USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 0.0424 USER MOD Single : A 6 SER OG : rot 25:sc= 1.14 USER MOD Single : A 28 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.5!) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0865) USER MOD Single : A 36 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.95) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 171:sc= 1.56 USER MOD Single : A 42 GLN : amide:sc= -0.137 K(o=-0.14,f=-3!) USER MOD Single : A 47 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.16) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.818 X(o=-0.82,f=-1) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 72 CYS SG : rot 19:sc= -2.15! USER MOD Single : A 76 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.128) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 170:sc= -0.839 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.616 -2.343 -10.946 1.00 0.00 N ATOM 2 CA GLY A 1 -24.396 -2.208 -9.685 1.00 0.00 C ATOM 3 C GLY A 1 -23.519 -2.278 -8.451 1.00 0.00 C ATOM 4 O GLY A 1 -23.549 -3.265 -7.716 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.261 -2.289 -11.760 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.917 -1.575 -11.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.125 -3.260 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.932 -1.259 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.146 -2.997 -9.639 1.00 0.00 H new ATOM 10 N SER A 2 -22.736 -1.228 -8.224 1.00 0.00 N ATOM 11 CA SER A 2 -21.847 -1.173 -7.070 1.00 0.00 C ATOM 12 C SER A 2 -20.837 -2.317 -7.106 1.00 0.00 C ATOM 13 O SER A 2 -20.412 -2.815 -6.065 1.00 0.00 O ATOM 14 CB SER A 2 -22.655 -1.230 -5.772 1.00 0.00 C ATOM 15 OG SER A 2 -23.506 -0.104 -5.651 1.00 0.00 O ATOM 0 H SER A 2 -22.699 -0.404 -8.824 1.00 0.00 H new ATOM 0 HA SER A 2 -21.302 -0.230 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.250 -2.143 -5.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.977 -1.271 -4.919 1.00 0.00 H new ATOM 0 HG SER A 2 -24.013 -0.165 -4.814 1.00 0.00 H new ATOM 21 N SER A 3 -20.461 -2.728 -8.313 1.00 0.00 N ATOM 22 CA SER A 3 -19.501 -3.814 -8.484 1.00 0.00 C ATOM 23 C SER A 3 -18.165 -3.283 -8.996 1.00 0.00 C ATOM 24 O SER A 3 -17.112 -3.583 -8.435 1.00 0.00 O ATOM 25 CB SER A 3 -20.052 -4.861 -9.455 1.00 0.00 C ATOM 26 OG SER A 3 -21.180 -5.520 -8.907 1.00 0.00 O ATOM 0 H SER A 3 -20.805 -2.327 -9.185 1.00 0.00 H new ATOM 0 HA SER A 3 -19.339 -4.279 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.328 -4.381 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.277 -5.591 -9.686 1.00 0.00 H new ATOM 0 HG SER A 3 -21.515 -6.183 -9.547 1.00 0.00 H new ATOM 32 N GLY A 4 -18.217 -2.494 -10.064 1.00 0.00 N ATOM 33 CA GLY A 4 -17.005 -1.935 -10.633 1.00 0.00 C ATOM 34 C GLY A 4 -16.293 -2.907 -11.553 1.00 0.00 C ATOM 35 O GLY A 4 -16.529 -2.914 -12.762 1.00 0.00 O ATOM 0 H GLY A 4 -19.077 -2.232 -10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.252 -1.030 -11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.331 -1.642 -9.828 1.00 0.00 H new ATOM 39 N SER A 5 -15.419 -3.729 -10.981 1.00 0.00 N ATOM 40 CA SER A 5 -14.671 -4.710 -11.759 1.00 0.00 C ATOM 41 C SER A 5 -14.561 -6.031 -11.007 1.00 0.00 C ATOM 42 O SER A 5 -14.228 -6.058 -9.822 1.00 0.00 O ATOM 43 CB SER A 5 -13.274 -4.176 -12.081 1.00 0.00 C ATOM 44 OG SER A 5 -12.519 -3.972 -10.899 1.00 0.00 O ATOM 0 H SER A 5 -15.211 -3.735 -9.982 1.00 0.00 H new ATOM 0 HA SER A 5 -15.210 -4.887 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.754 -4.879 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.358 -3.237 -12.629 1.00 0.00 H new ATOM 0 HG SER A 5 -12.807 -4.609 -10.213 1.00 0.00 H new ATOM 50 N SER A 6 -14.843 -7.128 -11.703 1.00 0.00 N ATOM 51 CA SER A 6 -14.776 -8.455 -11.101 1.00 0.00 C ATOM 52 C SER A 6 -13.531 -9.201 -11.571 1.00 0.00 C ATOM 53 O SER A 6 -13.440 -9.611 -12.728 1.00 0.00 O ATOM 54 CB SER A 6 -16.029 -9.259 -11.450 1.00 0.00 C ATOM 55 OG SER A 6 -16.060 -9.586 -12.828 1.00 0.00 O ATOM 0 H SER A 6 -15.120 -7.124 -12.685 1.00 0.00 H new ATOM 0 HA SER A 6 -14.720 -8.335 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.055 -10.173 -10.856 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.918 -8.684 -11.190 1.00 0.00 H new ATOM 0 HG SER A 6 -15.147 -9.587 -13.185 1.00 0.00 H new ATOM 61 N GLY A 7 -12.575 -9.376 -10.665 1.00 0.00 N ATOM 62 CA GLY A 7 -11.349 -10.074 -11.005 1.00 0.00 C ATOM 63 C GLY A 7 -10.110 -9.267 -10.670 1.00 0.00 C ATOM 64 O GLY A 7 -9.856 -8.227 -11.277 1.00 0.00 O ATOM 0 H GLY A 7 -12.627 -9.047 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.315 -11.024 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.350 -10.307 -12.070 1.00 0.00 H new ATOM 68 N ALA A 8 -9.339 -9.747 -9.700 1.00 0.00 N ATOM 69 CA ALA A 8 -8.120 -9.062 -9.284 1.00 0.00 C ATOM 70 C ALA A 8 -7.113 -8.989 -10.426 1.00 0.00 C ATOM 71 O ALA A 8 -6.784 -10.004 -11.041 1.00 0.00 O ATOM 72 CB ALA A 8 -7.507 -9.763 -8.081 1.00 0.00 C ATOM 0 H ALA A 8 -9.536 -10.607 -9.188 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.383 -8.042 -9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.598 -9.242 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.218 -9.757 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.265 -10.793 -8.344 1.00 0.00 H new ATOM 78 N ALA A 9 -6.629 -7.784 -10.706 1.00 0.00 N ATOM 79 CA ALA A 9 -5.660 -7.579 -11.775 1.00 0.00 C ATOM 80 C ALA A 9 -4.252 -7.404 -11.214 1.00 0.00 C ATOM 81 O ALA A 9 -3.272 -7.820 -11.831 1.00 0.00 O ATOM 82 CB ALA A 9 -6.048 -6.371 -12.614 1.00 0.00 C ATOM 0 H ALA A 9 -6.892 -6.934 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.663 -8.465 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.316 -6.230 -13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.033 -6.534 -13.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.074 -5.483 -11.983 1.00 0.00 H new ATOM 88 N GLU A 10 -4.161 -6.788 -10.040 1.00 0.00 N ATOM 89 CA GLU A 10 -2.873 -6.558 -9.395 1.00 0.00 C ATOM 90 C GLU A 10 -2.739 -7.402 -8.133 1.00 0.00 C ATOM 91 O GLU A 10 -3.717 -7.638 -7.424 1.00 0.00 O ATOM 92 CB GLU A 10 -2.708 -5.077 -9.052 1.00 0.00 C ATOM 93 CG GLU A 10 -1.281 -4.687 -8.705 1.00 0.00 C ATOM 94 CD GLU A 10 -0.463 -4.321 -9.928 1.00 0.00 C ATOM 95 OE1 GLU A 10 -0.443 -5.117 -10.890 1.00 0.00 O ATOM 96 OE2 GLU A 10 0.158 -3.236 -9.924 1.00 0.00 O ATOM 0 H GLU A 10 -4.963 -6.439 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.088 -6.852 -10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.044 -4.477 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.357 -4.833 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.296 -3.842 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.799 -5.514 -8.184 1.00 0.00 H new ATOM 103 N VAL A 11 -1.519 -7.855 -7.857 1.00 0.00 N ATOM 104 CA VAL A 11 -1.256 -8.673 -6.679 1.00 0.00 C ATOM 105 C VAL A 11 -0.360 -7.937 -5.689 1.00 0.00 C ATOM 106 O VAL A 11 0.127 -6.842 -5.972 1.00 0.00 O ATOM 107 CB VAL A 11 -0.593 -10.009 -7.060 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.603 -10.942 -7.710 1.00 0.00 C ATOM 109 CG2 VAL A 11 0.594 -9.773 -7.980 1.00 0.00 C ATOM 0 H VAL A 11 -0.698 -7.669 -8.433 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.220 -8.875 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.229 -10.484 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.115 -11.881 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.418 -11.139 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.001 -10.476 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.050 -10.729 -8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.257 -9.274 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.328 -9.146 -7.473 1.00 0.00 H new ATOM 119 N GLY A 12 -0.144 -8.546 -4.528 1.00 0.00 N ATOM 120 CA GLY A 12 0.695 -7.934 -3.514 1.00 0.00 C ATOM 121 C GLY A 12 2.055 -8.595 -3.410 1.00 0.00 C ATOM 122 O GLY A 12 2.302 -9.626 -4.038 1.00 0.00 O ATOM 0 H GLY A 12 -0.535 -9.452 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.825 -6.877 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.192 -7.990 -2.548 1.00 0.00 H new ATOM 126 N ASP A 13 2.941 -8.002 -2.616 1.00 0.00 N ATOM 127 CA ASP A 13 4.284 -8.540 -2.432 1.00 0.00 C ATOM 128 C ASP A 13 4.336 -9.473 -1.226 1.00 0.00 C ATOM 129 O ASP A 13 3.623 -9.271 -0.243 1.00 0.00 O ATOM 130 CB ASP A 13 5.292 -7.403 -2.256 1.00 0.00 C ATOM 131 CG ASP A 13 6.718 -7.846 -2.525 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.966 -9.070 -2.548 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.585 -6.968 -2.714 1.00 0.00 O ATOM 0 H ASP A 13 2.753 -7.149 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 13 4.544 -9.112 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.035 -6.586 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.221 -7.013 -1.241 1.00 0.00 H new ATOM 138 N ASP A 14 5.183 -10.493 -1.308 1.00 0.00 N ATOM 139 CA ASP A 14 5.327 -11.456 -0.224 1.00 0.00 C ATOM 140 C ASP A 14 6.418 -11.019 0.751 1.00 0.00 C ATOM 141 O ASP A 14 7.326 -11.788 1.070 1.00 0.00 O ATOM 142 CB ASP A 14 5.649 -12.843 -0.785 1.00 0.00 C ATOM 143 CG ASP A 14 4.946 -13.951 -0.027 1.00 0.00 C ATOM 144 OD1 ASP A 14 5.522 -14.453 0.962 1.00 0.00 O ATOM 145 OD2 ASP A 14 3.819 -14.317 -0.420 1.00 0.00 O ATOM 0 H ASP A 14 5.780 -10.674 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 14 4.381 -11.503 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.358 -12.884 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.726 -13.007 -0.746 1.00 0.00 H new ATOM 150 N PHE A 15 6.321 -9.781 1.221 1.00 0.00 N ATOM 151 CA PHE A 15 7.296 -9.241 2.160 1.00 0.00 C ATOM 152 C PHE A 15 6.883 -7.850 2.633 1.00 0.00 C ATOM 153 O PHE A 15 6.661 -6.949 1.825 1.00 0.00 O ATOM 154 CB PHE A 15 8.681 -9.181 1.513 1.00 0.00 C ATOM 155 CG PHE A 15 9.782 -8.850 2.479 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.164 -9.759 3.453 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.436 -7.630 2.414 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.177 -9.458 4.344 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.449 -7.323 3.302 1.00 0.00 C ATOM 160 CZ PHE A 15 11.820 -8.238 4.267 1.00 0.00 C ATOM 0 H PHE A 15 5.576 -9.132 0.967 1.00 0.00 H new ATOM 0 HA PHE A 15 7.335 -9.903 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.896 -10.142 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.670 -8.435 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.664 -10.714 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.151 -6.911 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.465 -10.175 5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.950 -6.368 3.241 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.612 -8.000 4.961 1.00 0.00 H new ATOM 170 N LEU A 16 6.782 -7.685 3.948 1.00 0.00 N ATOM 171 CA LEU A 16 6.396 -6.405 4.530 1.00 0.00 C ATOM 172 C LEU A 16 7.597 -5.469 4.635 1.00 0.00 C ATOM 173 O LEU A 16 8.741 -5.917 4.698 1.00 0.00 O ATOM 174 CB LEU A 16 5.776 -6.616 5.912 1.00 0.00 C ATOM 175 CG LEU A 16 4.406 -7.295 5.911 1.00 0.00 C ATOM 176 CD1 LEU A 16 4.034 -7.749 7.314 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.347 -6.355 5.354 1.00 0.00 C ATOM 0 H LEU A 16 6.962 -8.421 4.630 1.00 0.00 H new ATOM 0 HA LEU A 16 5.657 -5.945 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.461 -7.215 6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.684 -5.648 6.404 1.00 0.00 H new ATOM 0 HG LEU A 16 4.457 -8.174 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.056 -8.230 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.779 -8.457 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.000 -6.886 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.378 -6.854 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.297 -5.457 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.606 -6.079 4.332 1.00 0.00 H new ATOM 189 N GLY A 17 7.326 -4.168 4.652 1.00 0.00 N ATOM 190 CA GLY A 17 8.393 -3.190 4.749 1.00 0.00 C ATOM 191 C GLY A 17 8.549 -2.638 6.153 1.00 0.00 C ATOM 192 O GLY A 17 7.956 -3.155 7.099 1.00 0.00 O ATOM 0 H GLY A 17 6.387 -3.774 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.331 -3.648 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.193 -2.370 4.060 1.00 0.00 H new ATOM 196 N ASP A 18 9.350 -1.586 6.286 1.00 0.00 N ATOM 197 CA ASP A 18 9.582 -0.963 7.584 1.00 0.00 C ATOM 198 C ASP A 18 8.707 0.273 7.760 1.00 0.00 C ATOM 199 O ASP A 18 9.131 1.268 8.348 1.00 0.00 O ATOM 200 CB ASP A 18 11.057 -0.583 7.734 1.00 0.00 C ATOM 201 CG ASP A 18 11.584 -0.849 9.131 1.00 0.00 C ATOM 202 OD1 ASP A 18 11.182 -0.122 10.064 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.399 -1.781 9.291 1.00 0.00 O ATOM 0 H ASP A 18 9.849 -1.147 5.512 1.00 0.00 H new ATOM 0 HA ASP A 18 9.318 -1.685 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.649 -1.145 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.183 0.473 7.496 1.00 0.00 H new ATOM 208 N PHE A 19 7.483 0.204 7.246 1.00 0.00 N ATOM 209 CA PHE A 19 6.547 1.318 7.346 1.00 0.00 C ATOM 210 C PHE A 19 5.423 0.997 8.325 1.00 0.00 C ATOM 211 O PHE A 19 4.789 -0.055 8.236 1.00 0.00 O ATOM 212 CB PHE A 19 5.964 1.645 5.971 1.00 0.00 C ATOM 213 CG PHE A 19 7.008 1.863 4.913 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.938 2.882 5.038 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.057 1.050 3.792 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.899 3.085 4.067 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.017 1.247 2.818 1.00 0.00 C ATOM 218 CZ PHE A 19 8.939 2.267 2.954 1.00 0.00 C ATOM 0 H PHE A 19 7.116 -0.612 6.756 1.00 0.00 H new ATOM 0 HA PHE A 19 7.091 2.186 7.718 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.308 0.832 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.347 2.540 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.911 3.525 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.337 0.253 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.619 3.883 4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.047 0.604 1.951 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.689 2.425 2.193 1.00 0.00 H new ATOM 228 N VAL A 20 5.180 1.911 9.259 1.00 0.00 N ATOM 229 CA VAL A 20 4.132 1.725 10.255 1.00 0.00 C ATOM 230 C VAL A 20 2.904 2.566 9.922 1.00 0.00 C ATOM 231 O VAL A 20 2.880 3.275 8.917 1.00 0.00 O ATOM 232 CB VAL A 20 4.625 2.095 11.666 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.717 1.139 12.119 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.118 3.534 11.699 1.00 0.00 C ATOM 0 H VAL A 20 5.695 2.787 9.347 1.00 0.00 H new ATOM 0 HA VAL A 20 3.863 0.669 10.238 1.00 0.00 H new ATOM 0 HB VAL A 20 3.788 2.006 12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.052 1.417 13.118 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.326 0.122 12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.557 1.192 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.462 3.778 12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.941 3.653 10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.304 4.204 11.422 1.00 0.00 H new ATOM 244 N VAL A 21 1.886 2.480 10.772 1.00 0.00 N ATOM 245 CA VAL A 21 0.655 3.233 10.568 1.00 0.00 C ATOM 246 C VAL A 21 0.747 4.617 11.203 1.00 0.00 C ATOM 247 O VAL A 21 1.128 4.754 12.365 1.00 0.00 O ATOM 248 CB VAL A 21 -0.561 2.492 11.154 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.854 3.188 10.760 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.568 1.040 10.701 1.00 0.00 C ATOM 0 H VAL A 21 1.890 1.896 11.608 1.00 0.00 H new ATOM 0 HA VAL A 21 0.522 3.337 9.491 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.485 2.510 12.241 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.701 2.649 11.184 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.847 4.210 11.139 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.942 3.205 9.674 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.434 0.531 11.124 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.619 0.999 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.344 0.548 11.041 1.00 0.00 H new ATOM 260 N GLY A 22 0.395 5.641 10.432 1.00 0.00 N ATOM 261 CA GLY A 22 0.444 7.001 10.935 1.00 0.00 C ATOM 262 C GLY A 22 1.525 7.829 10.269 1.00 0.00 C ATOM 263 O GLY A 22 1.403 9.048 10.158 1.00 0.00 O ATOM 0 H GLY A 22 0.076 5.553 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.523 7.478 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.618 6.981 12.011 1.00 0.00 H new ATOM 267 N GLU A 23 2.586 7.163 9.823 1.00 0.00 N ATOM 268 CA GLU A 23 3.694 7.845 9.164 1.00 0.00 C ATOM 269 C GLU A 23 3.343 8.181 7.718 1.00 0.00 C ATOM 270 O GLU A 23 2.245 7.881 7.250 1.00 0.00 O ATOM 271 CB GLU A 23 4.953 6.977 9.206 1.00 0.00 C ATOM 272 CG GLU A 23 4.738 5.567 8.679 1.00 0.00 C ATOM 273 CD GLU A 23 6.015 4.942 8.152 1.00 0.00 C ATOM 274 OE1 GLU A 23 7.017 4.920 8.896 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.011 4.473 6.994 1.00 0.00 O ATOM 0 H GLU A 23 2.701 6.153 9.906 1.00 0.00 H new ATOM 0 HA GLU A 23 3.884 8.775 9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.736 7.459 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.312 6.921 10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.334 4.943 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.993 5.590 7.883 1.00 0.00 H new ATOM 282 N ARG A 24 4.281 8.809 7.017 1.00 0.00 N ATOM 283 CA ARG A 24 4.071 9.187 5.624 1.00 0.00 C ATOM 284 C ARG A 24 5.061 8.471 4.712 1.00 0.00 C ATOM 285 O ARG A 24 6.275 8.593 4.877 1.00 0.00 O ATOM 286 CB ARG A 24 4.207 10.703 5.460 1.00 0.00 C ATOM 287 CG ARG A 24 3.031 11.346 4.740 1.00 0.00 C ATOM 288 CD ARG A 24 2.672 12.694 5.346 1.00 0.00 C ATOM 289 NE ARG A 24 2.748 13.773 4.362 1.00 0.00 N ATOM 290 CZ ARG A 24 1.817 14.001 3.439 1.00 0.00 C ATOM 291 NH1 ARG A 24 0.739 13.230 3.369 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.965 15.004 2.583 1.00 0.00 N ATOM 0 H ARG A 24 5.194 9.067 7.391 1.00 0.00 H new ATOM 0 HA ARG A 24 3.062 8.888 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.312 11.158 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.122 10.920 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.275 11.474 3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.167 10.683 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.664 12.649 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.346 12.910 6.175 1.00 0.00 H new ATOM 0 HE ARG A 24 3.562 14.387 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.621 12.458 4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.029 13.410 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.792 15.599 2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.252 15.180 1.875 1.00 0.00 H new ATOM 306 N VAL A 25 4.534 7.722 3.747 1.00 0.00 N ATOM 307 CA VAL A 25 5.370 6.986 2.808 1.00 0.00 C ATOM 308 C VAL A 25 5.007 7.325 1.365 1.00 0.00 C ATOM 309 O VAL A 25 3.850 7.608 1.056 1.00 0.00 O ATOM 310 CB VAL A 25 5.240 5.465 3.012 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.910 5.040 4.310 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.778 5.048 2.996 1.00 0.00 C ATOM 0 H VAL A 25 3.531 7.610 3.596 1.00 0.00 H new ATOM 0 HA VAL A 25 6.400 7.285 3.002 1.00 0.00 H new ATOM 0 HB VAL A 25 5.746 4.962 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.808 3.962 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.967 5.303 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.436 5.550 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.705 3.970 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.245 5.559 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.334 5.315 2.037 1.00 0.00 H new ATOM 322 N TRP A 26 6.004 7.295 0.487 1.00 0.00 N ATOM 323 CA TRP A 26 5.790 7.598 -0.923 1.00 0.00 C ATOM 324 C TRP A 26 5.457 6.333 -1.707 1.00 0.00 C ATOM 325 O TRP A 26 6.259 5.402 -1.772 1.00 0.00 O ATOM 326 CB TRP A 26 7.031 8.268 -1.517 1.00 0.00 C ATOM 327 CG TRP A 26 7.094 9.742 -1.251 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.850 10.746 -2.143 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.426 10.376 -0.011 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.009 11.967 -1.533 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.362 11.767 -0.224 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.769 9.904 1.259 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.629 12.688 0.786 1.00 0.00 C ATOM 334 CZ3 TRP A 26 8.034 10.820 2.260 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.963 12.198 2.019 1.00 0.00 C ATOM 0 H TRP A 26 6.968 7.064 0.727 1.00 0.00 H new ATOM 0 HA TRP A 26 4.945 8.283 -0.997 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.923 7.794 -1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.046 8.099 -2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.573 10.602 -3.177 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.885 12.875 -1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.826 8.843 1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.574 13.751 0.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.300 10.467 3.245 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.176 12.887 2.823 1.00 0.00 H new ATOM 346 N VAL A 27 4.268 6.307 -2.301 1.00 0.00 N ATOM 347 CA VAL A 27 3.829 5.156 -3.081 1.00 0.00 C ATOM 348 C VAL A 27 4.573 5.074 -4.409 1.00 0.00 C ATOM 349 O VAL A 27 4.293 5.834 -5.336 1.00 0.00 O ATOM 350 CB VAL A 27 2.315 5.209 -3.356 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.841 3.912 -3.995 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.548 5.493 -2.074 1.00 0.00 C ATOM 0 H VAL A 27 3.592 7.070 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 27 4.053 4.269 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 27 2.120 6.022 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.769 3.969 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.366 3.758 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.049 3.079 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.480 5.527 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.748 4.704 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.866 6.452 -1.665 1.00 0.00 H new ATOM 362 N ASN A 28 5.523 4.148 -4.494 1.00 0.00 N ATOM 363 CA ASN A 28 6.307 3.968 -5.709 1.00 0.00 C ATOM 364 C ASN A 28 7.079 5.239 -6.054 1.00 0.00 C ATOM 365 O ASN A 28 7.335 5.525 -7.223 1.00 0.00 O ATOM 366 CB ASN A 28 5.395 3.574 -6.874 1.00 0.00 C ATOM 367 CG ASN A 28 5.648 2.158 -7.354 1.00 0.00 C ATOM 368 OD1 ASN A 28 6.733 1.608 -7.160 1.00 0.00 O ATOM 369 ND2 ASN A 28 4.646 1.559 -7.985 1.00 0.00 N ATOM 0 H ASN A 28 5.768 3.511 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 28 7.026 3.168 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.354 3.669 -6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.547 4.268 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.758 0.606 -8.331 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.764 2.052 -8.124 1.00 0.00 H new ATOM 376 N GLY A 29 7.446 5.999 -5.027 1.00 0.00 N ATOM 377 CA GLY A 29 8.184 7.229 -5.242 1.00 0.00 C ATOM 378 C GLY A 29 7.397 8.245 -6.046 1.00 0.00 C ATOM 379 O GLY A 29 7.974 9.076 -6.746 1.00 0.00 O ATOM 0 H GLY A 29 7.245 5.785 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.451 7.662 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.116 7.004 -5.760 1.00 0.00 H new ATOM 383 N VAL A 30 6.073 8.178 -5.944 1.00 0.00 N ATOM 384 CA VAL A 30 5.204 9.099 -6.668 1.00 0.00 C ATOM 385 C VAL A 30 4.697 10.209 -5.753 1.00 0.00 C ATOM 386 O VAL A 30 5.043 11.377 -5.926 1.00 0.00 O ATOM 387 CB VAL A 30 3.998 8.366 -7.284 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.215 9.298 -8.197 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.455 7.128 -8.041 1.00 0.00 C ATOM 0 H VAL A 30 5.579 7.496 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 30 5.802 9.535 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 30 3.339 8.048 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.367 8.762 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.854 10.151 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.863 9.649 -9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.589 6.623 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.136 7.421 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.968 6.452 -7.357 1.00 0.00 H new ATOM 399 N LYS A 31 3.874 9.835 -4.778 1.00 0.00 N ATOM 400 CA LYS A 31 3.319 10.800 -3.835 1.00 0.00 C ATOM 401 C LYS A 31 3.228 10.200 -2.433 1.00 0.00 C ATOM 402 O LYS A 31 2.952 9.010 -2.276 1.00 0.00 O ATOM 403 CB LYS A 31 1.934 11.257 -4.298 1.00 0.00 C ATOM 404 CG LYS A 31 1.959 12.523 -5.138 1.00 0.00 C ATOM 405 CD LYS A 31 0.663 13.306 -5.004 1.00 0.00 C ATOM 406 CE LYS A 31 0.551 14.384 -6.070 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.293 13.946 -7.217 1.00 0.00 N ATOM 0 H LYS A 31 3.577 8.872 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 31 3.985 11.662 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.471 10.457 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.305 11.424 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.797 13.149 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.122 12.264 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.185 12.625 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.613 13.763 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.126 15.286 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.547 14.643 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.235 14.651 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.047 13.028 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.281 13.854 -6.906 1.00 0.00 H new ATOM 421 N PRO A 32 3.460 11.018 -1.391 1.00 0.00 N ATOM 422 CA PRO A 32 3.403 10.560 0.000 1.00 0.00 C ATOM 423 C PRO A 32 1.972 10.332 0.475 1.00 0.00 C ATOM 424 O PRO A 32 1.042 11.001 0.023 1.00 0.00 O ATOM 425 CB PRO A 32 4.046 11.709 0.774 1.00 0.00 C ATOM 426 CG PRO A 32 3.778 12.917 -0.056 1.00 0.00 C ATOM 427 CD PRO A 32 3.796 12.453 -1.487 1.00 0.00 C ATOM 0 HA PRO A 32 3.904 9.602 0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.613 11.808 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.116 11.548 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.814 13.359 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.535 13.683 0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.070 12.995 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.773 12.606 -1.946 1.00 0.00 H new ATOM 435 N GLY A 33 1.801 9.382 1.389 1.00 0.00 N ATOM 436 CA GLY A 33 0.480 9.083 1.910 1.00 0.00 C ATOM 437 C GLY A 33 0.518 8.602 3.348 1.00 0.00 C ATOM 438 O GLY A 33 1.520 8.045 3.797 1.00 0.00 O ATOM 0 H GLY A 33 2.554 8.814 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.143 9.975 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.011 8.321 1.288 1.00 0.00 H new ATOM 442 N VAL A 34 -0.576 8.819 4.071 1.00 0.00 N ATOM 443 CA VAL A 34 -0.663 8.403 5.466 1.00 0.00 C ATOM 444 C VAL A 34 -1.095 6.945 5.579 1.00 0.00 C ATOM 445 O VAL A 34 -2.202 6.583 5.180 1.00 0.00 O ATOM 446 CB VAL A 34 -1.654 9.282 6.253 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.585 8.966 7.739 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.379 10.756 5.999 1.00 0.00 C ATOM 0 H VAL A 34 -1.413 9.280 3.715 1.00 0.00 H new ATOM 0 HA VAL A 34 0.333 8.518 5.893 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.663 9.060 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.292 9.597 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.837 7.918 7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.576 9.157 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.089 11.361 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.364 10.997 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.486 10.968 4.935 1.00 0.00 H new ATOM 458 N VAL A 35 -0.214 6.113 6.123 1.00 0.00 N ATOM 459 CA VAL A 35 -0.503 4.693 6.287 1.00 0.00 C ATOM 460 C VAL A 35 -1.622 4.474 7.299 1.00 0.00 C ATOM 461 O VAL A 35 -1.605 5.040 8.392 1.00 0.00 O ATOM 462 CB VAL A 35 0.745 3.914 6.743 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.481 2.418 6.717 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.941 4.268 5.873 1.00 0.00 C ATOM 0 H VAL A 35 0.706 6.397 6.458 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.819 4.320 5.313 1.00 0.00 H new ATOM 0 HB VAL A 35 0.974 4.199 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.374 1.885 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.346 2.183 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.225 2.111 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.814 3.709 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.724 4.013 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.143 5.336 5.950 1.00 0.00 H new ATOM 474 N GLN A 36 -2.595 3.649 6.926 1.00 0.00 N ATOM 475 CA GLN A 36 -3.725 3.353 7.801 1.00 0.00 C ATOM 476 C GLN A 36 -3.812 1.857 8.088 1.00 0.00 C ATOM 477 O GLN A 36 -4.049 1.445 9.224 1.00 0.00 O ATOM 478 CB GLN A 36 -5.029 3.840 7.166 1.00 0.00 C ATOM 479 CG GLN A 36 -5.413 5.252 7.574 1.00 0.00 C ATOM 480 CD GLN A 36 -5.801 5.352 9.037 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.970 5.206 9.393 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.817 5.603 9.894 1.00 0.00 N ATOM 0 H GLN A 36 -2.624 3.173 6.024 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.571 3.877 8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.933 3.797 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.834 3.159 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.577 5.923 7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.246 5.591 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.862 5.717 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.017 5.682 10.891 1.00 0.00 H new ATOM 491 N TYR A 37 -3.620 1.048 7.050 1.00 0.00 N ATOM 492 CA TYR A 37 -3.678 -0.403 7.191 1.00 0.00 C ATOM 493 C TYR A 37 -2.349 -1.041 6.797 1.00 0.00 C ATOM 494 O TYR A 37 -1.646 -0.542 5.918 1.00 0.00 O ATOM 495 CB TYR A 37 -4.809 -0.974 6.333 1.00 0.00 C ATOM 496 CG TYR A 37 -5.665 -1.988 7.057 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.581 -1.589 8.022 1.00 0.00 C ATOM 498 CD2 TYR A 37 -5.557 -3.345 6.776 1.00 0.00 C ATOM 499 CE1 TYR A 37 -7.366 -2.513 8.686 1.00 0.00 C ATOM 500 CE2 TYR A 37 -6.338 -4.275 7.435 1.00 0.00 C ATOM 501 CZ TYR A 37 -7.240 -3.853 8.389 1.00 0.00 C ATOM 502 OH TYR A 37 -8.020 -4.777 9.049 1.00 0.00 O ATOM 0 H TYR A 37 -3.423 1.372 6.103 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.874 -0.635 8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.442 -0.156 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.381 -1.440 5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.682 -0.540 8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.851 -3.678 6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.074 -2.187 9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.243 -5.326 7.204 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.809 -5.676 8.722 1.00 0.00 H new ATOM 512 N LEU A 38 -2.013 -2.147 7.452 1.00 0.00 N ATOM 513 CA LEU A 38 -0.769 -2.855 7.170 1.00 0.00 C ATOM 514 C LEU A 38 -0.901 -4.338 7.500 1.00 0.00 C ATOM 515 O LEU A 38 -1.183 -4.709 8.640 1.00 0.00 O ATOM 516 CB LEU A 38 0.383 -2.243 7.970 1.00 0.00 C ATOM 517 CG LEU A 38 0.985 -0.973 7.368 1.00 0.00 C ATOM 518 CD1 LEU A 38 2.009 -0.367 8.317 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.620 -1.273 6.019 1.00 0.00 C ATOM 0 H LEU A 38 -2.584 -2.573 8.182 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.556 -2.755 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.028 -2.017 8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.172 -2.988 8.071 1.00 0.00 H new ATOM 0 HG LEU A 38 0.184 -0.249 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.427 0.536 7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.526 -0.116 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.808 -1.086 8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.044 -0.358 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.410 -2.014 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.863 -1.663 5.339 1.00 0.00 H new ATOM 531 N GLY A 39 -0.695 -5.183 6.495 1.00 0.00 N ATOM 532 CA GLY A 39 -0.795 -6.616 6.699 1.00 0.00 C ATOM 533 C GLY A 39 -1.126 -7.364 5.422 1.00 0.00 C ATOM 534 O GLY A 39 -0.296 -7.458 4.517 1.00 0.00 O ATOM 0 H GLY A 39 -0.461 -4.901 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.147 -6.989 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.563 -6.821 7.445 1.00 0.00 H new ATOM 538 N GLU A 40 -2.341 -7.895 5.348 1.00 0.00 N ATOM 539 CA GLU A 40 -2.780 -8.638 4.172 1.00 0.00 C ATOM 540 C GLU A 40 -4.224 -8.294 3.819 1.00 0.00 C ATOM 541 O GLU A 40 -5.054 -8.079 4.701 1.00 0.00 O ATOM 542 CB GLU A 40 -2.646 -10.143 4.415 1.00 0.00 C ATOM 543 CG GLU A 40 -1.323 -10.721 3.939 1.00 0.00 C ATOM 544 CD GLU A 40 -1.380 -12.223 3.745 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.893 -12.919 4.647 1.00 0.00 O ATOM 546 OE2 GLU A 40 -0.912 -12.703 2.691 1.00 0.00 O ATOM 0 H GLU A 40 -3.040 -7.825 6.088 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.143 -8.354 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.757 -10.342 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.462 -10.658 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.041 -10.247 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.544 -10.481 4.663 1.00 0.00 H new ATOM 553 N THR A 41 -4.514 -8.244 2.523 1.00 0.00 N ATOM 554 CA THR A 41 -5.857 -7.926 2.052 1.00 0.00 C ATOM 555 C THR A 41 -6.633 -9.197 1.722 1.00 0.00 C ATOM 556 O THR A 41 -6.121 -10.306 1.874 1.00 0.00 O ATOM 557 CB THR A 41 -5.788 -7.022 0.821 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.243 -7.722 -0.285 1.00 0.00 O ATOM 559 CG2 THR A 41 -4.952 -5.780 1.035 1.00 0.00 C ATOM 0 H THR A 41 -3.837 -8.420 1.780 1.00 0.00 H new ATOM 0 HA THR A 41 -6.380 -7.400 2.851 1.00 0.00 H new ATOM 0 HB THR A 41 -6.817 -6.718 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.337 -7.178 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.946 -5.184 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.375 -5.192 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.931 -6.067 1.288 1.00 0.00 H new ATOM 567 N GLN A 42 -7.872 -9.027 1.271 1.00 0.00 N ATOM 568 CA GLN A 42 -8.719 -10.161 0.920 1.00 0.00 C ATOM 569 C GLN A 42 -8.945 -10.228 -0.588 1.00 0.00 C ATOM 570 O GLN A 42 -9.137 -11.307 -1.149 1.00 0.00 O ATOM 571 CB GLN A 42 -10.063 -10.063 1.644 1.00 0.00 C ATOM 572 CG GLN A 42 -9.932 -9.863 3.145 1.00 0.00 C ATOM 573 CD GLN A 42 -9.565 -11.142 3.873 1.00 0.00 C ATOM 574 OE1 GLN A 42 -9.116 -12.111 3.262 1.00 0.00 O ATOM 575 NE2 GLN A 42 -9.757 -11.150 5.187 1.00 0.00 N ATOM 0 H GLN A 42 -8.311 -8.116 1.140 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.210 -11.072 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.633 -9.234 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.635 -10.971 1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.173 -9.106 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.873 -9.481 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.132 -10.323 5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.530 -11.983 5.731 1.00 0.00 H new ATOM 584 N PHE A 43 -8.921 -9.069 -1.239 1.00 0.00 N ATOM 585 CA PHE A 43 -9.126 -8.998 -2.681 1.00 0.00 C ATOM 586 C PHE A 43 -8.038 -9.765 -3.426 1.00 0.00 C ATOM 587 O PHE A 43 -8.285 -10.338 -4.487 1.00 0.00 O ATOM 588 CB PHE A 43 -9.150 -7.539 -3.143 1.00 0.00 C ATOM 589 CG PHE A 43 -7.836 -6.830 -2.973 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.833 -6.967 -3.920 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.605 -6.025 -1.869 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.624 -6.316 -3.768 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.398 -5.372 -1.712 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.407 -5.517 -2.662 1.00 0.00 C ATOM 0 H PHE A 43 -8.762 -8.167 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.087 -9.459 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.438 -7.505 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.917 -7.003 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.999 -7.590 -4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.377 -5.907 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.850 -6.431 -4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.230 -4.748 -0.846 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.463 -5.006 -2.541 1.00 0.00 H new ATOM 604 N ALA A 44 -6.832 -9.771 -2.864 1.00 0.00 N ATOM 605 CA ALA A 44 -5.708 -10.468 -3.477 1.00 0.00 C ATOM 606 C ALA A 44 -4.747 -11.002 -2.418 1.00 0.00 C ATOM 607 O ALA A 44 -4.684 -10.481 -1.305 1.00 0.00 O ATOM 608 CB ALA A 44 -4.976 -9.543 -4.437 1.00 0.00 C ATOM 0 H ALA A 44 -6.610 -9.301 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.100 -11.318 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.139 -10.076 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.661 -9.214 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.603 -8.675 -3.893 1.00 0.00 H new ATOM 614 N PRO A 45 -3.983 -12.056 -2.753 1.00 0.00 N ATOM 615 CA PRO A 45 -3.023 -12.662 -1.826 1.00 0.00 C ATOM 616 C PRO A 45 -1.790 -11.789 -1.616 1.00 0.00 C ATOM 617 O PRO A 45 -1.768 -10.623 -2.010 1.00 0.00 O ATOM 618 CB PRO A 45 -2.638 -13.968 -2.523 1.00 0.00 C ATOM 619 CG PRO A 45 -2.835 -13.693 -3.973 1.00 0.00 C ATOM 620 CD PRO A 45 -3.997 -12.740 -4.061 1.00 0.00 C ATOM 0 HA PRO A 45 -3.447 -12.800 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.605 -14.242 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.264 -14.795 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.938 -13.256 -4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.043 -14.613 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.876 -12.035 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.936 -13.267 -4.228 1.00 0.00 H new ATOM 628 N GLY A 46 -0.765 -12.361 -0.992 1.00 0.00 N ATOM 629 CA GLY A 46 0.458 -11.621 -0.740 1.00 0.00 C ATOM 630 C GLY A 46 0.264 -10.503 0.265 1.00 0.00 C ATOM 631 O GLY A 46 -0.863 -10.085 0.530 1.00 0.00 O ATOM 0 H GLY A 46 -0.760 -13.324 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.224 -12.305 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.825 -11.203 -1.677 1.00 0.00 H new ATOM 635 N GLN A 47 1.367 -10.018 0.825 1.00 0.00 N ATOM 636 CA GLN A 47 1.315 -8.941 1.808 1.00 0.00 C ATOM 637 C GLN A 47 0.965 -7.614 1.141 1.00 0.00 C ATOM 638 O GLN A 47 1.441 -7.313 0.047 1.00 0.00 O ATOM 639 CB GLN A 47 2.656 -8.821 2.536 1.00 0.00 C ATOM 640 CG GLN A 47 3.145 -10.132 3.130 1.00 0.00 C ATOM 641 CD GLN A 47 2.212 -10.672 4.197 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.732 -11.801 4.105 1.00 0.00 O ATOM 643 NE2 GLN A 47 1.952 -9.864 5.218 1.00 0.00 N ATOM 0 H GLN A 47 2.307 -10.353 0.615 1.00 0.00 H new ATOM 0 HA GLN A 47 0.537 -9.180 2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.406 -8.445 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.563 -8.083 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.248 -10.871 2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.136 -9.985 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.372 -8.935 5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.332 -10.172 5.967 1.00 0.00 H new ATOM 652 N TRP A 48 0.132 -6.824 1.810 1.00 0.00 N ATOM 653 CA TRP A 48 -0.282 -5.529 1.286 1.00 0.00 C ATOM 654 C TRP A 48 -0.063 -4.428 2.318 1.00 0.00 C ATOM 655 O TRP A 48 0.211 -4.705 3.486 1.00 0.00 O ATOM 656 CB TRP A 48 -1.754 -5.570 0.873 1.00 0.00 C ATOM 657 CG TRP A 48 -1.979 -6.208 -0.463 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.152 -7.538 -0.714 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.056 -5.545 -1.731 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.331 -7.744 -2.062 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.276 -6.536 -2.706 1.00 0.00 C ATOM 662 CE3 TRP A 48 -1.959 -4.210 -2.135 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.402 -6.233 -4.060 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.084 -3.911 -3.479 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.304 -4.918 -4.427 1.00 0.00 C ATOM 0 H TRP A 48 -0.270 -7.059 2.718 1.00 0.00 H new ATOM 0 HA TRP A 48 0.329 -5.308 0.411 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.320 -6.115 1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.147 -4.553 0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.149 -8.315 0.036 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.480 -8.648 -2.509 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.790 -3.427 -1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.571 -7.008 -4.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.011 -2.883 -3.803 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.398 -4.651 -5.469 1.00 0.00 H new ATOM 676 N ALA A 49 -0.183 -3.179 1.880 1.00 0.00 N ATOM 677 CA ALA A 49 0.002 -2.038 2.767 1.00 0.00 C ATOM 678 C ALA A 49 -0.878 -0.866 2.345 1.00 0.00 C ATOM 679 O ALA A 49 -0.560 -0.148 1.398 1.00 0.00 O ATOM 680 CB ALA A 49 1.465 -1.621 2.790 1.00 0.00 C ATOM 0 H ALA A 49 -0.408 -2.932 0.916 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.295 -2.338 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.590 -0.768 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.075 -2.452 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.780 -1.345 1.784 1.00 0.00 H new ATOM 686 N GLY A 50 -1.985 -0.678 3.056 1.00 0.00 N ATOM 687 CA GLY A 50 -2.893 0.408 2.740 1.00 0.00 C ATOM 688 C GLY A 50 -2.299 1.769 3.045 1.00 0.00 C ATOM 689 O GLY A 50 -1.681 1.963 4.092 1.00 0.00 O ATOM 0 H GLY A 50 -2.269 -1.258 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.159 0.360 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.816 0.283 3.307 1.00 0.00 H new ATOM 693 N VAL A 51 -2.485 2.713 2.129 1.00 0.00 N ATOM 694 CA VAL A 51 -1.963 4.062 2.304 1.00 0.00 C ATOM 695 C VAL A 51 -2.984 5.108 1.871 1.00 0.00 C ATOM 696 O VAL A 51 -3.660 4.946 0.855 1.00 0.00 O ATOM 697 CB VAL A 51 -0.662 4.271 1.506 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.026 5.606 1.859 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.308 3.126 1.758 1.00 0.00 C ATOM 0 H VAL A 51 -2.994 2.568 1.257 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.752 4.182 3.367 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.907 4.283 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.892 5.735 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.719 6.413 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.206 5.628 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.221 3.290 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.548 3.080 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.150 2.187 1.448 1.00 0.00 H new ATOM 709 N VAL A 52 -3.092 6.181 2.647 1.00 0.00 N ATOM 710 CA VAL A 52 -4.031 7.253 2.342 1.00 0.00 C ATOM 711 C VAL A 52 -3.313 8.458 1.743 1.00 0.00 C ATOM 712 O VAL A 52 -2.605 9.182 2.444 1.00 0.00 O ATOM 713 CB VAL A 52 -4.802 7.701 3.599 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.884 8.706 3.235 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.402 6.499 4.316 1.00 0.00 C ATOM 0 H VAL A 52 -2.541 6.331 3.492 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.739 6.856 1.614 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.100 8.187 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.417 9.010 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.427 9.580 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.585 8.249 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.942 6.836 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.089 5.981 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.605 5.818 4.615 1.00 0.00 H new ATOM 725 N LEU A 53 -3.501 8.667 0.445 1.00 0.00 N ATOM 726 CA LEU A 53 -2.872 9.784 -0.248 1.00 0.00 C ATOM 727 C LEU A 53 -3.523 11.106 0.146 1.00 0.00 C ATOM 728 O LEU A 53 -4.739 11.183 0.320 1.00 0.00 O ATOM 729 CB LEU A 53 -2.964 9.589 -1.762 1.00 0.00 C ATOM 730 CG LEU A 53 -2.116 8.444 -2.320 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.543 8.108 -3.741 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.638 8.807 -2.276 1.00 0.00 C ATOM 0 H LEU A 53 -4.084 8.077 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.822 9.815 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.006 9.412 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.663 10.515 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.272 7.563 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.929 7.292 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.591 7.807 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.416 8.985 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.049 7.982 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.465 9.701 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.341 8.998 -1.245 1.00 0.00 H new ATOM 744 N ASP A 54 -2.706 12.145 0.286 1.00 0.00 N ATOM 745 CA ASP A 54 -3.202 13.464 0.660 1.00 0.00 C ATOM 746 C ASP A 54 -4.182 13.992 -0.384 1.00 0.00 C ATOM 747 O ASP A 54 -5.255 14.490 -0.045 1.00 0.00 O ATOM 748 CB ASP A 54 -2.038 14.441 0.824 1.00 0.00 C ATOM 749 CG ASP A 54 -2.248 15.401 1.980 1.00 0.00 C ATOM 750 OD1 ASP A 54 -3.290 16.089 1.998 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.370 15.465 2.866 1.00 0.00 O ATOM 0 H ASP A 54 -1.697 12.099 0.146 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.727 13.372 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.117 13.881 0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.911 15.009 -0.098 1.00 0.00 H new ATOM 756 N ASP A 55 -3.804 13.880 -1.653 1.00 0.00 N ATOM 757 CA ASP A 55 -4.650 14.346 -2.746 1.00 0.00 C ATOM 758 C ASP A 55 -5.537 13.219 -3.268 1.00 0.00 C ATOM 759 O ASP A 55 -5.176 12.045 -3.184 1.00 0.00 O ATOM 760 CB ASP A 55 -3.790 14.903 -3.882 1.00 0.00 C ATOM 761 CG ASP A 55 -2.736 15.873 -3.387 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.068 16.733 -2.546 1.00 0.00 O ATOM 763 OD2 ASP A 55 -1.576 15.772 -3.841 1.00 0.00 O ATOM 0 H ASP A 55 -2.918 13.471 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.292 15.139 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.304 14.079 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.431 15.406 -4.606 1.00 0.00 H new ATOM 768 N PRO A 56 -6.715 13.562 -3.817 1.00 0.00 N ATOM 769 CA PRO A 56 -7.654 12.573 -4.354 1.00 0.00 C ATOM 770 C PRO A 56 -7.154 11.943 -5.650 1.00 0.00 C ATOM 771 O PRO A 56 -7.777 12.082 -6.703 1.00 0.00 O ATOM 772 CB PRO A 56 -8.922 13.391 -4.610 1.00 0.00 C ATOM 773 CG PRO A 56 -8.435 14.781 -4.832 1.00 0.00 C ATOM 774 CD PRO A 56 -7.222 14.941 -3.957 1.00 0.00 C ATOM 0 HA PRO A 56 -7.801 11.737 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.466 13.018 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.604 13.341 -3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.184 14.944 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.203 15.510 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.481 15.597 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.478 15.375 -2.990 1.00 0.00 H new ATOM 782 N VAL A 57 -6.023 11.248 -5.566 1.00 0.00 N ATOM 783 CA VAL A 57 -5.439 10.596 -6.732 1.00 0.00 C ATOM 784 C VAL A 57 -5.072 9.148 -6.424 1.00 0.00 C ATOM 785 O VAL A 57 -4.121 8.606 -6.988 1.00 0.00 O ATOM 786 CB VAL A 57 -4.182 11.339 -7.221 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.548 12.716 -7.752 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.156 11.446 -6.102 1.00 0.00 C ATOM 0 H VAL A 57 -5.494 11.122 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.193 10.619 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.738 10.767 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.647 13.226 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.243 12.612 -8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.017 13.299 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.275 11.974 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.587 11.994 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.871 10.447 -5.773 1.00 0.00 H new ATOM 798 N GLY A 58 -5.831 8.528 -5.526 1.00 0.00 N ATOM 799 CA GLY A 58 -5.569 7.149 -5.160 1.00 0.00 C ATOM 800 C GLY A 58 -6.296 6.164 -6.053 1.00 0.00 C ATOM 801 O GLY A 58 -6.202 6.240 -7.278 1.00 0.00 O ATOM 0 H GLY A 58 -6.622 8.956 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.497 6.960 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.871 6.987 -4.125 1.00 0.00 H new ATOM 805 N LYS A 59 -7.022 5.236 -5.439 1.00 0.00 N ATOM 806 CA LYS A 59 -7.769 4.230 -6.186 1.00 0.00 C ATOM 807 C LYS A 59 -9.081 3.894 -5.486 1.00 0.00 C ATOM 808 O LYS A 59 -10.158 4.029 -6.067 1.00 0.00 O ATOM 809 CB LYS A 59 -6.928 2.963 -6.356 1.00 0.00 C ATOM 810 CG LYS A 59 -5.630 3.190 -7.115 1.00 0.00 C ATOM 811 CD LYS A 59 -5.293 2.006 -8.007 1.00 0.00 C ATOM 812 CE LYS A 59 -3.928 2.169 -8.656 1.00 0.00 C ATOM 813 NZ LYS A 59 -3.945 1.776 -10.092 1.00 0.00 N ATOM 0 H LYS A 59 -7.109 5.159 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.999 4.640 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.697 2.556 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.519 2.212 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.715 4.092 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.818 3.357 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.310 1.089 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.055 1.903 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.606 3.206 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.197 1.561 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.996 1.902 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.228 0.779 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.623 2.373 -10.607 1.00 0.00 H new ATOM 827 N ASN A 60 -8.983 3.457 -4.235 1.00 0.00 N ATOM 828 CA ASN A 60 -10.163 3.102 -3.454 1.00 0.00 C ATOM 829 C ASN A 60 -10.412 4.124 -2.351 1.00 0.00 C ATOM 830 O ASN A 60 -9.701 5.123 -2.244 1.00 0.00 O ATOM 831 CB ASN A 60 -9.997 1.708 -2.847 1.00 0.00 C ATOM 832 CG ASN A 60 -9.698 0.653 -3.894 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.605 0.135 -4.547 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.421 0.328 -4.060 1.00 0.00 N ATOM 0 H ASN A 60 -8.099 3.340 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.024 3.099 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.190 1.728 -2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.907 1.437 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.159 -0.376 -4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.702 0.782 -3.497 1.00 0.00 H new ATOM 841 N ASP A 61 -11.429 3.868 -1.533 1.00 0.00 N ATOM 842 CA ASP A 61 -11.773 4.767 -0.437 1.00 0.00 C ATOM 843 C ASP A 61 -11.684 4.048 0.906 1.00 0.00 C ATOM 844 O ASP A 61 -12.419 4.365 1.841 1.00 0.00 O ATOM 845 CB ASP A 61 -13.182 5.329 -0.634 1.00 0.00 C ATOM 846 CG ASP A 61 -14.240 4.244 -0.653 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.390 3.545 0.371 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.919 4.094 -1.690 1.00 0.00 O ATOM 0 H ASP A 61 -12.028 3.046 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.057 5.589 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.404 6.035 0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.220 5.886 -1.570 1.00 0.00 H new ATOM 853 N GLY A 62 -10.779 3.079 0.993 1.00 0.00 N ATOM 854 CA GLY A 62 -10.612 2.330 2.226 1.00 0.00 C ATOM 855 C GLY A 62 -11.429 1.050 2.254 1.00 0.00 C ATOM 856 O GLY A 62 -11.308 0.254 3.184 1.00 0.00 O ATOM 0 H GLY A 62 -10.159 2.799 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.558 2.085 2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.901 2.958 3.069 1.00 0.00 H new ATOM 860 N ALA A 63 -12.263 0.850 1.237 1.00 0.00 N ATOM 861 CA ALA A 63 -13.097 -0.342 1.157 1.00 0.00 C ATOM 862 C ALA A 63 -12.993 -0.995 -0.217 1.00 0.00 C ATOM 863 O ALA A 63 -13.186 -0.341 -1.242 1.00 0.00 O ATOM 864 CB ALA A 63 -14.544 0.006 1.471 1.00 0.00 C ATOM 0 H ALA A 63 -12.378 1.498 0.458 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.738 -1.057 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.156 -0.893 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.609 0.419 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.905 0.742 0.753 1.00 0.00 H new ATOM 870 N VAL A 64 -12.687 -2.288 -0.230 1.00 0.00 N ATOM 871 CA VAL A 64 -12.558 -3.030 -1.478 1.00 0.00 C ATOM 872 C VAL A 64 -13.253 -4.384 -1.388 1.00 0.00 C ATOM 873 O VAL A 64 -13.008 -5.157 -0.461 1.00 0.00 O ATOM 874 CB VAL A 64 -11.079 -3.249 -1.852 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.962 -3.849 -3.244 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.306 -1.942 -1.759 1.00 0.00 C ATOM 0 H VAL A 64 -12.524 -2.843 0.610 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.036 -2.430 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.644 -3.953 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.910 -3.996 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.479 -4.808 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.413 -3.173 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.264 -2.116 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.740 -1.213 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.360 -1.559 -0.740 1.00 0.00 H new ATOM 886 N GLY A 65 -14.121 -4.663 -2.353 1.00 0.00 N ATOM 887 CA GLY A 65 -14.839 -5.925 -2.363 1.00 0.00 C ATOM 888 C GLY A 65 -15.679 -6.122 -1.117 1.00 0.00 C ATOM 889 O GLY A 65 -15.731 -7.221 -0.564 1.00 0.00 O ATOM 0 H GLY A 65 -14.341 -4.039 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.482 -5.967 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.126 -6.745 -2.451 1.00 0.00 H new ATOM 893 N GLY A 66 -16.338 -5.056 -0.674 1.00 0.00 N ATOM 894 CA GLY A 66 -17.170 -5.139 0.512 1.00 0.00 C ATOM 895 C GLY A 66 -16.359 -5.365 1.774 1.00 0.00 C ATOM 896 O GLY A 66 -16.850 -5.954 2.737 1.00 0.00 O ATOM 0 H GLY A 66 -16.311 -4.137 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.746 -4.219 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.886 -5.952 0.394 1.00 0.00 H new ATOM 900 N VAL A 67 -15.115 -4.896 1.768 1.00 0.00 N ATOM 901 CA VAL A 67 -14.236 -5.050 2.919 1.00 0.00 C ATOM 902 C VAL A 67 -13.599 -3.720 3.306 1.00 0.00 C ATOM 903 O VAL A 67 -12.694 -3.234 2.629 1.00 0.00 O ATOM 904 CB VAL A 67 -13.121 -6.078 2.642 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.338 -6.373 3.911 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.707 -7.354 2.058 1.00 0.00 C ATOM 0 H VAL A 67 -14.694 -4.406 0.978 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.854 -5.408 3.742 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.433 -5.653 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.556 -7.101 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.886 -5.453 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.010 -6.777 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.906 -8.069 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.418 -7.784 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.218 -7.125 1.123 1.00 0.00 H new ATOM 916 N ARG A 68 -14.079 -3.136 4.400 1.00 0.00 N ATOM 917 CA ARG A 68 -13.557 -1.861 4.877 1.00 0.00 C ATOM 918 C ARG A 68 -12.287 -2.066 5.695 1.00 0.00 C ATOM 919 O ARG A 68 -12.261 -2.864 6.633 1.00 0.00 O ATOM 920 CB ARG A 68 -14.611 -1.139 5.718 1.00 0.00 C ATOM 921 CG ARG A 68 -14.659 0.362 5.476 1.00 0.00 C ATOM 922 CD ARG A 68 -15.584 1.056 6.461 1.00 0.00 C ATOM 923 NE ARG A 68 -16.986 0.956 6.060 1.00 0.00 N ATOM 924 CZ ARG A 68 -18.010 1.158 6.885 1.00 0.00 C ATOM 925 NH1 ARG A 68 -17.794 1.470 8.157 1.00 0.00 N ATOM 926 NH2 ARG A 68 -19.253 1.049 6.439 1.00 0.00 N ATOM 0 H ARG A 68 -14.828 -3.526 4.972 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.312 -1.248 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.591 -1.565 5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.410 -1.322 6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.655 0.778 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.997 0.557 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.457 0.615 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.304 2.106 6.543 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.192 0.717 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.839 1.556 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.583 1.624 8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.425 0.810 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -20.037 1.204 7.072 1.00 0.00 H new ATOM 940 N TYR A 69 -11.233 -1.340 5.335 1.00 0.00 N ATOM 941 CA TYR A 69 -9.958 -1.442 6.036 1.00 0.00 C ATOM 942 C TYR A 69 -9.759 -0.258 6.976 1.00 0.00 C ATOM 943 O TYR A 69 -9.374 -0.429 8.133 1.00 0.00 O ATOM 944 CB TYR A 69 -8.804 -1.512 5.033 1.00 0.00 C ATOM 945 CG TYR A 69 -8.916 -2.664 4.059 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.911 -2.686 3.090 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.025 -3.729 4.110 1.00 0.00 C ATOM 948 CE1 TYR A 69 -10.016 -3.737 2.199 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.123 -4.783 3.221 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.120 -4.783 2.269 1.00 0.00 C ATOM 951 OH TYR A 69 -9.221 -5.831 1.383 1.00 0.00 O ATOM 0 H TYR A 69 -11.237 -0.675 4.562 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.970 -2.356 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.763 -0.577 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.864 -1.599 5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.614 -1.868 3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.244 -3.733 4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.796 -3.739 1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.422 -5.603 3.272 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.598 -5.509 0.538 1.00 0.00 H new ATOM 961 N PHE A 70 -10.022 0.943 6.472 1.00 0.00 N ATOM 962 CA PHE A 70 -9.871 2.156 7.268 1.00 0.00 C ATOM 963 C PHE A 70 -10.893 3.211 6.852 1.00 0.00 C ATOM 964 O PHE A 70 -11.370 3.212 5.717 1.00 0.00 O ATOM 965 CB PHE A 70 -8.455 2.714 7.121 1.00 0.00 C ATOM 966 CG PHE A 70 -7.989 2.800 5.695 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.215 3.944 4.946 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.324 1.738 5.104 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.788 4.026 3.635 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.895 1.813 3.794 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.127 2.959 3.057 1.00 0.00 C ATOM 0 H PHE A 70 -10.341 1.103 5.516 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.046 1.900 8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.416 3.707 7.568 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.765 2.085 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.731 4.781 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.139 0.840 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.971 4.923 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.379 0.977 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.793 3.020 2.032 1.00 0.00 H new ATOM 981 N GLU A 71 -11.223 4.105 7.778 1.00 0.00 N ATOM 982 CA GLU A 71 -12.187 5.164 7.506 1.00 0.00 C ATOM 983 C GLU A 71 -11.490 6.415 6.981 1.00 0.00 C ATOM 984 O GLU A 71 -10.963 7.215 7.755 1.00 0.00 O ATOM 985 CB GLU A 71 -12.977 5.501 8.773 1.00 0.00 C ATOM 986 CG GLU A 71 -14.197 6.369 8.517 1.00 0.00 C ATOM 987 CD GLU A 71 -14.385 7.438 9.576 1.00 0.00 C ATOM 988 OE1 GLU A 71 -13.371 7.894 10.145 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.546 7.817 9.837 1.00 0.00 O ATOM 0 H GLU A 71 -10.837 4.117 8.722 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.875 4.805 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.295 4.574 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.319 6.012 9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.102 6.843 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.086 5.739 8.481 1.00 0.00 H new ATOM 996 N CYS A 72 -11.492 6.577 5.662 1.00 0.00 N ATOM 997 CA CYS A 72 -10.859 7.731 5.034 1.00 0.00 C ATOM 998 C CYS A 72 -11.665 8.203 3.826 1.00 0.00 C ATOM 999 O CYS A 72 -12.500 7.467 3.300 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.432 7.387 4.607 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.220 7.468 5.947 1.00 0.00 S ATOM 0 H CYS A 72 -11.924 5.925 5.008 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.827 8.539 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.423 6.383 4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.127 8.070 3.814 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.835 7.425 7.092 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.422 9.443 3.366 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.129 10.011 2.214 1.00 0.00 C ATOM 1009 C PRO A 73 -12.078 9.095 0.996 1.00 0.00 C ATOM 1010 O PRO A 73 -11.512 8.002 1.051 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.372 11.311 1.937 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.767 11.684 3.245 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.441 10.387 3.934 1.00 0.00 C ATOM 0 HA PRO A 73 -13.190 10.156 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.607 11.169 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.043 12.090 1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.870 12.287 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.460 12.279 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.417 10.072 3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.543 10.470 5.016 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.672 9.547 -0.103 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.694 8.768 -1.336 1.00 0.00 C ATOM 1023 C ALA A 74 -11.521 9.136 -2.239 1.00 0.00 C ATOM 1024 O ALA A 74 -10.989 10.244 -2.162 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.011 8.976 -2.068 1.00 0.00 C ATOM 0 H ALA A 74 -13.145 10.449 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.600 7.714 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.014 8.389 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.836 8.657 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.129 10.032 -2.312 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.122 8.199 -3.092 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.011 8.425 -4.010 1.00 0.00 C ATOM 1033 C LEU A 75 -8.726 8.734 -3.247 1.00 0.00 C ATOM 1034 O LEU A 75 -7.852 9.443 -3.744 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.338 9.575 -4.966 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.623 9.398 -5.776 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.978 10.686 -6.501 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.475 8.249 -6.763 1.00 0.00 C ATOM 0 H LEU A 75 -11.551 7.276 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.859 7.513 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.414 10.496 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.505 9.700 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.435 9.158 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.895 10.541 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.126 11.484 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.168 10.958 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.398 8.136 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.652 8.460 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.269 7.327 -6.220 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.620 8.197 -2.035 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.441 8.416 -1.203 1.00 0.00 C ATOM 1052 C GLN A 76 -6.878 7.094 -0.697 1.00 0.00 C ATOM 1053 O GLN A 76 -5.665 6.882 -0.694 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.787 9.324 -0.022 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.892 10.794 -0.394 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.916 11.702 0.819 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.823 12.519 0.979 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.917 11.564 1.682 1.00 0.00 N ATOM 0 H GLN A 76 -9.335 7.608 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.680 8.901 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.733 8.999 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.027 9.207 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.049 11.065 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.797 10.953 -0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.186 10.874 1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.880 12.148 2.517 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.768 6.207 -0.268 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.344 4.914 0.236 1.00 0.00 C ATOM 1069 C GLY A 77 -6.745 4.037 -0.846 1.00 0.00 C ATOM 1070 O GLY A 77 -7.422 3.168 -1.395 1.00 0.00 O ATOM 0 H GLY A 77 -8.776 6.360 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.610 5.060 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.198 4.404 0.682 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.472 4.265 -1.153 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.783 3.488 -2.175 1.00 0.00 C ATOM 1076 C ILE A 78 -4.075 2.282 -1.564 1.00 0.00 C ATOM 1077 O ILE A 78 -3.415 2.395 -0.531 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.754 4.350 -2.935 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.116 3.544 -4.069 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.688 4.872 -1.983 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.268 4.382 -5.002 1.00 0.00 C ATOM 0 H ILE A 78 -4.898 4.981 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.541 3.140 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.272 5.205 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.499 2.754 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.903 3.057 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.971 5.478 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.157 5.481 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.171 4.032 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.847 3.746 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.885 5.155 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.460 4.849 -4.439 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.220 1.128 -2.207 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.596 -0.099 -1.726 1.00 0.00 C ATOM 1095 C PHE A 79 -2.445 -0.517 -2.636 1.00 0.00 C ATOM 1096 O PHE A 79 -2.617 -0.658 -3.847 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.630 -1.222 -1.644 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.517 -1.134 -0.435 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.580 -0.247 -0.402 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.287 -1.940 0.670 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.397 -0.163 0.709 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.101 -1.861 1.783 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.158 -0.972 1.803 1.00 0.00 C ATOM 0 H PHE A 79 -4.764 1.017 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.197 0.092 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.249 -1.201 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.113 -2.181 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.773 0.387 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.462 -2.637 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.222 0.534 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.911 -2.494 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.796 -0.910 2.672 1.00 0.00 H new ATOM 1113 N THR A 80 -1.272 -0.716 -2.043 1.00 0.00 N ATOM 1114 CA THR A 80 -0.092 -1.120 -2.799 1.00 0.00 C ATOM 1115 C THR A 80 0.821 -1.999 -1.950 1.00 0.00 C ATOM 1116 O THR A 80 0.561 -2.222 -0.768 1.00 0.00 O ATOM 1117 CB THR A 80 0.674 0.110 -3.287 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.885 -0.270 -3.915 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.016 1.080 -2.177 1.00 0.00 C ATOM 0 H THR A 80 -1.113 -0.604 -1.042 1.00 0.00 H new ATOM 0 HA THR A 80 -0.424 -1.697 -3.662 1.00 0.00 H new ATOM 0 HB THR A 80 0.005 0.608 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.360 0.531 -4.222 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.559 1.930 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.098 1.431 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.638 0.579 -1.435 1.00 0.00 H new ATOM 1127 N ARG A 81 1.892 -2.495 -2.560 1.00 0.00 N ATOM 1128 CA ARG A 81 2.843 -3.349 -1.859 1.00 0.00 C ATOM 1129 C ARG A 81 3.747 -2.524 -0.946 1.00 0.00 C ATOM 1130 O ARG A 81 4.153 -1.416 -1.300 1.00 0.00 O ATOM 1131 CB ARG A 81 3.692 -4.133 -2.862 1.00 0.00 C ATOM 1132 CG ARG A 81 2.874 -4.845 -3.927 1.00 0.00 C ATOM 1133 CD ARG A 81 3.731 -5.226 -5.124 1.00 0.00 C ATOM 1134 NE ARG A 81 2.956 -5.265 -6.362 1.00 0.00 N ATOM 1135 CZ ARG A 81 3.355 -5.891 -7.466 1.00 0.00 C ATOM 1136 NH1 ARG A 81 4.517 -6.533 -7.491 1.00 0.00 N ATOM 1137 NH2 ARG A 81 2.589 -5.878 -8.549 1.00 0.00 N ATOM 0 H ARG A 81 2.123 -2.320 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 81 2.278 -4.050 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.389 -3.450 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.290 -4.868 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.422 -5.741 -3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.058 -4.200 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.546 -4.510 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.184 -6.202 -4.949 1.00 0.00 H new ATOM 0 HE ARG A 81 2.057 -4.784 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.109 -6.548 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.817 -7.011 -8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.694 -5.388 -8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.895 -6.358 -9.396 1.00 0.00 H new ATOM 1151 N PRO A 82 4.078 -3.051 0.247 1.00 0.00 N ATOM 1152 CA PRO A 82 4.940 -2.351 1.205 1.00 0.00 C ATOM 1153 C PRO A 82 6.253 -1.899 0.578 1.00 0.00 C ATOM 1154 O PRO A 82 6.697 -0.770 0.788 1.00 0.00 O ATOM 1155 CB PRO A 82 5.198 -3.401 2.288 1.00 0.00 C ATOM 1156 CG PRO A 82 4.036 -4.329 2.203 1.00 0.00 C ATOM 1157 CD PRO A 82 3.641 -4.366 0.753 1.00 0.00 C ATOM 0 HA PRO A 82 4.475 -1.440 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.137 -3.926 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.267 -2.943 3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.304 -5.323 2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.211 -3.979 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.131 -5.183 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.567 -4.506 0.632 1.00 0.00 H new ATOM 1165 N SER A 83 6.871 -2.788 -0.192 1.00 0.00 N ATOM 1166 CA SER A 83 8.135 -2.482 -0.851 1.00 0.00 C ATOM 1167 C SER A 83 7.985 -1.298 -1.801 1.00 0.00 C ATOM 1168 O SER A 83 8.915 -0.512 -1.981 1.00 0.00 O ATOM 1169 CB SER A 83 8.644 -3.704 -1.618 1.00 0.00 C ATOM 1170 OG SER A 83 9.841 -3.407 -2.317 1.00 0.00 O ATOM 0 H SER A 83 6.517 -3.727 -0.375 1.00 0.00 H new ATOM 0 HA SER A 83 8.859 -2.216 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.819 -4.526 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.882 -4.039 -2.322 1.00 0.00 H new ATOM 0 HG SER A 83 10.146 -4.205 -2.797 1.00 0.00 H new ATOM 1176 N LYS A 84 6.809 -1.178 -2.409 1.00 0.00 N ATOM 1177 CA LYS A 84 6.538 -0.089 -3.342 1.00 0.00 C ATOM 1178 C LYS A 84 6.594 1.262 -2.634 1.00 0.00 C ATOM 1179 O LYS A 84 6.936 2.277 -3.240 1.00 0.00 O ATOM 1180 CB LYS A 84 5.169 -0.278 -3.998 1.00 0.00 C ATOM 1181 CG LYS A 84 5.069 -1.538 -4.842 1.00 0.00 C ATOM 1182 CD LYS A 84 5.296 -1.241 -6.316 1.00 0.00 C ATOM 1183 CE LYS A 84 6.133 -2.322 -6.982 1.00 0.00 C ATOM 1184 NZ LYS A 84 5.331 -3.138 -7.935 1.00 0.00 N ATOM 0 H LYS A 84 6.029 -1.821 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 84 7.308 -0.107 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.404 -0.309 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.953 0.587 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.804 -2.266 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.086 -1.990 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.335 -1.160 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.795 -0.277 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.967 -1.861 -7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.561 -2.972 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.867 -3.989 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.436 -3.418 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.129 -2.578 -8.787 1.00 0.00 H new ATOM 1198 N LEU A 85 6.256 1.266 -1.348 1.00 0.00 N ATOM 1199 CA LEU A 85 6.267 2.492 -0.560 1.00 0.00 C ATOM 1200 C LEU A 85 7.693 2.892 -0.195 1.00 0.00 C ATOM 1201 O LEU A 85 8.587 2.048 -0.127 1.00 0.00 O ATOM 1202 CB LEU A 85 5.433 2.315 0.710 1.00 0.00 C ATOM 1203 CG LEU A 85 4.070 1.654 0.503 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.537 1.104 1.817 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.085 2.645 -0.100 1.00 0.00 C ATOM 0 H LEU A 85 5.971 0.434 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 85 5.830 3.287 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.004 1.719 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.280 3.294 1.165 1.00 0.00 H new ATOM 0 HG LEU A 85 4.192 0.823 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.566 0.638 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.233 0.363 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.429 1.917 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.120 2.159 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.968 3.496 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.461 2.991 -1.063 1.00 0.00 H new ATOM 1217 N THR A 86 7.898 4.184 0.038 1.00 0.00 N ATOM 1218 CA THR A 86 9.215 4.697 0.396 1.00 0.00 C ATOM 1219 C THR A 86 9.102 5.796 1.448 1.00 0.00 C ATOM 1220 O THR A 86 8.002 6.176 1.848 1.00 0.00 O ATOM 1221 CB THR A 86 9.930 5.235 -0.845 1.00 0.00 C ATOM 1222 OG1 THR A 86 8.997 5.735 -1.784 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.775 4.192 -1.546 1.00 0.00 C ATOM 0 H THR A 86 7.169 4.895 -0.015 1.00 0.00 H new ATOM 0 HA THR A 86 9.797 3.876 0.815 1.00 0.00 H new ATOM 0 HB THR A 86 10.585 6.027 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.474 6.076 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.255 4.638 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.538 3.822 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.141 3.364 -1.865 1.00 0.00 H new ATOM 1231 N ARG A 87 10.248 6.302 1.893 1.00 0.00 N ATOM 1232 CA ARG A 87 10.278 7.358 2.898 1.00 0.00 C ATOM 1233 C ARG A 87 10.761 8.675 2.295 1.00 0.00 C ATOM 1234 O ARG A 87 11.270 9.543 3.005 1.00 0.00 O ATOM 1235 CB ARG A 87 11.185 6.953 4.063 1.00 0.00 C ATOM 1236 CG ARG A 87 10.587 7.250 5.431 1.00 0.00 C ATOM 1237 CD ARG A 87 11.438 8.236 6.218 1.00 0.00 C ATOM 1238 NE ARG A 87 11.735 7.751 7.564 1.00 0.00 N ATOM 1239 CZ ARG A 87 10.856 7.757 8.564 1.00 0.00 C ATOM 1240 NH1 ARG A 87 9.628 8.223 8.375 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.208 7.297 9.757 1.00 0.00 N ATOM 0 H ARG A 87 11.168 5.998 1.573 1.00 0.00 H new ATOM 0 HA ARG A 87 9.263 7.502 3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.399 5.886 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.137 7.476 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.582 7.654 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.491 6.322 5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.371 8.417 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.918 9.192 6.284 1.00 0.00 H new ATOM 0 HE ARG A 87 12.670 7.387 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.353 8.579 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.959 8.225 9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.151 6.939 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.536 7.301 10.524 1.00 0.00 H new ATOM 1255 N GLN A 88 10.598 8.819 0.982 1.00 0.00 N ATOM 1256 CA GLN A 88 11.018 10.032 0.288 1.00 0.00 C ATOM 1257 C GLN A 88 10.742 9.923 -1.210 1.00 0.00 C ATOM 1258 O GLN A 88 10.663 8.823 -1.757 1.00 0.00 O ATOM 1259 CB GLN A 88 12.507 10.294 0.523 1.00 0.00 C ATOM 1260 CG GLN A 88 13.392 9.098 0.213 1.00 0.00 C ATOM 1261 CD GLN A 88 14.825 9.299 0.668 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.584 10.048 0.054 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.201 8.628 1.750 1.00 0.00 N ATOM 0 H GLN A 88 10.179 8.111 0.379 1.00 0.00 H new ATOM 0 HA GLN A 88 10.442 10.866 0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.821 11.137 -0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.656 10.586 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.982 8.212 0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.379 8.909 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.538 8.018 2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.153 8.723 2.104 1.00 0.00 H new ATOM 1272 N PRO A 89 10.592 11.069 -1.896 1.00 0.00 N ATOM 1273 CA PRO A 89 10.325 11.096 -3.338 1.00 0.00 C ATOM 1274 C PRO A 89 11.524 10.631 -4.156 1.00 0.00 C ATOM 1275 O PRO A 89 12.668 10.727 -3.710 1.00 0.00 O ATOM 1276 CB PRO A 89 10.026 12.571 -3.618 1.00 0.00 C ATOM 1277 CG PRO A 89 10.728 13.313 -2.534 1.00 0.00 C ATOM 1278 CD PRO A 89 10.672 12.426 -1.322 1.00 0.00 C ATOM 0 HA PRO A 89 9.513 10.424 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.390 12.869 -4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.954 12.767 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.760 13.528 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.244 14.270 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.556 12.546 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.806 12.651 -0.699 1.00 0.00 H new ATOM 1286 N SER A 90 11.256 10.125 -5.356 1.00 0.00 N ATOM 1287 CA SER A 90 12.315 9.643 -6.237 1.00 0.00 C ATOM 1288 C SER A 90 12.460 10.546 -7.457 1.00 0.00 C ATOM 1289 O SER A 90 13.398 11.339 -7.547 1.00 0.00 O ATOM 1290 CB SER A 90 12.023 8.208 -6.680 1.00 0.00 C ATOM 1291 OG SER A 90 10.655 8.044 -7.009 1.00 0.00 O ATOM 0 H SER A 90 10.315 10.038 -5.741 1.00 0.00 H new ATOM 0 HA SER A 90 13.253 9.661 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.640 7.958 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.294 7.516 -5.883 1.00 0.00 H new ATOM 0 HG SER A 90 10.524 7.173 -7.439 1.00 0.00 H new ATOM 1297 N GLY A 91 11.528 10.421 -8.396 1.00 0.00 N ATOM 1298 CA GLY A 91 11.572 11.231 -9.600 1.00 0.00 C ATOM 1299 C GLY A 91 12.323 10.551 -10.729 1.00 0.00 C ATOM 1300 O GLY A 91 13.212 9.735 -10.482 1.00 0.00 O ATOM 0 H GLY A 91 10.742 9.773 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.555 11.450 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.047 12.186 -9.375 1.00 0.00 H new ATOM 1304 N PRO A 92 11.986 10.868 -11.991 1.00 0.00 N ATOM 1305 CA PRO A 92 12.646 10.273 -13.158 1.00 0.00 C ATOM 1306 C PRO A 92 14.165 10.392 -13.088 1.00 0.00 C ATOM 1307 O PRO A 92 14.696 11.372 -12.567 1.00 0.00 O ATOM 1308 CB PRO A 92 12.098 11.089 -14.331 1.00 0.00 C ATOM 1309 CG PRO A 92 10.783 11.600 -13.856 1.00 0.00 C ATOM 1310 CD PRO A 92 10.938 11.831 -12.379 1.00 0.00 C ATOM 0 HA PRO A 92 12.449 9.204 -13.237 1.00 0.00 H new ATOM 0 HB2 PRO A 92 12.770 11.907 -14.592 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.984 10.473 -15.223 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.515 12.523 -14.369 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.989 10.881 -14.057 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.235 12.857 -12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.006 11.648 -11.844 1.00 0.00 H new ATOM 1318 N SER A 93 14.856 9.388 -13.616 1.00 0.00 N ATOM 1319 CA SER A 93 16.315 9.380 -13.614 1.00 0.00 C ATOM 1320 C SER A 93 16.860 9.057 -15.002 1.00 0.00 C ATOM 1321 O SER A 93 16.655 7.959 -15.520 1.00 0.00 O ATOM 1322 CB SER A 93 16.838 8.363 -12.598 1.00 0.00 C ATOM 1323 OG SER A 93 16.307 8.610 -11.309 1.00 0.00 O ATOM 0 H SER A 93 14.430 8.569 -14.051 1.00 0.00 H new ATOM 0 HA SER A 93 16.659 10.375 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.572 7.355 -12.917 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.926 8.408 -12.561 1.00 0.00 H new ATOM 0 HG SER A 93 16.655 7.945 -10.679 1.00 0.00 H new ATOM 1329 N SER A 94 17.553 10.021 -15.598 1.00 0.00 N ATOM 1330 CA SER A 94 18.128 9.841 -16.926 1.00 0.00 C ATOM 1331 C SER A 94 19.589 10.279 -16.951 1.00 0.00 C ATOM 1332 O SER A 94 19.896 11.436 -17.236 1.00 0.00 O ATOM 1333 CB SER A 94 17.325 10.629 -17.964 1.00 0.00 C ATOM 1334 OG SER A 94 16.552 9.763 -18.777 1.00 0.00 O ATOM 0 H SER A 94 17.730 10.935 -15.182 1.00 0.00 H new ATOM 0 HA SER A 94 18.083 8.780 -17.174 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.670 11.339 -17.459 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.004 11.210 -18.589 1.00 0.00 H new ATOM 0 HG SER A 94 16.047 10.291 -19.430 1.00 0.00 H new ATOM 1340 N GLY A 95 20.487 9.346 -16.648 1.00 0.00 N ATOM 1341 CA GLY A 95 21.904 9.656 -16.642 1.00 0.00 C ATOM 1342 C GLY A 95 22.761 8.464 -17.021 1.00 0.00 C ATOM 1343 O GLY A 95 23.257 8.431 -18.167 1.00 0.00 O ATOM 1344 OXT GLY A 95 22.935 7.565 -16.173 1.00 0.00 O ATOM 0 H GLY A 95 20.258 8.382 -16.407 1.00 0.00 H new ATOM 0 HA2 GLY A 95 22.097 10.473 -17.337 1.00 0.00 H new ATOM 0 HA3 GLY A 95 22.192 10.006 -15.651 1.00 0.00 H new TER 1348 GLY A 95