 CB ASP A 58 -18.452 2.391 -3.069 1.00 0.00 C ATOM 748 CG ASP A 58 -18.146 1.383 -1.980 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.825 1.400 -0.934 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.216 0.573 -2.163 1.00 0.00 O ATOM 0 H ASP A 58 -16.324 2.862 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.967 4.415 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.523 2.390 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.954 2.088 -3.990 1.00 0.00 H new ATOM 755 N ALA A 59 -20.260 4.533 -2.180 1.00 0.00 N ATOM 756 CA ALA A 59 -21.329 5.124 -1.375 1.00 0.00 C ATOM 757 C ALA A 59 -21.589 4.335 -0.093 1.00 0.00 C ATOM 758 O ALA A 59 -22.183 4.850 0.855 1.00 0.00 O ATOM 759 CB ALA A 59 -22.603 5.220 -2.194 1.00 0.00 C ATOM 0 H ALA A 59 -20.561 4.206 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.004 6.123 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.394 5.661 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.426 5.845 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.905 4.223 -2.515 1.00 0.00 H new ATOM 765 N ASN A 60 -21.132 3.092 -0.060 1.00 0.00 N ATOM 766 CA ASN A 60 -21.313 2.240 1.110 1.00 0.00 C ATOM 767 C ASN A 60 -20.185 2.476 2.104 1.00 0.00 C ATOM 768 O ASN A 60 -20.234 2.004 3.240 1.00 0.00 O ATOM 769 CB ASN A 60 -21.342 0.757 0.721 1.00 0.00 C ATOM 770 CG ASN A 60 -22.368 0.439 -0.345 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.542 0.217 -0.051 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.925 0.384 -1.592 1.00 0.00 N ATOM 0 H ASN A 60 -20.632 2.649 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.269 2.498 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.355 0.462 0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.552 0.160 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.565 0.151 -2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.944 0.575 -1.793 1.00 0.00 H new ATOM 779 N GLY A 61 -19.171 3.211 1.664 1.00 0.00 N ATOM 780 CA GLY A 61 -18.035 3.497 2.512 1.00 0.00 C ATOM 781 C GLY A 61 -17.074 2.332 2.569 1.00 0.00 C ATOM 782 O GLY A 61 -16.504 2.037 3.621 1.00 0.00 O ATOM 0 H GLY A 61 -19.118 3.615 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.515 4.380 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.382 3.732 3.518 1.00 0.00 H new ATOM 786 N SER A 62 -16.901 1.665 1.439 1.00 0.00 N ATOM 787 CA SER A 62 -16.010 0.523 1.356 1.00 0.00 C ATOM 788 C SER A 62 -14.971 0.729 0.257 1.00 0.00 C ATOM 789 O SER A 62 -15.107 1.637 -0.572 1.00 0.00 O ATOM 790 CB SER A 62 -16.821 -0.746 1.092 1.00 0.00 C ATOM 791 OG SER A 62 -18.197 -0.445 0.873 1.00 0.00 O ATOM 0 H SER A 62 -17.369 1.898 0.563 1.00 0.00 H new ATOM 0 HA SER A 62 -15.483 0.418 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.417 -1.264 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.725 -1.424 1.940 1.00 0.00 H new ATOM 0 HG SER A 62 -18.307 -0.048 -0.016 1.00 0.00 H new ATOM 797 N ALA A 63 -13.935 -0.097 0.266 1.00 0.00 N ATOM 798 CA ALA A 63 -12.876 -0.015 -0.729 1.00 0.00 C ATOM 799 C ALA A 63 -12.205 -1.374 -0.902 1.00 0.00 C ATOM 800 O ALA A 63 -11.494 -1.839 -0.012 1.00 0.00 O ATOM 801 CB ALA A 63 -11.850 1.034 -0.326 1.00 0.00 C ATOM 0 H ALA A 63 -13.805 -0.836 0.956 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.317 0.279 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.065 1.083 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.336 2.006 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.413 0.765 0.636 1.00 0.00 H new ATOM 807 N SER A 64 -12.443 -2.006 -2.040 1.00 0.00 N ATOM 808 CA SER A 64 -11.870 -3.312 -2.330 1.00 0.00 C ATOM 809 C SER A 64 -11.000 -3.235 -3.578 1.00 0.00 C ATOM 810 O SER A 64 -11.490 -2.933 -4.667 1.00 0.00 O ATOM 811 CB SER A 64 -12.983 -4.344 -2.535 1.00 0.00 C ATOM 812 OG SER A 64 -12.592 -5.626 -2.070 1.00 0.00 O ATOM 0 H SER A 64 -13.033 -1.633 -2.783 1.00 0.00 H new ATOM 0 HA SER A 64 -11.254 -3.619 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.881 -4.022 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.238 -4.401 -3.593 1.00 0.00 H new ATOM 0 HG SER A 64 -13.323 -6.263 -2.213 1.00 0.00 H new ATOM 818 N THR A 65 -9.714 -3.506 -3.417 1.00 0.00 N ATOM 819 CA THR A 65 -8.780 -3.466 -4.530 1.00 0.00 C ATOM 820 C THR A 65 -7.694 -4.526 -4.347 1.00 0.00 C ATOM 821 O THR A 65 -7.669 -5.234 -3.332 1.00 0.00 O ATOM 822 CB THR A 65 -8.145 -2.061 -4.677 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.520 -1.927 -5.961 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.120 -1.797 -3.579 1.00 0.00 C ATOM 0 H THR A 65 -9.293 -3.757 -2.523 1.00 0.00 H new ATOM 0 HA THR A 65 -9.333 -3.681 -5.444 1.00 0.00 H new ATOM 0 HB THR A 65 -8.945 -1.327 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.411 -0.977 -6.174 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.693 -0.803 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.606 -1.857 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.327 -2.543 -3.635 1.00 0.00 H new ATOM 832 N SER A 66 -6.813 -4.645 -5.329 1.00 0.00 N ATOM 833 CA SER A 66 -5.730 -5.612 -5.277 1.00 0.00 C ATOM 834 C SER A 66 -4.445 -5.013 -5.840 1.00 0.00 C ATOM 835 O SER A 66 -4.475 -4.252 -6.809 1.00 0.00 O ATOM 836 CB SER A 66 -6.118 -6.865 -6.054 1.00 0.00 C ATOM 837 OG SER A 66 -7.294 -7.448 -5.512 1.00 0.00 O ATOM 0 H SER A 66 -6.829 -4.079 -6.177 1.00 0.00 H new ATOM 0 HA SER A 66 -5.551 -5.881 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.281 -6.613 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.301 -7.586 -6.023 1.00 0.00 H new ATOM 0 HG SER A 66 -7.528 -8.250 -6.025 1.00 0.00 H new ATOM 843 N LEU A 67 -3.321 -5.354 -5.222 1.00 0.00 N ATOM 844 CA LEU A 67 -2.025 -4.834 -5.638 1.00 0.00 C ATOM 845 C LEU A 67 -1.080 -5.973 -5.983 1.00 0.00 C ATOM 846 O LEU A 67 -1.165 -7.056 -5.408 1.00 0.00 O ATOM 847 CB LEU A 67 -1.391 -3.985 -4.520 1.00 0.00 C ATOM 848 CG LEU A 67 -2.219 -2.809 -3.991 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.840 -2.018 -5.131 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.283 -3.287 -3.011 1.00 0.00 C ATOM 0 H LEU A 67 -3.281 -5.992 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.187 -4.211 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.162 -4.643 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.442 -3.594 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.545 -2.142 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.421 -1.190 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.052 -1.627 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.493 -2.669 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.856 -2.433 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.951 -3.987 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.804 -3.784 -2.167 1.00 0.00 H new ATOM 862 N THR A 68 -0.188 -5.730 -6.922 1.00 0.00 N ATOM 863 CA THR A 68 0.786 -6.727 -7.318 1.00 0.00 C ATOM 864 C THR A 68 2.123 -6.426 -6.643 1.00 0.00 C ATOM 865 O THR A 68 2.839 -5.505 -7.043 1.00 0.00 O ATOM 866 CB THR A 68 0.964 -6.761 -8.850 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.268 -6.387 -9.488 1.00 0.00 O ATOM 868 CG2 THR A 68 1.381 -8.147 -9.319 1.00 0.00 C ATOM 0 H THR A 68 -0.118 -4.847 -7.427 1.00 0.00 H new ATOM 0 HA THR A 68 0.425 -7.706 -7.003 1.00 0.00 H new ATOM 0 HB THR A 68 1.749 -6.055 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.152 -6.408 -10.461 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.500 -8.144 -10.403 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.327 -8.420 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.616 -8.871 -9.040 1.00 0.00 H new ATOM 876 N VAL A 69 2.441 -7.190 -5.604 1.00 0.00 N ATOM 877 CA VAL A 69 3.675 -6.987 -4.858 1.00 0.00 C ATOM 878 C VAL A 69 4.893 -7.493 -5.638 1.00 0.00 C ATOM 879 O VAL A 69 4.953 -8.654 -6.043 1.00 0.00 O ATOM 880 CB VAL A 69 3.608 -7.663 -3.467 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.301 -9.148 -3.583 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.896 -7.439 -2.694 1.00 0.00 C ATOM 0 H VAL A 69 1.861 -7.955 -5.260 1.00 0.00 H new ATOM 0 HA VAL A 69 3.789 -5.913 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 69 2.791 -7.198 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.262 -9.590 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.340 -9.283 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.082 -9.636 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.825 -7.923 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.732 -7.863 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.057 -6.370 -2.557 1.00 0.00 H new ATOM 892 N ARG A 70 5.845 -6.599 -5.872 1.00 0.00 N ATOM 893 CA ARG A 70 7.065 -6.941 -6.591 1.00 0.00 C ATOM 894 C ARG A 70 8.194 -7.194 -5.599 1.00 0.00 C ATOM 895 O ARG A 70 8.131 -6.738 -4.457 1.00 0.00 O ATOM 896 CB ARG A 70 7.452 -5.804 -7.547 1.00 0.00 C ATOM 897 CG ARG A 70 6.331 -5.359 -8.473 1.00 0.00 C ATOM 898 CD ARG A 70 6.047 -6.387 -9.554 1.00 0.00 C ATOM 899 NE ARG A 70 4.931 -5.986 -10.404 1.00 0.00 N ATOM 900 CZ ARG A 70 4.262 -6.812 -11.208 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.629 -8.087 -11.324 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.224 -6.365 -11.899 1.00 0.00 N ATOM 0 H ARG A 70 5.795 -5.625 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 70 6.891 -7.845 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.784 -4.948 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.301 -6.125 -8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.426 -5.186 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.599 -4.409 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.938 -6.526 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.824 -7.349 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 70 4.643 -5.008 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.428 -8.438 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.112 -8.712 -11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.938 -5.390 -11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.711 -6.996 -12.515 1.00 0.00 H new ATOM 916 N ARG A 71 9.214 -7.927 -6.028 1.00 0.00 N ATOM 917 CA ARG A 71 10.351 -8.223 -5.164 1.00 0.00 C ATOM 918 C ARG A 71 11.160 -6.951 -4.938 1.00 0.00 C ATOM 919 O ARG A 71 11.666 -6.701 -3.847 1.00 0.00 O ATOM 920 CB ARG A 71 11.225 -9.312 -5.788 1.00 0.00 C ATOM 921 CG ARG A 71 12.195 -9.961 -4.815 1.00 0.00 C ATOM 922 CD ARG A 71 11.528 -11.047 -3.984 1.00 0.00 C ATOM 923 NE ARG A 71 11.013 -12.134 -4.820 1.00 0.00 N ATOM 924 CZ ARG A 71 10.868 -13.395 -4.412 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.253 -13.749 -3.197 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.356 -14.306 -5.226 1.00 0.00 N ATOM 0 H ARG A 71 9.278 -8.326 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 71 9.988 -8.590 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.580 -10.083 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.790 -8.881 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.031 -10.390 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.608 -9.200 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.245 -11.448 -3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.711 -10.613 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 71 10.747 -11.911 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.662 -13.057 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.141 -14.714 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.071 -14.044 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.247 -15.269 -4.909 1.00 0.00 H new ATOM 940 N SER A 72 11.282 -6.165 -5.991 1.00 0.00 N ATOM 941 CA SER A 72 11.981 -4.894 -5.942 1.00 0.00 C ATOM 942 C SER A 72 11.082 -3.843 -6.578 1.00 0.00 C ATOM 943 O SER A 72 10.421 -4.125 -7.582 1.00 0.00 O ATOM 944 CB SER A 72 13.320 -4.985 -6.674 1.00 0.00 C ATOM 945 OG SER A 72 14.023 -6.170 -6.322 1.00 0.00 O ATOM 0 H SER A 72 10.898 -6.391 -6.908 1.00 0.00 H new ATOM 0 HA SER A 72 12.199 -4.622 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.150 -4.967 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.929 -4.114 -6.433 1.00 0.00 H new ATOM 0 HG SER A 72 14.642 -5.977 -5.587 1.00 0.00 H new ATOM 951 N PHE A 73 11.028 -2.650 -5.999 1.00 0.00 N ATOM 952 CA PHE A 73 10.162 -1.602 -6.529 1.00 0.00 C ATOM 953 C PHE A 73 10.735 -0.211 -6.286 1.00 0.00 C ATOM 954 O PHE A 73 11.711 -0.048 -5.556 1.00 0.00 O ATOM 955 CB PHE A 73 8.774 -1.703 -5.888 1.00 0.00 C ATOM 956 CG PHE A 73 8.750 -1.355 -4.420 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.120 -2.288 -3.464 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.357 -0.094 -3.999 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.099 -1.970 -2.120 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.333 0.230 -2.657 1.00 0.00 C ATOM 961 CZ PHE A 73 8.706 -0.709 -1.716 1.00 0.00 C ATOM 0 H PHE A 73 11.565 -2.385 -5.173 1.00 0.00 H new ATOM 0 HA PHE A 73 10.089 -1.749 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.091 -1.041 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.399 -2.718 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.428 -3.276 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.066 0.645 -4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.390 -2.707 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.023 1.216 -2.344 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.690 -0.458 -0.666 1.00 0.00 H new ATOM 971 N GLU A 74 10.116 0.785 -6.901 1.00 0.00 N ATOM 972 CA GLU A 74 10.537 2.164 -6.735 1.00 0.00 C ATOM 973 C GLU A 74 9.663 2.829 -5.676 1.00 0.00 C ATOM 974 O GLU A 74 8.442 2.856 -5.809 1.00 0.00 O ATOM 975 CB GLU A 74 10.441 2.927 -8.062 1.00 0.00 C ATOM 976 CG GLU A 74 11.422 2.447 -9.126 1.00 0.00 C ATOM 977 CD GLU A 74 10.948 1.203 -9.854 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.783 1.177 -10.308 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.743 0.245 -9.982 1.00 0.00 O ATOM 0 H GLU A 74 9.317 0.661 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 74 11.578 2.183 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.427 2.835 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.615 3.986 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.583 3.246 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.385 2.242 -8.658 1.00 0.00 H new ATOM 986 N GLY A 75 10.287 3.347 -4.628 1.00 0.00 N ATOM 987 CA GLY A 75 9.543 3.976 -3.555 1.00 0.00 C ATOM 988 C GLY A 75 9.025 5.351 -3.923 1.00 0.00 C ATOM 989 O GLY A 75 9.779 6.198 -4.412 1.00 0.00 O ATOM 0 H GLY A 75 11.299 3.343 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.703 3.338 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.182 4.058 -2.676 1.00 0.00 H new ATOM 993 N PHE A 76 7.738 5.578 -3.678 1.00 0.00 N ATOM 994 CA PHE A 76 7.108 6.850 -3.978 1.00 0.00 C ATOM 995 C PHE A 76 6.528 7.443 -2.707 1.00 0.00 C ATOM 996 O PHE A 76 5.766 6.780 -2.002 1.00 0.00 O ATOM 997 CB PHE A 76 5.994 6.660 -5.008 1.00 0.00 C ATOM 998 CG PHE A 76 6.098 7.571 -6.196 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.206 7.523 -7.021 1.00 0.00 C ATOM 1000 CD2 PHE A 76 5.080 8.461 -6.498 1.00 0.00 C ATOM 1001 CE1 PHE A 76 7.303 8.350 -8.122 1.00 0.00 C ATOM 1002 CE2 PHE A 76 5.169 9.289 -7.600 1.00 0.00 C ATOM 1003 CZ PHE A 76 6.283 9.231 -8.415 1.00 0.00 C ATOM 0 H PHE A 76 7.110 4.887 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 76 7.858 7.526 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.006 5.626 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.032 6.823 -4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.005 6.830 -6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.207 8.508 -5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.178 8.307 -8.754 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.370 9.980 -7.824 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.355 9.874 -9.280 1.00 0.00 H new ATOM 1013 N LEU A 77 6.911 8.673 -2.399 1.00 0.00 N ATOM 1014 CA LEU A 77 6.417 9.345 -1.209 1.00 0.00 C ATOM 1015 C LEU A 77 5.025 9.918 -1.453 1.00 0.00 C ATOM 1016 O LEU A 77 4.540 9.926 -2.586 1.00 0.00 O ATOM 1017 CB LEU A 77 7.379 10.452 -0.773 1.00 0.00 C ATOM 1018 CG LEU A 77 8.781 9.982 -0.382 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.598 11.145 0.151 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.712 8.866 0.651 1.00 0.00 C ATOM 0 H LEU A 77 7.562 9.225 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 77 6.352 8.609 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.469 11.174 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.941 10.979 0.075 1.00 0.00 H new ATOM 0 HG LEU A 77 9.269 9.590 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.593 10.795 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.682 11.913 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.106 11.563 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.722 8.549 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.202 9.228 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.162 8.021 0.237 1.00 0.00 H new ATOM 1032 N PHE A 78 4.405 10.419 -0.392 1.00 0.00 N ATOM 1033 CA PHE A 78 3.061 10.978 -0.469 1.00 0.00 C ATOM 1034 C PHE A 78 3.030 12.232 -1.342 1.00 0.00 C ATOM 1035 O PHE A 78 2.036 12.504 -2.017 1.00 0.00 O ATOM 1036 CB PHE A 78 2.555 11.298 0.943 1.00 0.00 C ATOM 1037 CG PHE A 78 1.061 11.423 1.043 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.261 10.292 1.096 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.455 12.669 1.085 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.112 10.404 1.190 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.918 12.785 1.179 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.704 11.650 1.231 1.00 0.00 C ATOM 0 H PHE A 78 4.816 10.449 0.541 1.00 0.00 H new ATOM 0 HA PHE A 78 2.406 10.238 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.890 10.516 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.011 12.230 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.716 9.313 1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.064 13.560 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.724 9.515 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.377 13.762 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.778 11.738 1.303 1.00 0.00 H new ATOM 1052 N ASP A 79 4.122 12.984 -1.334 1.00 0.00 N ATOM 1053 CA ASP A 79 4.216 14.206 -2.122 1.00 0.00 C ATOM 1054 C ASP A 79 4.543 13.896 -3.582 1.00 0.00 C ATOM 1055 O ASP A 79 4.497 14.781 -4.437 1.00 0.00 O ATOM 1056 CB ASP A 79 5.280 15.140 -1.537 1.00 0.00 C ATOM 1057 CG ASP A 79 6.679 14.805 -2.015 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.259 13.817 -1.526 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.212 15.533 -2.880 1.00 0.00 O ATOM 0 H ASP A 79 4.957 12.769 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 79 3.246 14.702 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.044 16.169 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.249 15.083 -0.449 1.00 0.00 H new ATOM 1064 N GLY A 80 4.874 12.643 -3.862 1.00 0.00 N ATOM 1065 CA GLY A 80 5.205 12.249 -5.217 1.00 0.00 C ATOM 1066 C GLY A 80 6.699 12.111 -5.435 1.00 0.00 C ATOM 1067 O GLY A 80 7.142 11.774 -6.535 1.00 0.00 O ATOM 0 H GLY A 80 4.919 11.891 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.719 11.300 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.806 12.986 -5.914 1.00 0.00 H new ATOM 1071 N THR A 81 7.487 12.376 -4.399 1.00 0.00 N ATOM 1072 CA THR A 81 8.934 12.265 -4.505 1.00 0.00 C ATOM 1073 C THR A 81 9.375 10.804 -4.516 1.00 0.00 C ATOM 1074 O THR A 81 8.939 10.003 -3.689 1.00 0.00 O ATOM 1075 CB THR A 81 9.629 13.016 -3.349 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.490 14.427 -3.541 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.104 12.661 -3.258 1.00 0.00 C ATOM 0 H THR A 81 7.149 12.667 -3.482 1.00 0.00 H new ATOM 0 HA THR A 81 9.230 12.722 -5.449 1.00 0.00 H new ATOM 0 HB THR A 81 9.150 12.715 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.539 14.657 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.560 13.209 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.210 11.590 -3.085 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.601 12.929 -4.190 1.00 0.00 H new ATOM 1085 N ARG A 82 10.218 10.459 -5.479 1.00 0.00 N ATOM 1086 CA ARG A 82 10.736 9.105 -5.584 1.00 0.00 C ATOM 1087 C ARG A 82 12.068 9.028 -4.852 1.00 0.00 C ATOM 1088 O ARG A 82 13.101 9.452 -5.367 1.00 0.00 O ATOM 1089 CB ARG A 82 10.887 8.667 -7.053 1.00 0.00 C ATOM 1090 CG ARG A 82 11.253 9.791 -8.012 1.00 0.00 C ATOM 1091 CD ARG A 82 10.019 10.524 -8.524 1.00 0.00 C ATOM 1092 NE ARG A 82 10.373 11.683 -9.336 1.00 0.00 N ATOM 1093 CZ ARG A 82 9.592 12.756 -9.493 1.00 0.00 C ATOM 1094 NH1 ARG A 82 8.423 12.834 -8.864 1.00 0.00 N ATOM 1095 NH2 ARG A 82 9.987 13.751 -10.277 1.00 0.00 N ATOM 0 H ARG A 82 10.557 11.099 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 82 10.026 8.418 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.652 7.893 -7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.951 8.216 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.912 10.498 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.809 9.382 -8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.409 9.840 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.411 10.845 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 82 11.274 11.674 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.118 12.072 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.831 13.655 -8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.885 13.696 -10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.393 14.571 -10.399 1.00 0.00 H new ATOM 1109 N TRP A 83 12.024 8.509 -3.636 1.00 0.00 N ATOM 1110 CA TRP A 83 13.212 8.403 -2.798 1.00 0.00 C ATOM 1111 C TRP A 83 14.262 7.471 -3.404 1.00 0.00 C ATOM 1112 O TRP A 83 15.458 7.779 -3.393 1.00 0.00 O ATOM 1113 CB TRP A 83 12.819 7.928 -1.400 1.00 0.00 C ATOM 1114 CG TRP A 83 13.798 8.323 -0.338 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.800 7.556 0.179 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.873 9.586 0.331 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.486 8.259 1.137 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.938 9.508 1.251 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.140 10.771 0.248 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.285 10.572 2.079 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.488 11.825 1.067 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.551 11.721 1.974 1.00 0.00 C ATOM 0 H TRP A 83 11.173 8.151 -3.203 1.00 0.00 H new ATOM 0 HA TRP A 83 13.662 9.393 -2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.839 8.334 -1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.722 6.842 -1.408 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.021 6.543 -0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.277 7.908 1.677 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.316 10.861 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.104 10.493 2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.930 12.748 1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.795 12.565 2.602 1.00 0.00 H new ATOM 1133 N GLY A 84 13.823 6.337 -3.932 1.00 0.00 N ATOM 1134 CA GLY A 84 14.757 5.396 -4.522 1.00 0.00 C ATOM 1135 C GLY A 84 14.165 4.013 -4.706 1.00 0.00 C ATOM 1136 O GLY A 84 12.975 3.801 -4.472 1.00 0.00 O ATOM 0 H GLY A 84 12.844 6.052 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.086 5.776 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.642 5.326 -3.890 1.00 0.00 H new ATOM 1140 N THR A 85 14.999 3.071 -5.119 1.00 0.00 N ATOM 1141 CA THR A 85 14.569 1.703 -5.344 1.00 0.00 C ATOM 1142 C THR A 85 14.695 0.859 -4.068 1.00 0.00 C ATOM 1143 O THR A 85 15.762 0.793 -3.448 1.00 0.00 O ATOM 1144 CB THR A 85 15.393 1.061 -6.476 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.587 2.013 -7.533 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.698 -0.175 -7.026 1.00 0.00 C ATOM 0 H THR A 85 15.988 3.234 -5.306 1.00 0.00 H new ATOM 0 HA THR A 85 13.518 1.731 -5.633 1.00 0.00 H new ATOM 0 HB THR A 85 16.358 0.760 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.113 1.602 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.302 -0.607 -7.824 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.572 -0.907 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.721 0.103 -7.421 1.00 0.00 H new ATOM 1154 N VAL A 86 13.600 0.223 -3.681 1.00 0.00 N ATOM 1155 CA VAL A 86 13.573 -0.622 -2.496 1.00 0.00 C ATOM 1156 C VAL A 86 13.626 -2.088 -2.909 1.00 0.00 C ATOM 1157 O VAL A 86 12.963 -2.493 -3.865 1.00 0.00 O ATOM 1158 CB VAL A 86 12.307 -0.371 -1.644 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.326 -1.217 -0.378 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.180 1.103 -1.300 1.00 0.00 C ATOM 0 H VAL A 86 12.710 0.277 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 86 14.443 -0.373 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 86 11.438 -0.665 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.425 -1.022 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.363 -2.273 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.204 -0.963 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.284 1.261 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.056 1.421 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.110 1.686 -2.218 1.00 0.00 H new ATOM 1170 N ASP A 87 14.429 -2.873 -2.210 1.00 0.00 N ATOM 1171 CA ASP A 87 14.563 -4.286 -2.526 1.00 0.00 C ATOM 1172 C ASP A 87 14.089 -5.154 -1.369 1.00 0.00 C ATOM 1173 O ASP A 87 14.592 -5.045 -0.248 1.00 0.00 O ATOM 1174 CB ASP A 87 16.015 -4.619 -2.856 1.00 0.00 C ATOM 1175 CG ASP A 87 16.203 -6.083 -3.194 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.979 -6.461 -4.363 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.568 -6.867 -2.294 1.00 0.00 O ATOM 0 H ASP A 87 14.996 -2.558 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 87 13.938 -4.495 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.344 -4.008 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.648 -4.360 -2.007 1.00 0.00 H new ATOM 1182 N CYS A 88 13.127 -6.020 -1.649 1.00 0.00 N ATOM 1183 CA CYS A 88 12.587 -6.914 -0.638 1.00 0.00 C ATOM 1184 C CYS A 88 13.096 -8.337 -0.855 1.00 0.00 C ATOM 1185 O CYS A 88 12.513 -9.302 -0.361 1.00 0.00 O ATOM 1186 CB CYS A 88 11.053 -6.885 -0.667 1.00 0.00 C ATOM 1187 SG CYS A 88 10.324 -5.232 -0.391 1.00 0.00 S ATOM 0 H CYS A 88 12.704 -6.122 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 88 12.924 -6.573 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.713 -7.262 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.674 -7.567 0.094 1.00 0.00 H new ATOM 1192 N THR A 89 14.191 -8.464 -1.598 1.00 0.00 N ATOM 1193 CA THR A 89 14.786 -9.767 -1.857 1.00 0.00 C ATOM 1194 C THR A 89 15.699 -10.145 -0.702 1.00 0.00 C ATOM 1195 O THR A 89 15.687 -11.278 -0.225 1.00 0.00 O ATOM 1196 CB THR A 89 15.600 -9.771 -3.167 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.989 -8.894 -4.120 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.689 -11.178 -3.749 1.00 0.00 C ATOM 0 H THR A 89 14.682 -7.681 -2.030 1.00 0.00 H new ATOM 0 HA THR A 89 13.977 -10.491 -1.956 1.00 0.00 H new ATOM 0 HB THR A 89 16.609 -9.425 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.638 -8.217 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.268 -11.154 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.177 -11.838 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.686 -11.549 -3.959 1.00 0.00 H new ATOM 1206 N THR A 90 16.479 -9.172 -0.252 1.00 0.00 N ATOM 1207 CA THR A 90 17.401 -9.371 0.852 1.00 0.00 C ATOM 1208 C THR A 90 16.847 -8.722 2.123 1.00 0.00 C ATOM 1209 O THR A 90 17.513 -8.678 3.161 1.00 0.00 O ATOM 1210 CB THR A 90 18.797 -8.786 0.512 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.782 -9.241 1.449 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.768 -7.265 0.502 1.00 0.00 C ATOM 0 H THR A 90 16.489 -8.229 -0.641 1.00 0.00 H new ATOM 0 HA THR A 90 17.512 -10.442 1.022 1.00 0.00 H new ATOM 0 HB THR A 90 19.064 -9.137 -0.485 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.411 -9.209 2.355 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.760 -6.884 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.055 -6.920 -0.246 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.468 -6.900 1.484 1.00 0.00 H new ATOM 1220 N ALA A 91 15.614 -8.232 2.037 1.00 0.00 N ATOM 1221 CA ALA A 91 14.972 -7.575 3.165 1.00 0.00 C ATOM 1222 C ALA A 91 13.495 -7.936 3.241 1.00 0.00 C ATOM 1223 O ALA A 91 13.003 -8.746 2.454 1.00 0.00 O ATOM 1224 CB ALA A 91 15.153 -6.066 3.065 1.00 0.00 C ATOM 0 H ALA A 91 15.040 -8.279 1.195 1.00 0.00 H new ATOM 0 HA ALA A 91 15.447 -7.925 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.669 -5.584 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.216 -5.826 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.704 -5.706 2.139 1.00 0.00 H new ATOM 1230 N ALA A 92 12.792 -7.331 4.187 1.00 0.00 N ATOM 1231 CA ALA A 92 11.373 -7.584 4.366 1.00 0.00 C ATOM 1232 C ALA A 92 10.548 -6.623 3.519 1.00 0.00 C ATOM 1233 O ALA A 92 11.052 -5.594 3.062 1.00 0.00 O ATOM 1234 CB ALA A 92 10.990 -7.463 5.835 1.00 0.00 C ATOM 0 H ALA A 92 13.185 -6.658 4.845 1.00 0.00 H new ATOM 0 HA ALA A 92 11.161 -8.602 4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.923 -7.656 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.555 -8.189 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.217 -6.457 6.189 1.00 0.00 H new ATOM 1240 N CYS A 93 9.286 -6.961 3.312 1.00 0.00 N ATOM 1241 CA CYS A 93 8.384 -6.136 2.521 1.00 0.00 C ATOM 1242 C CYS A 93 7.046 -5.995 3.237 1.00 0.00 C ATOM 1243 O CYS A 93 6.731 -6.775 4.136 1.00 0.00 O ATOM 1244 CB CYS A 93 8.182 -6.758 1.139 1.00 0.00 C ATOM 1245 SG CYS A 93 8.326 -5.579 -0.246 1.00 0.00 S ATOM 0 H CYS A 93 8.859 -7.809 3.684 1.00 0.00 H new ATOM 0 HA CYS A 93 8.823 -5.146 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.915 -7.553 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.197 -7.223 1.104 1.00 0.00 H new ATOM 1250 N GLN A 94 6.253 -5.008 2.844 1.00 0.00 N ATOM 1251 CA GLN A 94 4.955 -4.786 3.466 1.00 0.00 C ATOM 1252 C GLN A 94 4.015 -4.052 2.521 1.00 0.00 C ATOM 1253 O GLN A 94 4.438 -3.541 1.485 1.00 0.00 O ATOM 1254 CB GLN A 94 5.107 -4.007 4.776 1.00 0.00 C ATOM 1255 CG GLN A 94 5.906 -2.724 4.653 1.00 0.00 C ATOM 1256 CD GLN A 94 7.162 -2.754 5.499 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.263 -3.015 5.003 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.003 -2.508 6.786 1.00 0.00 N ATOM 0 H GLN A 94 6.485 -4.350 2.100 1.00 0.00 H new ATOM 0 HA GLN A 94 4.522 -5.761 3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.115 -3.768 5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.587 -4.650 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.176 -2.564 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.286 -1.880 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.075 -2.297 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.808 -2.529 7.412 1.00 0.00 H new ATOM 1267 N VAL A 95 2.741 -4.013 2.884 1.00 0.00 N ATOM 1268 CA VAL A 95 1.727 -3.347 2.079 1.00 0.00 C ATOM 1269 C VAL A 95 0.897 -2.396 2.943 1.00 0.00 C ATOM 1270 O VAL A 95 0.603 -2.695 4.105 1.00 0.00 O ATOM 1271 CB VAL A 95 0.806 -4.382 1.384 1.00 0.00 C ATOM 1272 CG1 VAL A 95 0.077 -5.247 2.405 1.00 0.00 C ATOM 1273 CG2 VAL A 95 -0.186 -3.696 0.452 1.00 0.00 C ATOM 0 H VAL A 95 2.383 -4.439 3.739 1.00 0.00 H new ATOM 0 HA VAL A 95 2.234 -2.767 1.308 1.00 0.00 H new ATOM 0 HB VAL A 95 1.440 -5.034 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.561 -5.963 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.805 -5.784 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.535 -4.614 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.819 -4.446 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.807 -3.007 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.357 -3.143 -0.315 1.00 0.00 H new ATOM 1283 N GLY A 96 0.545 -1.241 2.388 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.245 -0.281 3.130 1.00 0.00 C ATOM 1285 C GLY A 96 -1.072 0.607 2.222 1.00 0.00 C ATOM 1286 O GLY A 96 -0.949 0.537 0.997 1.00 0.00 O ATOM 0 H GLY A 96 0.793 -0.955 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.906 -0.811 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.416 0.338 3.737 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.911 1.437 2.821 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.761 2.348 2.070 1.00 0.00 C ATOM 1292 C LEU A 97 -2.873 3.691 2.777 1.00 0.00 C ATOM 1293 O LEU A 97 -2.926 3.757 4.004 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.161 1.757 1.871 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.894 1.339 3.148 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.385 1.614 3.024 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.651 -0.136 3.442 1.00 0.00 C ATOM 0 H LEU A 97 -2.022 1.499 3.833 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.299 2.496 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.773 2.490 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.078 0.887 1.220 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.502 1.929 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.889 1.310 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.546 2.679 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.790 1.050 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.179 -0.417 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.017 -0.738 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.583 -0.310 3.573 1.00 0.00 H new ATOM 1309 N SER A 98 -2.893 4.758 2.000 1.00 0.00 N ATOM 1310 CA SER A 98 -3.011 6.098 2.546 1.00 0.00 C ATOM 1311 C SER A 98 -4.173 6.839 1.898 1.00 0.00 C ATOM 1312 O SER A 98 -4.351 6.789 0.679 1.00 0.00 O ATOM 1313 CB SER A 98 -1.709 6.870 2.334 1.00 0.00 C ATOM 1314 OG SER A 98 -0.627 6.216 2.971 1.00 0.00 O ATOM 0 H SER A 98 -2.829 4.722 0.983 1.00 0.00 H new ATOM 0 HA SER A 98 -3.205 6.020 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.506 6.963 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.812 7.881 2.729 1.00 0.00 H new ATOM 0 HG SER A 98 0.197 6.725 2.822 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.972 7.508 2.716 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.110 8.265 2.214 1.00 0.00 C ATOM 1322 C ASP A 99 -5.644 9.608 1.655 1.00 0.00 C ATOM 1323 O ASP A 99 -4.448 9.822 1.457 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.152 8.478 3.321 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.808 9.630 4.242 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.753 9.577 4.896 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.595 10.596 4.307 1.00 0.00 O ATOM 0 H ASP A 99 -4.854 7.542 3.729 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.577 7.694 1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.125 8.662 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.242 7.564 3.909 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.588 10.504 1.401 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.275 11.823 0.865 1.00 0.00 C ATOM 1334 C ALA A 100 -5.417 12.634 1.832 1.00 0.00 C ATOM 1335 O ALA A 100 -4.608 13.462 1.413 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.559 12.570 0.562 1.00 0.00 C ATOM 0 H ALA A 100 -7.582 10.341 1.558 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.703 11.686 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.321 13.555 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.141 12.011 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.140 12.681 1.478 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.604 12.399 3.122 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.850 13.109 4.146 1.00 0.00 C ATOM 1344 C ALA A 101 -3.514 12.422 4.403 1.00 0.00 C ATOM 1345 O ALA A 101 -2.457 13.059 4.371 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.655 13.202 5.438 1.00 0.00 C ATOM 0 H ALA A 101 -6.273 11.720 3.486 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.655 14.119 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.075 13.736 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.585 13.738 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.881 12.199 5.799 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.566 11.122 4.653 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.359 10.366 4.912 1.00 0.00 C ATOM 1354 C GLY A 102 -2.476 9.508 6.154 1.00 0.00 C ATOM 1355 O GLY A 102 -1.517 9.361 6.910 1.00 0.00 O ATOM 0 H GLY A 102 -4.427 10.576 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.139 9.731 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.520 11.052 5.025 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.663 8.962 6.377 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.918 8.110 7.529 1.00 0.00 C ATOM 1361 C ASN A 103 -4.722 6.891 7.101 1.00 0.00 C ATOM 1362 O ASN A 103 -4.991 6.702 5.911 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.677 8.883 8.616 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.816 9.922 9.314 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.134 9.626 10.296 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.850 11.152 8.820 1.00 0.00 N ATOM 0 H ASN A 103 -4.471 9.096 5.769 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.962 7.785 7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.540 9.375 8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.059 8.179 9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.299 11.892 9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.427 11.358 8.005 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.111 6.071 8.063 1.00 0.00 N ATOM 1374 CA GLY A 104 -5.880 4.887 7.758 1.00 0.00 C ATOM 1375 C GLY A 104 -5.453 3.708 8.605 1.00 0.00 C ATOM 1376 O GLY A 104 -4.757 3.889 9.606 1.00 0.00 O ATOM 0 H GLY A 104 -4.907 6.206 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.939 5.088 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.763 4.639 6.703 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.864 2.487 8.234 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.503 1.266 8.967 1.00 0.00 C ATOM 1382 C PRO A 105 -3.992 1.042 9.005 1.00 0.00 C ATOM 1383 O PRO A 105 -3.258 1.553 8.158 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.187 0.145 8.173 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.485 0.738 6.837 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.729 2.198 7.082 1.00 0.00 C ATOM 0 HA PRO A 105 -5.816 1.314 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.537 -0.726 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.099 -0.188 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.652 0.591 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.358 0.266 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.463 2.803 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.777 2.401 7.303 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.534 0.278 9.986 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.113 -0.003 10.125 1.00 0.00 C ATOM 1396 C GLU A 106 -1.607 -0.859 8.973 1.00 0.00 C ATOM 1397 O GLU A 106 -2.309 -1.765 8.512 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.831 -0.719 11.440 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.179 0.163 12.486 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.396 -0.642 13.498 1.00 0.00 C ATOM 1401 OE1 GLU A 106 0.587 -1.301 13.099 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.766 -0.634 14.689 1.00 0.00 O ATOM 0 H GLU A 106 -4.124 -0.157 10.695 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.590 0.953 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.767 -1.109 11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.185 -1.576 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.514 0.875 11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.945 0.744 12.999 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.397 -0.564 8.512 1.00 0.00 N ATOM 1410 CA GLY A 107 0.193 -1.327 7.430 1.00 0.00 C ATOM 1411 C GLY A 107 0.494 -2.754 7.842 1.00 0.00 C ATOM 1412 O GLY A 107 0.778 -3.021 9.014 1.00 0.00 O ATOM 0 H GLY A 107 0.187 0.192 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.485 -1.331 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.113 -0.842 7.103 1.00 0.00 H new ATOM 1416 N VAL A 108 0.437 -3.670 6.887 1.00 0.00 N ATOM 1417 CA VAL A 108 0.687 -5.077 7.163 1.00 0.00 C ATOM 1418 C VAL A 108 1.949 -5.558 6.458 1.00 0.00 C ATOM 1419 O VAL A 108 2.088 -5.412 5.243 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.510 -5.957 6.732 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.256 -7.419 7.063 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.792 -5.482 7.397 1.00 0.00 C ATOM 0 H VAL A 108 0.219 -3.464 5.912 1.00 0.00 H new ATOM 0 HA VAL A 108 0.823 -5.172 8.240 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.623 -5.864 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.112 -8.017 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.636 -7.761 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.110 -7.529 8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.622 -6.114 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.683 -5.541 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.991 -4.450 7.108 1.00 0.00 H new ATOM 1432 N ALA A 109 2.872 -6.120 7.228 1.00 0.00 N ATOM 1433 CA ALA A 109 4.119 -6.629 6.683 1.00 0.00 C ATOM 1434 C ALA A 109 3.942 -8.048 6.166 1.00 0.00 C ATOM 1435 O ALA A 109 3.124 -8.809 6.689 1.00 0.00 O ATOM 1436 CB ALA A 109 5.226 -6.579 7.725 1.00 0.00 C ATOM 0 H ALA A 109 2.777 -6.234 8.237 1.00 0.00 H new ATOM 0 HA ALA A 109 4.406 -5.991 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.149 -6.965 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.378 -5.548 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.945 -7.188 8.584 1.00 0.00 H new ATOM 1442 N ILE A 110 4.712 -8.397 5.144 1.00 0.00 N ATOM 1443 CA ILE A 110 4.648 -9.718 4.540 1.00 0.00 C ATOM 1444 C ILE A 110 6.055 -10.240 4.273 1.00 0.00 C ATOM 1445 O ILE A 110 7.042 -9.545 4.513 1.00 0.00 O ATOM 1446 CB ILE A 110 3.850 -9.708 3.210 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.487 -8.742 2.205 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.399 -9.328 3.462 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.757 -8.660 0.880 1.00 0.00 C ATOM 0 H ILE A 110 5.395 -7.774 4.713 1.00 0.00 H new ATOM 0 HA ILE A 110 4.132 -10.371 5.244 1.00 0.00 H new ATOM 0 HB ILE A 110 3.877 -10.712 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.527 -7.747 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.516 -9.051 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.854 -9.326 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.946 -10.051 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.355 -8.334 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.270 -7.956 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.740 -9.644 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.735 -8.320 1.048 1.00 0.00 H new ATOM 1461 N SER A 111 6.145 -11.463 3.785 1.00 0.00 N ATOM 1462 CA SER A 111 7.428 -12.072 3.479 1.00 0.00 C ATOM 1463 C SER A 111 7.257 -13.115 2.387 1.00 0.00 C ATOM 1464 O SER A 111 6.206 -13.746 2.281 1.00 0.00 O ATOM 1465 CB SER A 111 8.038 -12.709 4.732 1.00 0.00 C ATOM 1466 OG SER A 111 8.282 -11.730 5.733 1.00 0.00 O ATOM 0 H SER A 111 5.340 -12.058 3.591 1.00 0.00 H new ATOM 0 HA SER A 111 8.107 -11.296 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.364 -13.472 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.971 -13.210 4.473 1.00 0.00 H new ATOM 0 HG SER A 111 8.670 -12.160 6.524 1.00 0.00 H new ATOM 1472 N PHE A 112 8.280 -13.270 1.565 1.00 0.00 N ATOM 1473 CA PHE A 112 8.246 -14.234 0.479 1.00 0.00 C ATOM 1474 C PHE A 112 8.893 -15.540 0.922 1.00 0.00 C ATOM 1475 O PHE A 112 9.701 -15.556 1.855 1.00 0.00 O ATOM 1476 CB PHE A 112 8.962 -13.680 -0.756 1.00 0.00 C ATOM 1477 CG PHE A 112 8.526 -12.295 -1.148 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.296 -12.083 -1.752 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.349 -11.206 -0.914 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.896 -10.810 -2.111 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.953 -9.931 -1.270 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.726 -9.733 -1.869 1.00 0.00 C ATOM 0 H PHE A 112 9.148 -12.738 1.629 1.00 0.00 H new ATOM 0 HA PHE A 112 7.206 -14.425 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.036 -13.672 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.791 -14.354 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.644 -12.922 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.312 -11.355 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.935 -10.657 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.603 -9.090 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.415 -8.737 -2.148 1.00 0.00 H new ATOM 1492 N ASN A 113 8.545 -16.629 0.252 1.00 0.00 N ATOM 1493 CA ASN A 113 9.095 -17.939 0.586 1.00 0.00 C ATOM 1494 C ASN A 113 10.494 -18.099 0.010 1.00 0.00 C ATOM 1495 O ASN A 113 11.214 -19.018 0.446 1.00 0.00 O ATOM 1496 CB ASN A 113 8.199 -19.071 0.075 1.00 0.00 C ATOM 1497 CG ASN A 113 8.087 -19.095 -1.439 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.946 -19.641 -2.133 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.012 -18.524 -1.957 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.874 -17.301 -0.869 1.00 0.00 O ATOM 0 H ASN A 113 7.885 -16.634 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 113 9.144 -18.000 1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.595 -20.026 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.204 -18.964 0.507 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.871 -18.525 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.325 -18.083 -1.346 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.724 6.189 4.402 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.386 7.330 3.963 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.660 7.553 2.604 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.227 6.529 1.610 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.536 5.356 2.143 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.314 5.228 3.481 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.634 4.131 4.256 1.00 20.00 C HETATM 1515 C2' FLN A 114 3.341 3.389 5.207 1.00 20.00 C HETATM 1516 C3' FLN A 114 2.691 2.377 5.919 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.340 2.058 5.724 1.00 20.00 C HETATM 1518 C5' FLN A 114 0.671 2.830 4.763 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.292 3.842 4.041 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.448 6.677 0.401 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.340 8.737 2.224 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.725 9.666 3.203 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.430 9.408 4.559 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.764 8.244 4.943 1.00 20.00 C HETATM 0 H8 FLN A 114 4.543 8.053 5.993 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.728 10.131 5.319 1.00 20.00 H new HETATM 0 H6' FLN A 114 0.725 4.411 3.304 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.248 10.579 2.919 1.00 20.00 H new HETATM 0 H5' FLN A 114 -0.383 2.627 4.574 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.563 8.926 1.174 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.843 1.264 6.281 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.259 1.812 6.658 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.195 4.576 1.463 1.00 20.00 H new HETATM 0 H2' FLN A 114 4.394 3.599 5.392 1.00 20.00 H new