USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 151:sc= 0.237 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.4!) USER MOD Single : A 19 TYR OH : rot 90:sc= -3.98! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -115:sc= 0.963 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.0074) USER MOD Single : A 30 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.26!) USER MOD Single : A 31 THR OG1 : rot -105:sc= 0.456 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -79:sc= 0.306 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 10:sc= 0.932 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.435 K(o=-0.43,f=-2) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 84 GLN : amide:sc= -0.642 K(o=-0.64,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 145:sc= 0.0886 USER MOD Single : A 95 SER OG : rot -67:sc= 0.746 USER MOD Single : A 104 HIS : no HD1:sc= 0.215 K(o=0.21,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 3.590 -3.862 -5.628 1.00 0.00 N ATOM 32 CA LEU A 9 4.651 -4.088 -6.594 1.00 0.00 C ATOM 33 C LEU A 9 4.420 -3.197 -7.816 1.00 0.00 C ATOM 34 O LEU A 9 5.373 -2.724 -8.433 1.00 0.00 O ATOM 35 CB LEU A 9 4.762 -5.576 -6.930 1.00 0.00 C ATOM 36 CG LEU A 9 5.034 -6.511 -5.750 1.00 0.00 C ATOM 37 CD1 LEU A 9 5.717 -7.799 -6.216 1.00 0.00 C ATOM 38 CD2 LEU A 9 5.838 -5.799 -4.659 1.00 0.00 C ATOM 0 HA LEU A 9 5.616 -3.808 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.835 -5.890 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.560 -5.705 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 9 4.077 -6.794 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.899 -8.446 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.074 -8.315 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.666 -7.555 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.017 -6.486 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.792 -5.467 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.278 -4.936 -4.299 1.00 0.00 H new ATOM 50 N THR A 10 3.149 -2.996 -8.130 1.00 0.00 N ATOM 51 CA THR A 10 2.780 -2.170 -9.268 1.00 0.00 C ATOM 52 C THR A 10 3.391 -0.774 -9.133 1.00 0.00 C ATOM 53 O THR A 10 4.221 -0.374 -9.948 1.00 0.00 O ATOM 54 CB THR A 10 1.254 -2.159 -9.369 1.00 0.00 C ATOM 55 OG1 THR A 10 0.941 -3.380 -10.035 1.00 0.00 O ATOM 56 CG2 THR A 10 0.738 -1.075 -10.318 1.00 0.00 C ATOM 0 H THR A 10 2.361 -3.391 -7.616 1.00 0.00 H new ATOM 0 HA THR A 10 3.178 -2.576 -10.198 1.00 0.00 H new ATOM 0 HB THR A 10 0.826 -2.008 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.030 -3.455 -10.141 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.351 -1.111 -10.353 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.058 -0.096 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.139 -1.245 -11.317 1.00 0.00 H new ATOM 64 N GLN A 11 2.955 -0.070 -8.099 1.00 0.00 N ATOM 65 CA GLN A 11 3.448 1.274 -7.847 1.00 0.00 C ATOM 66 C GLN A 11 4.970 1.259 -7.686 1.00 0.00 C ATOM 67 O GLN A 11 5.641 2.237 -8.011 1.00 0.00 O ATOM 68 CB GLN A 11 2.772 1.884 -6.618 1.00 0.00 C ATOM 69 CG GLN A 11 1.868 3.053 -7.013 1.00 0.00 C ATOM 70 CD GLN A 11 2.393 4.371 -6.439 1.00 0.00 C ATOM 71 OE1 GLN A 11 1.898 4.888 -5.451 1.00 0.00 O ATOM 72 NE2 GLN A 11 3.420 4.883 -7.111 1.00 0.00 N ATOM 0 H GLN A 11 2.266 -0.405 -7.426 1.00 0.00 H new ATOM 0 HA GLN A 11 3.199 1.899 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.184 1.122 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.530 2.228 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.811 3.122 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.856 2.873 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.786 4.398 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.842 5.760 -6.807 1.00 0.00 H new ATOM 81 N LEU A 12 5.469 0.139 -7.184 1.00 0.00 N ATOM 82 CA LEU A 12 6.899 -0.015 -6.976 1.00 0.00 C ATOM 83 C LEU A 12 7.638 0.331 -8.271 1.00 0.00 C ATOM 84 O LEU A 12 8.825 0.652 -8.244 1.00 0.00 O ATOM 85 CB LEU A 12 7.215 -1.414 -6.443 1.00 0.00 C ATOM 86 CG LEU A 12 8.255 -1.485 -5.323 1.00 0.00 C ATOM 87 CD1 LEU A 12 9.673 -1.366 -5.885 1.00 0.00 C ATOM 88 CD2 LEU A 12 7.975 -0.435 -4.246 1.00 0.00 C ATOM 0 H LEU A 12 4.909 -0.670 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 12 7.250 0.679 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.289 -1.861 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.562 -2.028 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 12 8.178 -2.462 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.394 -1.419 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.857 -2.181 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.781 -0.413 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.729 -0.508 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.008 0.560 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.988 -0.608 -3.817 1.00 0.00 H new ATOM 100 N SER A 13 6.906 0.253 -9.372 1.00 0.00 N ATOM 101 CA SER A 13 7.477 0.554 -10.673 1.00 0.00 C ATOM 102 C SER A 13 6.402 1.128 -11.597 1.00 0.00 C ATOM 103 O SER A 13 6.307 0.742 -12.761 1.00 0.00 O ATOM 104 CB SER A 13 8.105 -0.693 -11.301 1.00 0.00 C ATOM 105 OG SER A 13 9.245 -0.374 -12.094 1.00 0.00 O ATOM 0 H SER A 13 5.922 -0.014 -9.390 1.00 0.00 H new ATOM 0 HA SER A 13 8.264 1.296 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.394 -1.389 -10.514 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.364 -1.200 -11.919 1.00 0.00 H new ATOM 0 HG SER A 13 9.870 -1.129 -12.086 1.00 0.00 H new ATOM 111 N SER A 14 5.617 2.042 -11.044 1.00 0.00 N ATOM 112 CA SER A 14 4.552 2.673 -11.803 1.00 0.00 C ATOM 113 C SER A 14 3.867 1.641 -12.701 1.00 0.00 C ATOM 114 O SER A 14 3.345 1.984 -13.761 1.00 0.00 O ATOM 115 CB SER A 14 5.088 3.834 -12.643 1.00 0.00 C ATOM 116 OG SER A 14 4.494 5.077 -12.276 1.00 0.00 O ATOM 0 H SER A 14 5.698 2.360 -10.078 1.00 0.00 H new ATOM 0 HA SER A 14 3.823 3.075 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.169 3.899 -12.523 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.896 3.638 -13.698 1.00 0.00 H new ATOM 0 HG SER A 14 4.863 5.793 -12.834 1.00 0.00 H new ATOM 122 N GLY A 15 3.891 0.398 -12.244 1.00 0.00 N ATOM 123 CA GLY A 15 3.278 -0.687 -12.993 1.00 0.00 C ATOM 124 C GLY A 15 4.273 -1.302 -13.980 1.00 0.00 C ATOM 125 O GLY A 15 4.022 -1.328 -15.184 1.00 0.00 O ATOM 0 H GLY A 15 4.325 0.117 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.922 -1.453 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.407 -0.315 -13.533 1.00 0.00 H new ATOM 129 N ASN A 16 5.380 -1.781 -13.433 1.00 0.00 N ATOM 130 CA ASN A 16 6.414 -2.394 -14.250 1.00 0.00 C ATOM 131 C ASN A 16 6.870 -3.699 -13.594 1.00 0.00 C ATOM 132 O ASN A 16 7.600 -3.678 -12.605 1.00 0.00 O ATOM 133 CB ASN A 16 7.632 -1.477 -14.376 1.00 0.00 C ATOM 134 CG ASN A 16 8.309 -1.648 -15.738 1.00 0.00 C ATOM 135 OD1 ASN A 16 7.868 -2.404 -16.588 1.00 0.00 O ATOM 136 ND2 ASN A 16 9.400 -0.905 -15.897 1.00 0.00 N ATOM 0 H ASN A 16 5.584 -1.757 -12.434 1.00 0.00 H new ATOM 0 HA ASN A 16 5.997 -2.577 -15.240 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.325 -0.439 -14.246 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.344 -1.701 -13.581 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.923 -0.947 -16.772 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.714 -0.293 -15.144 1.00 0.00 H new ATOM 143 N PRO A 17 6.408 -4.832 -14.188 1.00 0.00 N ATOM 144 CA PRO A 17 6.761 -6.144 -13.672 1.00 0.00 C ATOM 145 C PRO A 17 8.204 -6.503 -14.029 1.00 0.00 C ATOM 146 O PRO A 17 8.691 -7.571 -13.660 1.00 0.00 O ATOM 147 CB PRO A 17 5.743 -7.093 -14.283 1.00 0.00 C ATOM 148 CG PRO A 17 5.152 -6.359 -15.476 1.00 0.00 C ATOM 149 CD PRO A 17 5.542 -4.894 -15.361 1.00 0.00 C ATOM 0 HA PRO A 17 6.727 -6.192 -12.584 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.215 -8.025 -14.593 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.968 -7.352 -13.561 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.526 -6.782 -16.408 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.067 -6.465 -15.491 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.062 -4.551 -16.256 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.664 -4.259 -15.239 1.00 0.00 H new ATOM 157 N VAL A 18 8.848 -5.592 -14.742 1.00 0.00 N ATOM 158 CA VAL A 18 10.227 -5.799 -15.153 1.00 0.00 C ATOM 159 C VAL A 18 11.053 -6.241 -13.944 1.00 0.00 C ATOM 160 O VAL A 18 12.055 -6.940 -14.094 1.00 0.00 O ATOM 161 CB VAL A 18 10.771 -4.534 -15.819 1.00 0.00 C ATOM 162 CG1 VAL A 18 10.848 -3.378 -14.820 1.00 0.00 C ATOM 163 CG2 VAL A 18 12.134 -4.795 -16.462 1.00 0.00 C ATOM 0 H VAL A 18 8.441 -4.708 -15.046 1.00 0.00 H new ATOM 0 HA VAL A 18 10.289 -6.593 -15.897 1.00 0.00 H new ATOM 0 HB VAL A 18 10.078 -4.248 -16.610 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.238 -2.491 -15.319 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.852 -3.167 -14.430 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.509 -3.651 -13.997 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.498 -3.879 -16.928 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.841 -5.119 -15.698 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.036 -5.573 -17.219 1.00 0.00 H new ATOM 173 N TYR A 19 10.604 -5.816 -12.773 1.00 0.00 N ATOM 174 CA TYR A 19 11.290 -6.159 -11.538 1.00 0.00 C ATOM 175 C TYR A 19 11.190 -7.659 -11.254 1.00 0.00 C ATOM 176 O TYR A 19 12.149 -8.271 -10.787 1.00 0.00 O ATOM 177 CB TYR A 19 10.568 -5.393 -10.428 1.00 0.00 C ATOM 178 CG TYR A 19 11.059 -3.955 -10.244 1.00 0.00 C ATOM 179 CD1 TYR A 19 11.082 -3.091 -11.319 1.00 0.00 C ATOM 180 CD2 TYR A 19 11.477 -3.523 -9.002 1.00 0.00 C ATOM 181 CE1 TYR A 19 11.544 -1.738 -11.146 1.00 0.00 C ATOM 182 CE2 TYR A 19 11.939 -2.170 -8.828 1.00 0.00 C ATOM 183 CZ TYR A 19 11.949 -1.344 -9.909 1.00 0.00 C ATOM 184 OH TYR A 19 12.385 -0.066 -9.745 1.00 0.00 O ATOM 0 H TYR A 19 9.773 -5.237 -12.652 1.00 0.00 H new ATOM 0 HA TYR A 19 12.348 -5.904 -11.603 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.500 -5.376 -10.647 1.00 0.00 H new ATOM 0 HB3 TYR A 19 10.692 -5.932 -9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.753 -3.429 -12.291 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.458 -4.199 -8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.568 -1.052 -11.980 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.270 -1.819 -7.862 1.00 0.00 H new ATOM 0 HH TYR A 19 11.628 0.510 -9.510 1.00 0.00 H new ATOM 194 N GLU A 20 10.021 -8.208 -11.549 1.00 0.00 N ATOM 195 CA GLU A 20 9.784 -9.625 -11.331 1.00 0.00 C ATOM 196 C GLU A 20 10.849 -10.458 -12.046 1.00 0.00 C ATOM 197 O GLU A 20 11.326 -11.456 -11.509 1.00 0.00 O ATOM 198 CB GLU A 20 8.379 -10.022 -11.789 1.00 0.00 C ATOM 199 CG GLU A 20 7.434 -10.171 -10.595 1.00 0.00 C ATOM 200 CD GLU A 20 7.152 -11.645 -10.299 1.00 0.00 C ATOM 201 OE1 GLU A 20 7.688 -12.529 -10.985 1.00 0.00 O ATOM 202 OE2 GLU A 20 6.344 -11.859 -9.316 1.00 0.00 O ATOM 0 H GLU A 20 9.228 -7.697 -11.937 1.00 0.00 H new ATOM 0 HA GLU A 20 9.853 -9.825 -10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.989 -9.269 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.424 -10.961 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.874 -9.698 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.498 -9.652 -10.801 1.00 0.00 H new ATOM 210 N LYS A 21 11.192 -10.017 -13.248 1.00 0.00 N ATOM 211 CA LYS A 21 12.192 -10.709 -14.042 1.00 0.00 C ATOM 212 C LYS A 21 13.469 -10.874 -13.215 1.00 0.00 C ATOM 213 O LYS A 21 14.068 -11.948 -13.201 1.00 0.00 O ATOM 214 CB LYS A 21 12.411 -9.989 -15.374 1.00 0.00 C ATOM 215 CG LYS A 21 13.861 -9.519 -15.511 1.00 0.00 C ATOM 216 CD LYS A 21 14.138 -9.000 -16.924 1.00 0.00 C ATOM 217 CE LYS A 21 15.613 -8.628 -17.092 1.00 0.00 C ATOM 218 NZ LYS A 21 15.984 -8.616 -18.524 1.00 0.00 N ATOM 0 H LYS A 21 10.795 -9.189 -13.691 1.00 0.00 H new ATOM 0 HA LYS A 21 11.847 -11.710 -14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.162 -10.658 -16.198 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.739 -9.133 -15.444 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.062 -8.732 -14.785 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.537 -10.343 -15.283 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.866 -9.761 -17.655 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.514 -8.129 -17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.799 -7.647 -16.654 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.238 -9.341 -16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.988 -8.362 -18.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.825 -9.559 -18.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.400 -7.918 -19.028 1.00 0.00 H new ATOM 229 N TYR A 22 13.847 -9.795 -12.547 1.00 0.00 N ATOM 230 CA TYR A 22 15.041 -9.807 -11.719 1.00 0.00 C ATOM 231 C TYR A 22 14.799 -10.575 -10.418 1.00 0.00 C ATOM 232 O TYR A 22 15.641 -11.365 -9.994 1.00 0.00 O ATOM 233 CB TYR A 22 15.338 -8.344 -11.386 1.00 0.00 C ATOM 234 CG TYR A 22 15.800 -7.513 -12.585 1.00 0.00 C ATOM 235 CD1 TYR A 22 17.026 -7.765 -13.167 1.00 0.00 C ATOM 236 CD2 TYR A 22 14.992 -6.513 -13.084 1.00 0.00 C ATOM 237 CE1 TYR A 22 17.461 -6.984 -14.296 1.00 0.00 C ATOM 238 CE2 TYR A 22 15.427 -5.731 -14.213 1.00 0.00 C ATOM 239 CZ TYR A 22 16.640 -6.006 -14.763 1.00 0.00 C ATOM 240 OH TYR A 22 17.051 -5.268 -15.829 1.00 0.00 O ATOM 0 H TYR A 22 13.347 -8.906 -12.562 1.00 0.00 H new ATOM 0 HA TYR A 22 15.865 -10.292 -12.242 1.00 0.00 H new ATOM 0 HB2 TYR A 22 14.441 -7.889 -10.966 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.106 -8.307 -10.614 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.659 -8.548 -12.776 1.00 0.00 H new ATOM 0 HD2 TYR A 22 14.033 -6.316 -12.628 1.00 0.00 H new ATOM 0 HE1 TYR A 22 18.418 -7.171 -14.761 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.804 -4.945 -14.613 1.00 0.00 H new ATOM 0 HH TYR A 22 17.180 -4.337 -15.552 1.00 0.00 H new ATOM 250 N TYR A 23 13.645 -10.316 -9.822 1.00 0.00 N ATOM 251 CA TYR A 23 13.281 -10.973 -8.578 1.00 0.00 C ATOM 252 C TYR A 23 13.363 -12.495 -8.717 1.00 0.00 C ATOM 253 O TYR A 23 13.574 -13.201 -7.733 1.00 0.00 O ATOM 254 CB TYR A 23 11.831 -10.575 -8.299 1.00 0.00 C ATOM 255 CG TYR A 23 11.190 -11.334 -7.135 1.00 0.00 C ATOM 256 CD1 TYR A 23 11.774 -11.301 -5.885 1.00 0.00 C ATOM 257 CD2 TYR A 23 10.029 -12.052 -7.336 1.00 0.00 C ATOM 258 CE1 TYR A 23 11.171 -12.016 -4.789 1.00 0.00 C ATOM 259 CE2 TYR A 23 9.426 -12.767 -6.240 1.00 0.00 C ATOM 260 CZ TYR A 23 10.026 -12.713 -5.021 1.00 0.00 C ATOM 261 OH TYR A 23 9.457 -13.388 -3.987 1.00 0.00 O ATOM 0 H TYR A 23 12.949 -9.660 -10.177 1.00 0.00 H new ATOM 0 HA TYR A 23 13.957 -10.677 -7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.793 -9.506 -8.088 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.239 -10.743 -9.199 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.683 -10.739 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.572 -12.078 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.618 -11.999 -3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.518 -13.333 -6.384 1.00 0.00 H new ATOM 0 HH TYR A 23 8.645 -13.839 -4.298 1.00 0.00 H new ATOM 271 N ARG A 24 13.191 -12.954 -9.948 1.00 0.00 N ATOM 272 CA ARG A 24 13.242 -14.378 -10.229 1.00 0.00 C ATOM 273 C ARG A 24 14.672 -14.800 -10.574 1.00 0.00 C ATOM 274 O ARG A 24 15.027 -15.970 -10.438 1.00 0.00 O ATOM 275 CB ARG A 24 12.315 -14.744 -11.390 1.00 0.00 C ATOM 276 CG ARG A 24 12.056 -16.252 -11.431 1.00 0.00 C ATOM 277 CD ARG A 24 10.632 -16.575 -10.972 1.00 0.00 C ATOM 278 NE ARG A 24 9.652 -15.977 -11.906 1.00 0.00 N ATOM 279 CZ ARG A 24 9.344 -16.494 -13.114 1.00 0.00 C ATOM 280 NH1 ARG A 24 9.939 -17.626 -13.547 1.00 0.00 N ATOM 281 NH2 ARG A 24 8.453 -15.876 -13.867 1.00 0.00 N ATOM 0 H ARG A 24 13.016 -12.365 -10.762 1.00 0.00 H new ATOM 0 HA ARG A 24 12.910 -14.905 -9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.369 -14.212 -11.287 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.761 -14.422 -12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.209 -16.624 -12.444 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.774 -16.766 -10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.492 -17.655 -10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.469 -16.190 -9.965 1.00 0.00 H new ATOM 0 HE ARG A 24 9.180 -15.120 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.627 -18.097 -12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.700 -18.010 -14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.009 -15.021 -13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.209 -16.254 -14.783 1.00 0.00 H new ATOM 294 N GLN A 25 15.453 -13.825 -11.014 1.00 0.00 N ATOM 295 CA GLN A 25 16.836 -14.080 -11.379 1.00 0.00 C ATOM 296 C GLN A 25 17.626 -14.565 -10.161 1.00 0.00 C ATOM 297 O GLN A 25 18.434 -15.486 -10.268 1.00 0.00 O ATOM 298 CB GLN A 25 17.481 -12.835 -11.990 1.00 0.00 C ATOM 299 CG GLN A 25 17.452 -12.896 -13.519 1.00 0.00 C ATOM 300 CD GLN A 25 18.869 -12.918 -14.094 1.00 0.00 C ATOM 301 OE1 GLN A 25 19.246 -13.795 -14.853 1.00 0.00 O ATOM 302 NE2 GLN A 25 19.632 -11.905 -13.690 1.00 0.00 N ATOM 0 H GLN A 25 15.154 -12.856 -11.126 1.00 0.00 H new ATOM 0 HA GLN A 25 16.852 -14.865 -12.135 1.00 0.00 H new ATOM 0 HB2 GLN A 25 16.955 -11.944 -11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 25 18.512 -12.749 -11.645 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.911 -13.786 -13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.910 -12.035 -13.911 1.00 0.00 H new ATOM 0 HE21 GLN A 25 19.254 -11.204 -13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 25 20.595 -11.830 -14.017 1.00 0.00 H new ATOM 311 N VAL A 26 17.364 -13.923 -9.032 1.00 0.00 N ATOM 312 CA VAL A 26 18.040 -14.277 -7.796 1.00 0.00 C ATOM 313 C VAL A 26 17.447 -15.577 -7.250 1.00 0.00 C ATOM 314 O VAL A 26 18.181 -16.473 -6.837 1.00 0.00 O ATOM 315 CB VAL A 26 17.955 -13.117 -6.802 1.00 0.00 C ATOM 316 CG1 VAL A 26 17.943 -11.771 -7.530 1.00 0.00 C ATOM 317 CG2 VAL A 26 16.731 -13.261 -5.895 1.00 0.00 C ATOM 0 H VAL A 26 16.693 -13.160 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 26 19.100 -14.454 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 26 18.844 -13.149 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.882 -10.963 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.858 -11.665 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.081 -11.725 -8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.694 -12.424 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.826 -13.267 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.799 -14.195 -5.337 1.00 0.00 H new ATOM 327 N GLU A 27 16.124 -15.639 -7.265 1.00 0.00 N ATOM 328 CA GLU A 27 15.423 -16.814 -6.777 1.00 0.00 C ATOM 329 C GLU A 27 16.111 -18.087 -7.274 1.00 0.00 C ATOM 330 O GLU A 27 16.131 -18.358 -8.474 1.00 0.00 O ATOM 331 CB GLU A 27 13.951 -16.788 -7.193 1.00 0.00 C ATOM 332 CG GLU A 27 13.236 -18.069 -6.758 1.00 0.00 C ATOM 333 CD GLU A 27 11.951 -18.279 -7.562 1.00 0.00 C ATOM 334 OE1 GLU A 27 10.864 -17.894 -7.105 1.00 0.00 O ATOM 335 OE2 GLU A 27 12.110 -18.865 -8.700 1.00 0.00 O ATOM 0 H GLU A 27 15.518 -14.893 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 27 15.458 -16.807 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.459 -15.923 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.877 -16.675 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.898 -18.924 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.000 -18.015 -5.695 1.00 0.00 H new ATOM 343 N ALA A 28 16.659 -18.835 -6.327 1.00 0.00 N ATOM 344 CA ALA A 28 17.346 -20.072 -6.654 1.00 0.00 C ATOM 345 C ALA A 28 16.410 -20.971 -7.465 1.00 0.00 C ATOM 346 O ALA A 28 15.190 -20.859 -7.359 1.00 0.00 O ATOM 347 CB ALA A 28 17.829 -20.744 -5.367 1.00 0.00 C ATOM 0 H ALA A 28 16.641 -18.607 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 28 18.225 -19.872 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.345 -21.672 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.513 -20.077 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.974 -20.962 -4.727 1.00 0.00 H new ATOM 353 N GLY A 29 17.018 -21.843 -8.257 1.00 0.00 N ATOM 354 CA GLY A 29 16.254 -22.760 -9.085 1.00 0.00 C ATOM 355 C GLY A 29 15.596 -23.849 -8.235 1.00 0.00 C ATOM 356 O GLY A 29 16.175 -24.309 -7.252 1.00 0.00 O ATOM 0 H GLY A 29 18.030 -21.933 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.489 -22.210 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.909 -23.218 -9.826 1.00 0.00 H new ATOM 360 N ASN A 30 14.395 -24.228 -8.644 1.00 0.00 N ATOM 361 CA ASN A 30 13.651 -25.254 -7.932 1.00 0.00 C ATOM 362 C ASN A 30 13.558 -24.876 -6.453 1.00 0.00 C ATOM 363 O ASN A 30 14.215 -25.485 -5.610 1.00 0.00 O ATOM 364 CB ASN A 30 14.352 -26.610 -8.030 1.00 0.00 C ATOM 365 CG ASN A 30 13.556 -27.693 -7.300 1.00 0.00 C ATOM 366 OD1 ASN A 30 13.494 -27.740 -6.082 1.00 0.00 O ATOM 367 ND2 ASN A 30 12.951 -28.558 -8.109 1.00 0.00 N ATOM 0 H ASN A 30 13.918 -23.843 -9.459 1.00 0.00 H new ATOM 0 HA ASN A 30 12.661 -25.326 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.472 -26.886 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.352 -26.538 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.394 -29.318 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.044 -28.461 -9.120 1.00 0.00 H new ATOM 374 N THR A 31 12.737 -23.872 -6.182 1.00 0.00 N ATOM 375 CA THR A 31 12.550 -23.405 -4.818 1.00 0.00 C ATOM 376 C THR A 31 11.178 -22.744 -4.665 1.00 0.00 C ATOM 377 O THR A 31 10.498 -22.944 -3.660 1.00 0.00 O ATOM 378 CB THR A 31 13.714 -22.476 -4.473 1.00 0.00 C ATOM 379 OG1 THR A 31 13.805 -21.601 -5.594 1.00 0.00 O ATOM 380 CG2 THR A 31 15.060 -23.204 -4.458 1.00 0.00 C ATOM 0 H THR A 31 12.194 -23.369 -6.883 1.00 0.00 H new ATOM 0 HA THR A 31 12.557 -24.234 -4.111 1.00 0.00 H new ATOM 0 HB THR A 31 13.537 -22.020 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.576 -21.853 -6.144 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.852 -22.499 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.035 -24.000 -3.714 1.00 0.00 H new ATOM 0 HG23 THR A 31 15.253 -23.632 -5.442 1.00 0.00 H new ATOM 388 N GLY A 32 10.813 -21.970 -5.676 1.00 0.00 N ATOM 389 CA GLY A 32 9.536 -21.279 -5.666 1.00 0.00 C ATOM 390 C GLY A 32 9.602 -20.016 -4.805 1.00 0.00 C ATOM 391 O GLY A 32 8.684 -19.198 -4.825 1.00 0.00 O ATOM 0 H GLY A 32 11.380 -21.806 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.254 -21.014 -6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.762 -21.944 -5.283 1.00 0.00 H new ATOM 395 N ARG A 33 10.698 -19.896 -4.071 1.00 0.00 N ATOM 396 CA ARG A 33 10.897 -18.747 -3.204 1.00 0.00 C ATOM 397 C ARG A 33 12.332 -18.231 -3.329 1.00 0.00 C ATOM 398 O ARG A 33 13.227 -18.967 -3.741 1.00 0.00 O ATOM 399 CB ARG A 33 10.615 -19.103 -1.743 1.00 0.00 C ATOM 400 CG ARG A 33 11.584 -20.177 -1.244 1.00 0.00 C ATOM 401 CD ARG A 33 10.826 -21.394 -0.711 1.00 0.00 C ATOM 402 NE ARG A 33 11.376 -21.798 0.602 1.00 0.00 N ATOM 403 CZ ARG A 33 11.182 -23.010 1.164 1.00 0.00 C ATOM 404 NH1 ARG A 33 10.449 -23.950 0.529 1.00 0.00 N ATOM 405 NH2 ARG A 33 11.720 -23.263 2.342 1.00 0.00 N ATOM 0 H ARG A 33 11.458 -20.576 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 33 10.199 -17.970 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.705 -18.211 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.589 -19.458 -1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.244 -20.482 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.216 -19.765 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.766 -21.159 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.905 -22.220 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 33 11.937 -21.118 1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.037 -23.747 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.307 -24.863 0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.273 -22.548 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.583 -24.174 2.780 1.00 0.00 H new ATOM 418 N VAL A 34 12.507 -16.969 -2.964 1.00 0.00 N ATOM 419 CA VAL A 34 13.817 -16.345 -3.029 1.00 0.00 C ATOM 420 C VAL A 34 14.608 -16.697 -1.768 1.00 0.00 C ATOM 421 O VAL A 34 14.325 -16.179 -0.689 1.00 0.00 O ATOM 422 CB VAL A 34 13.670 -14.837 -3.241 1.00 0.00 C ATOM 423 CG1 VAL A 34 15.037 -14.169 -3.398 1.00 0.00 C ATOM 424 CG2 VAL A 34 12.772 -14.538 -4.444 1.00 0.00 C ATOM 0 H VAL A 34 11.762 -16.362 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 34 14.379 -16.726 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 34 13.193 -14.419 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.903 -13.098 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.630 -14.339 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.553 -14.594 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.684 -13.459 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.208 -14.976 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.784 -14.965 -4.275 1.00 0.00 H new ATOM 434 N LEU A 35 15.584 -17.576 -1.945 1.00 0.00 N ATOM 435 CA LEU A 35 16.418 -18.003 -0.835 1.00 0.00 C ATOM 436 C LEU A 35 17.021 -16.773 -0.153 1.00 0.00 C ATOM 437 O LEU A 35 17.488 -16.854 0.982 1.00 0.00 O ATOM 438 CB LEU A 35 17.460 -19.018 -1.307 1.00 0.00 C ATOM 439 CG LEU A 35 17.273 -20.453 -0.808 1.00 0.00 C ATOM 440 CD1 LEU A 35 18.150 -21.427 -1.597 1.00 0.00 C ATOM 441 CD2 LEU A 35 17.525 -20.547 0.698 1.00 0.00 C ATOM 0 H LEU A 35 15.816 -18.004 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 35 15.819 -18.521 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.459 -19.030 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.445 -18.671 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 35 16.236 -20.742 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.998 -22.439 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.880 -21.386 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 35 19.198 -21.150 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.385 -21.577 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.545 -20.231 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.824 -19.900 1.225 1.00 0.00 H new ATOM 453 N ALA A 36 16.993 -15.663 -0.875 1.00 0.00 N ATOM 454 CA ALA A 36 17.531 -14.418 -0.355 1.00 0.00 C ATOM 455 C ALA A 36 19.034 -14.360 -0.637 1.00 0.00 C ATOM 456 O ALA A 36 19.538 -13.353 -1.132 1.00 0.00 O ATOM 457 CB ALA A 36 17.214 -14.308 1.138 1.00 0.00 C ATOM 0 H ALA A 36 16.606 -15.600 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 36 17.069 -13.564 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.618 -13.374 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.134 -14.325 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.664 -15.147 1.668 1.00 0.00 H new ATOM 463 N LEU A 37 19.708 -15.453 -0.310 1.00 0.00 N ATOM 464 CA LEU A 37 21.143 -15.539 -0.522 1.00 0.00 C ATOM 465 C LEU A 37 21.487 -14.958 -1.895 1.00 0.00 C ATOM 466 O LEU A 37 22.453 -14.209 -2.031 1.00 0.00 O ATOM 467 CB LEU A 37 21.628 -16.976 -0.322 1.00 0.00 C ATOM 468 CG LEU A 37 21.895 -17.399 1.124 1.00 0.00 C ATOM 469 CD1 LEU A 37 23.144 -16.710 1.676 1.00 0.00 C ATOM 470 CD2 LEU A 37 20.667 -17.151 2.003 1.00 0.00 C ATOM 0 H LEU A 37 19.287 -16.286 0.100 1.00 0.00 H new ATOM 0 HA LEU A 37 21.675 -14.942 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.885 -17.651 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.546 -17.112 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 37 22.088 -18.472 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.310 -17.028 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.007 -16.981 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.005 -15.629 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.883 -17.460 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.418 -16.090 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.824 -17.726 1.621 1.00 0.00 H new ATOM 482 N ASP A 38 20.677 -15.326 -2.877 1.00 0.00 N ATOM 483 CA ASP A 38 20.884 -14.851 -4.235 1.00 0.00 C ATOM 484 C ASP A 38 20.475 -13.380 -4.323 1.00 0.00 C ATOM 485 O ASP A 38 21.114 -12.595 -5.022 1.00 0.00 O ATOM 486 CB ASP A 38 20.031 -15.641 -5.230 1.00 0.00 C ATOM 487 CG ASP A 38 20.778 -16.137 -6.470 1.00 0.00 C ATOM 488 OD1 ASP A 38 21.005 -17.344 -6.638 1.00 0.00 O ATOM 489 OD2 ASP A 38 21.137 -15.214 -7.296 1.00 0.00 O ATOM 0 H ASP A 38 19.877 -15.947 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 38 21.938 -14.980 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 38 19.601 -16.500 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.200 -15.013 -5.552 1.00 0.00 H new ATOM 495 N ALA A 39 19.411 -13.050 -3.606 1.00 0.00 N ATOM 496 CA ALA A 39 18.908 -11.687 -3.595 1.00 0.00 C ATOM 497 C ALA A 39 20.035 -10.736 -3.184 1.00 0.00 C ATOM 498 O ALA A 39 20.233 -9.696 -3.810 1.00 0.00 O ATOM 499 CB ALA A 39 17.699 -11.596 -2.662 1.00 0.00 C ATOM 0 H ALA A 39 18.883 -13.704 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 39 18.574 -11.393 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 39 17.322 -10.573 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.917 -12.269 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 39 17.996 -11.881 -1.653 1.00 0.00 H new ATOM 505 N ALA A 40 20.742 -11.127 -2.134 1.00 0.00 N ATOM 506 CA ALA A 40 21.843 -10.323 -1.632 1.00 0.00 C ATOM 507 C ALA A 40 22.942 -10.250 -2.695 1.00 0.00 C ATOM 508 O ALA A 40 23.675 -9.265 -2.768 1.00 0.00 O ATOM 509 CB ALA A 40 22.347 -10.913 -0.313 1.00 0.00 C ATOM 0 H ALA A 40 20.574 -11.990 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 40 21.512 -9.305 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.173 -10.310 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.538 -10.916 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 40 22.690 -11.934 -0.479 1.00 0.00 H new ATOM 515 N ALA A 41 23.020 -11.304 -3.493 1.00 0.00 N ATOM 516 CA ALA A 41 24.016 -11.372 -4.549 1.00 0.00 C ATOM 517 C ALA A 41 23.657 -10.371 -5.648 1.00 0.00 C ATOM 518 O ALA A 41 24.470 -9.523 -6.011 1.00 0.00 O ATOM 519 CB ALA A 41 24.108 -12.806 -5.073 1.00 0.00 C ATOM 0 H ALA A 41 22.409 -12.119 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 41 25.000 -11.102 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.855 -12.857 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 41 24.395 -13.473 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.139 -13.112 -5.468 1.00 0.00 H new ATOM 525 N PHE A 42 22.437 -10.503 -6.149 1.00 0.00 N ATOM 526 CA PHE A 42 21.960 -9.620 -7.200 1.00 0.00 C ATOM 527 C PHE A 42 22.047 -8.155 -6.767 1.00 0.00 C ATOM 528 O PHE A 42 22.299 -7.276 -7.589 1.00 0.00 O ATOM 529 CB PHE A 42 20.494 -9.979 -7.453 1.00 0.00 C ATOM 530 CG PHE A 42 19.790 -9.052 -8.447 1.00 0.00 C ATOM 531 CD1 PHE A 42 20.295 -8.888 -9.699 1.00 0.00 C ATOM 532 CD2 PHE A 42 18.659 -8.393 -8.078 1.00 0.00 C ATOM 533 CE1 PHE A 42 19.641 -8.028 -10.621 1.00 0.00 C ATOM 534 CE2 PHE A 42 18.006 -7.533 -9.000 1.00 0.00 C ATOM 535 CZ PHE A 42 18.511 -7.369 -10.252 1.00 0.00 C ATOM 0 H PHE A 42 21.765 -11.208 -5.846 1.00 0.00 H new ATOM 0 HA PHE A 42 22.570 -9.743 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 42 20.440 -11.002 -7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 42 19.956 -9.955 -6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 42 21.193 -9.411 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 42 18.258 -8.524 -7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 42 20.042 -7.898 -11.615 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.108 -7.009 -8.707 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.014 -6.715 -10.953 1.00 0.00 H new ATOM 545 N LEU A 43 21.832 -7.939 -5.478 1.00 0.00 N ATOM 546 CA LEU A 43 21.883 -6.595 -4.926 1.00 0.00 C ATOM 547 C LEU A 43 23.325 -6.087 -4.966 1.00 0.00 C ATOM 548 O LEU A 43 23.579 -4.962 -5.396 1.00 0.00 O ATOM 549 CB LEU A 43 21.259 -6.566 -3.529 1.00 0.00 C ATOM 550 CG LEU A 43 19.735 -6.691 -3.472 1.00 0.00 C ATOM 551 CD1 LEU A 43 19.242 -6.726 -2.025 1.00 0.00 C ATOM 552 CD2 LEU A 43 19.064 -5.579 -4.281 1.00 0.00 C ATOM 0 H LEU A 43 21.622 -8.671 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 43 21.287 -5.911 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.692 -7.376 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 43 21.545 -5.633 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 43 19.452 -7.638 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.156 -6.815 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.682 -7.581 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.536 -5.807 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.981 -5.690 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.351 -4.609 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.381 -5.644 -5.322 1.00 0.00 H new ATOM 564 N LYS A 44 24.233 -6.939 -4.512 1.00 0.00 N ATOM 565 CA LYS A 44 25.643 -6.590 -4.491 1.00 0.00 C ATOM 566 C LYS A 44 26.064 -6.101 -5.878 1.00 0.00 C ATOM 567 O LYS A 44 27.064 -5.398 -6.016 1.00 0.00 O ATOM 568 CB LYS A 44 26.478 -7.763 -3.973 1.00 0.00 C ATOM 569 CG LYS A 44 26.625 -7.702 -2.451 1.00 0.00 C ATOM 570 CD LYS A 44 27.979 -8.258 -2.008 1.00 0.00 C ATOM 571 CE LYS A 44 27.924 -9.779 -1.856 1.00 0.00 C ATOM 572 NZ LYS A 44 28.433 -10.442 -3.077 1.00 0.00 N ATOM 0 H LYS A 44 24.019 -7.871 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 44 25.822 -5.770 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.007 -8.703 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.464 -7.746 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 44 26.523 -6.671 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 44 25.823 -8.271 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 44 28.743 -7.989 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.270 -7.805 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 44 28.517 -10.086 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 44 26.898 -10.094 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.388 -11.474 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.850 -10.163 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.419 -10.155 -3.242 1.00 0.00 H new ATOM 583 N LYS A 45 25.279 -6.491 -6.872 1.00 0.00 N ATOM 584 CA LYS A 45 25.558 -6.101 -8.243 1.00 0.00 C ATOM 585 C LYS A 45 25.316 -4.598 -8.401 1.00 0.00 C ATOM 586 O LYS A 45 25.632 -4.021 -9.440 1.00 0.00 O ATOM 587 CB LYS A 45 24.750 -6.959 -9.219 1.00 0.00 C ATOM 588 CG LYS A 45 24.891 -8.446 -8.888 1.00 0.00 C ATOM 589 CD LYS A 45 24.502 -9.314 -10.086 1.00 0.00 C ATOM 590 CE LYS A 45 25.039 -10.738 -9.929 1.00 0.00 C ATOM 591 NZ LYS A 45 26.310 -10.897 -10.671 1.00 0.00 N ATOM 0 H LYS A 45 24.450 -7.073 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 45 26.605 -6.283 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 45 23.699 -6.672 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 45 25.091 -6.776 -10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 45 25.919 -8.661 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 45 24.260 -8.694 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 45 23.417 -9.340 -10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.894 -8.873 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.197 -10.959 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.304 -11.453 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.661 -11.869 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.149 -10.706 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.014 -10.228 -10.300 1.00 0.00 H new ATOM 602 N SER A 46 24.758 -4.008 -7.354 1.00 0.00 N ATOM 603 CA SER A 46 24.471 -2.584 -7.363 1.00 0.00 C ATOM 604 C SER A 46 25.776 -1.787 -7.415 1.00 0.00 C ATOM 605 O SER A 46 26.051 -1.101 -8.398 1.00 0.00 O ATOM 606 CB SER A 46 23.651 -2.180 -6.136 1.00 0.00 C ATOM 607 OG SER A 46 24.384 -2.345 -4.926 1.00 0.00 O ATOM 0 H SER A 46 24.497 -4.490 -6.494 1.00 0.00 H new ATOM 0 HA SER A 46 23.880 -2.360 -8.251 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.342 -1.139 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 46 22.742 -2.780 -6.094 1.00 0.00 H new ATOM 0 HG SER A 46 24.381 -3.290 -4.668 1.00 0.00 H new ATOM 613 N GLY A 47 26.547 -1.904 -6.343 1.00 0.00 N ATOM 614 CA GLY A 47 27.816 -1.203 -6.254 1.00 0.00 C ATOM 615 C GLY A 47 28.064 -0.696 -4.832 1.00 0.00 C ATOM 616 O GLY A 47 29.210 -0.498 -4.430 1.00 0.00 O ATOM 0 H GLY A 47 26.317 -2.474 -5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 47 28.625 -1.869 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 47 27.821 -0.364 -6.949 1.00 0.00 H new ATOM 620 N LEU A 48 26.971 -0.500 -4.109 1.00 0.00 N ATOM 621 CA LEU A 48 27.055 -0.019 -2.740 1.00 0.00 C ATOM 622 C LEU A 48 27.739 -1.079 -1.874 1.00 0.00 C ATOM 623 O LEU A 48 27.799 -2.248 -2.249 1.00 0.00 O ATOM 624 CB LEU A 48 25.672 0.393 -2.231 1.00 0.00 C ATOM 625 CG LEU A 48 25.150 1.742 -2.728 1.00 0.00 C ATOM 626 CD1 LEU A 48 23.649 1.677 -3.016 1.00 0.00 C ATOM 627 CD2 LEU A 48 25.496 2.860 -1.742 1.00 0.00 C ATOM 0 H LEU A 48 26.022 -0.666 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 48 27.669 0.880 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 48 24.957 -0.379 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.699 0.415 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 48 25.648 1.976 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.304 2.649 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.458 0.925 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.115 1.410 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.114 3.809 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.043 2.645 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.578 2.924 -1.630 1.00 0.00 H new ATOM 639 N PRO A 49 28.250 -0.619 -0.700 1.00 0.00 N ATOM 640 CA PRO A 49 28.927 -1.513 0.223 1.00 0.00 C ATOM 641 C PRO A 49 27.923 -2.397 0.966 1.00 0.00 C ATOM 642 O PRO A 49 26.717 -2.166 0.896 1.00 0.00 O ATOM 643 CB PRO A 49 29.715 -0.601 1.149 1.00 0.00 C ATOM 644 CG PRO A 49 29.089 0.777 1.008 1.00 0.00 C ATOM 645 CD PRO A 49 28.197 0.760 -0.223 1.00 0.00 C ATOM 0 HA PRO A 49 29.591 -2.214 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 49 29.662 -0.951 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 49 30.769 -0.581 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.509 1.025 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.862 1.539 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.177 1.055 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.556 1.456 -0.982 1.00 0.00 H new ATOM 653 N ASP A 50 28.458 -3.389 1.663 1.00 0.00 N ATOM 654 CA ASP A 50 27.624 -4.308 2.419 1.00 0.00 C ATOM 655 C ASP A 50 27.102 -3.602 3.672 1.00 0.00 C ATOM 656 O ASP A 50 26.079 -3.996 4.229 1.00 0.00 O ATOM 657 CB ASP A 50 28.421 -5.535 2.864 1.00 0.00 C ATOM 658 CG ASP A 50 29.187 -6.249 1.749 1.00 0.00 C ATOM 659 OD1 ASP A 50 28.685 -6.400 0.625 1.00 0.00 O ATOM 660 OD2 ASP A 50 30.364 -6.664 2.075 1.00 0.00 O ATOM 0 H ASP A 50 29.459 -3.576 1.720 1.00 0.00 H new ATOM 0 HA ASP A 50 26.803 -4.626 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 50 29.130 -5.229 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 50 27.736 -6.246 3.326 1.00 0.00 H new ATOM 666 N LEU A 51 27.829 -2.572 4.078 1.00 0.00 N ATOM 667 CA LEU A 51 27.452 -1.808 5.256 1.00 0.00 C ATOM 668 C LEU A 51 26.066 -1.198 5.040 1.00 0.00 C ATOM 669 O LEU A 51 25.111 -1.560 5.726 1.00 0.00 O ATOM 670 CB LEU A 51 28.531 -0.778 5.594 1.00 0.00 C ATOM 671 CG LEU A 51 28.030 0.610 6.001 1.00 0.00 C ATOM 672 CD1 LEU A 51 27.071 0.520 7.189 1.00 0.00 C ATOM 673 CD2 LEU A 51 29.200 1.555 6.279 1.00 0.00 C ATOM 0 H LEU A 51 28.677 -2.248 3.613 1.00 0.00 H new ATOM 0 HA LEU A 51 27.382 -2.460 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.142 -1.174 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.184 -0.667 4.728 1.00 0.00 H new ATOM 0 HG LEU A 51 27.469 1.029 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.730 1.520 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.213 -0.095 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.586 0.071 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.817 2.534 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.809 1.152 7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 29.810 1.653 5.381 1.00 0.00 H new ATOM 685 N ILE A 52 25.999 -0.283 4.085 1.00 0.00 N ATOM 686 CA ILE A 52 24.745 0.381 3.770 1.00 0.00 C ATOM 687 C ILE A 52 23.685 -0.672 3.439 1.00 0.00 C ATOM 688 O ILE A 52 22.512 -0.500 3.766 1.00 0.00 O ATOM 689 CB ILE A 52 24.950 1.417 2.663 1.00 0.00 C ATOM 690 CG1 ILE A 52 25.932 2.504 3.104 1.00 0.00 C ATOM 691 CG2 ILE A 52 23.613 2.003 2.207 1.00 0.00 C ATOM 692 CD1 ILE A 52 25.591 3.847 2.455 1.00 0.00 C ATOM 0 H ILE A 52 26.793 0.015 3.518 1.00 0.00 H new ATOM 0 HA ILE A 52 24.382 0.939 4.633 1.00 0.00 H new ATOM 0 HB ILE A 52 25.392 0.915 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 52 25.907 2.604 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 52 26.947 2.213 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.787 2.737 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.977 1.204 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.121 2.486 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 52 26.304 4.602 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 52 25.641 3.750 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 52 24.584 4.147 2.746 1.00 0.00 H new ATOM 704 N LEU A 53 24.136 -1.738 2.795 1.00 0.00 N ATOM 705 CA LEU A 53 23.241 -2.818 2.416 1.00 0.00 C ATOM 706 C LEU A 53 22.686 -3.481 3.678 1.00 0.00 C ATOM 707 O LEU A 53 21.491 -3.758 3.763 1.00 0.00 O ATOM 708 CB LEU A 53 23.947 -3.791 1.470 1.00 0.00 C ATOM 709 CG LEU A 53 23.577 -3.675 -0.010 1.00 0.00 C ATOM 710 CD1 LEU A 53 24.581 -4.426 -0.887 1.00 0.00 C ATOM 711 CD2 LEU A 53 22.141 -4.142 -0.255 1.00 0.00 C ATOM 0 H LEU A 53 25.110 -1.877 2.526 1.00 0.00 H new ATOM 0 HA LEU A 53 22.389 -2.429 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 53 25.023 -3.645 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 23.732 -4.808 1.799 1.00 0.00 H new ATOM 0 HG LEU A 53 23.626 -2.623 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 53 24.295 -4.327 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.576 -4.006 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.588 -5.480 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 21.904 -4.049 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 53 22.040 -5.184 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 53 21.454 -3.526 0.326 1.00 0.00 H new ATOM 723 N GLY A 54 23.580 -3.715 4.627 1.00 0.00 N ATOM 724 CA GLY A 54 23.195 -4.340 5.881 1.00 0.00 C ATOM 725 C GLY A 54 21.909 -3.719 6.430 1.00 0.00 C ATOM 726 O GLY A 54 21.012 -4.433 6.876 1.00 0.00 O ATOM 0 H GLY A 54 24.570 -3.483 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.051 -5.410 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.998 -4.227 6.610 1.00 0.00 H new ATOM 730 N LYS A 55 21.860 -2.396 6.380 1.00 0.00 N ATOM 731 CA LYS A 55 20.699 -1.671 6.867 1.00 0.00 C ATOM 732 C LYS A 55 19.480 -2.040 6.020 1.00 0.00 C ATOM 733 O LYS A 55 18.392 -2.255 6.552 1.00 0.00 O ATOM 734 CB LYS A 55 20.986 -0.169 6.911 1.00 0.00 C ATOM 735 CG LYS A 55 21.814 0.196 8.144 1.00 0.00 C ATOM 736 CD LYS A 55 20.915 0.672 9.287 1.00 0.00 C ATOM 737 CE LYS A 55 21.330 0.033 10.614 1.00 0.00 C ATOM 738 NZ LYS A 55 20.145 -0.201 11.469 1.00 0.00 N ATOM 0 H LYS A 55 22.606 -1.807 6.010 1.00 0.00 H new ATOM 0 HA LYS A 55 20.473 -1.959 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.520 0.129 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.047 0.384 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 55 22.392 -0.670 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.528 0.979 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 55 20.970 1.758 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.877 0.421 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.842 -0.911 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.037 0.682 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 20.444 -0.635 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.673 0.705 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.484 -0.838 10.980 1.00 0.00 H new ATOM 749 N ILE A 56 19.703 -2.103 4.715 1.00 0.00 N ATOM 750 CA ILE A 56 18.636 -2.443 3.789 1.00 0.00 C ATOM 751 C ILE A 56 18.039 -3.796 4.180 1.00 0.00 C ATOM 752 O ILE A 56 16.835 -3.906 4.406 1.00 0.00 O ATOM 753 CB ILE A 56 19.141 -2.387 2.346 1.00 0.00 C ATOM 754 CG1 ILE A 56 19.330 -0.939 1.887 1.00 0.00 C ATOM 755 CG2 ILE A 56 18.217 -3.169 1.411 1.00 0.00 C ATOM 756 CD1 ILE A 56 19.631 -0.874 0.388 1.00 0.00 C ATOM 0 H ILE A 56 20.607 -1.924 4.277 1.00 0.00 H new ATOM 0 HA ILE A 56 17.831 -1.710 3.849 1.00 0.00 H new ATOM 0 HB ILE A 56 20.119 -2.867 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 56 18.430 -0.364 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.146 -0.480 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.599 -3.113 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.177 -4.211 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 56 17.215 -2.741 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 56 19.761 0.166 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.544 -1.430 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 18.802 -1.312 -0.169 1.00 0.00 H new ATOM 768 N TRP A 57 18.909 -4.793 4.247 1.00 0.00 N ATOM 769 CA TRP A 57 18.483 -6.135 4.606 1.00 0.00 C ATOM 770 C TRP A 57 17.765 -6.058 5.955 1.00 0.00 C ATOM 771 O TRP A 57 16.614 -6.476 6.074 1.00 0.00 O ATOM 772 CB TRP A 57 19.668 -7.103 4.615 1.00 0.00 C ATOM 773 CG TRP A 57 19.268 -8.577 4.538 1.00 0.00 C ATOM 774 CD1 TRP A 57 18.888 -9.382 5.540 1.00 0.00 C ATOM 775 CD2 TRP A 57 19.223 -9.396 3.350 1.00 0.00 C ATOM 776 NE1 TRP A 57 18.603 -10.654 5.087 1.00 0.00 N ATOM 777 CE2 TRP A 57 18.813 -10.662 3.713 1.00 0.00 C ATOM 778 CE3 TRP A 57 19.519 -9.076 2.014 1.00 0.00 C ATOM 779 CZ2 TRP A 57 18.662 -11.710 2.797 1.00 0.00 C ATOM 780 CZ3 TRP A 57 19.363 -10.134 1.111 1.00 0.00 C ATOM 781 CH2 TRP A 57 18.951 -11.415 1.459 1.00 0.00 C ATOM 0 H TRP A 57 19.907 -4.698 4.059 1.00 0.00 H new ATOM 0 HA TRP A 57 17.790 -6.530 3.864 1.00 0.00 H new ATOM 0 HB2 TRP A 57 20.321 -6.870 3.774 1.00 0.00 H new ATOM 0 HB3 TRP A 57 20.249 -6.942 5.523 1.00 0.00 H new ATOM 0 HD1 TRP A 57 18.814 -9.074 6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 57 18.295 -11.443 5.656 1.00 0.00 H new ATOM 0 HE3 TRP A 57 19.841 -8.092 1.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 18.340 -12.693 3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 19.578 -9.941 0.070 1.00 0.00 H new ATOM 0 HH2 TRP A 57 18.854 -12.179 0.702 1.00 0.00 H new ATOM 792 N ASP A 58 18.473 -5.519 6.937 1.00 0.00 N ATOM 793 CA ASP A 58 17.917 -5.382 8.272 1.00 0.00 C ATOM 794 C ASP A 58 16.492 -4.835 8.173 1.00 0.00 C ATOM 795 O ASP A 58 15.587 -5.323 8.848 1.00 0.00 O ATOM 796 CB ASP A 58 18.741 -4.405 9.114 1.00 0.00 C ATOM 797 CG ASP A 58 18.613 -4.589 10.627 1.00 0.00 C ATOM 798 OD1 ASP A 58 19.498 -5.164 11.278 1.00 0.00 O ATOM 799 OD2 ASP A 58 17.535 -4.106 11.146 1.00 0.00 O ATOM 0 H ASP A 58 19.427 -5.172 6.834 1.00 0.00 H new ATOM 0 HA ASP A 58 17.928 -6.364 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.791 -4.507 8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.442 -3.388 8.860 1.00 0.00 H new ATOM 805 N LEU A 59 16.336 -3.828 7.326 1.00 0.00 N ATOM 806 CA LEU A 59 15.037 -3.209 7.129 1.00 0.00 C ATOM 807 C LEU A 59 14.152 -4.143 6.301 1.00 0.00 C ATOM 808 O LEU A 59 12.933 -4.157 6.466 1.00 0.00 O ATOM 809 CB LEU A 59 15.194 -1.813 6.522 1.00 0.00 C ATOM 810 CG LEU A 59 13.911 -1.158 6.006 1.00 0.00 C ATOM 811 CD1 LEU A 59 13.527 -1.713 4.632 1.00 0.00 C ATOM 812 CD2 LEU A 59 12.775 -1.302 7.020 1.00 0.00 C ATOM 0 H LEU A 59 17.089 -3.425 6.768 1.00 0.00 H new ATOM 0 HA LEU A 59 14.537 -3.061 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.635 -1.159 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.904 -1.875 5.697 1.00 0.00 H new ATOM 0 HG LEU A 59 14.098 -0.091 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.612 -1.231 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.330 -1.515 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.365 -2.788 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.875 -0.828 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.579 -2.359 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.060 -0.822 7.956 1.00 0.00 H new ATOM 824 N ALA A 60 14.800 -4.901 5.429 1.00 0.00 N ATOM 825 CA ALA A 60 14.087 -5.836 4.575 1.00 0.00 C ATOM 826 C ALA A 60 13.557 -6.994 5.424 1.00 0.00 C ATOM 827 O ALA A 60 12.348 -7.137 5.600 1.00 0.00 O ATOM 828 CB ALA A 60 15.012 -6.311 3.453 1.00 0.00 C ATOM 0 H ALA A 60 15.811 -4.887 5.295 1.00 0.00 H new ATOM 0 HA ALA A 60 13.230 -5.351 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.477 -7.012 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.336 -5.455 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 60 15.883 -6.805 3.884 1.00 0.00 H new ATOM 834 N ASP A 61 14.489 -7.790 5.928 1.00 0.00 N ATOM 835 CA ASP A 61 14.131 -8.930 6.754 1.00 0.00 C ATOM 836 C ASP A 61 12.949 -8.555 7.649 1.00 0.00 C ATOM 837 O ASP A 61 12.987 -7.540 8.342 1.00 0.00 O ATOM 838 CB ASP A 61 15.295 -9.343 7.657 1.00 0.00 C ATOM 839 CG ASP A 61 14.945 -10.370 8.735 1.00 0.00 C ATOM 840 OD1 ASP A 61 14.758 -11.561 8.446 1.00 0.00 O ATOM 841 OD2 ASP A 61 14.865 -9.898 9.933 1.00 0.00 O ATOM 0 H ASP A 61 15.491 -7.668 5.780 1.00 0.00 H new ATOM 0 HA ASP A 61 13.876 -9.758 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.092 -9.750 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.693 -8.451 8.142 1.00 0.00 H new ATOM 847 N THR A 62 11.925 -9.396 7.606 1.00 0.00 N ATOM 848 CA THR A 62 10.733 -9.165 8.405 1.00 0.00 C ATOM 849 C THR A 62 9.884 -10.436 8.475 1.00 0.00 C ATOM 850 O THR A 62 9.365 -10.782 9.535 1.00 0.00 O ATOM 851 CB THR A 62 9.989 -7.969 7.809 1.00 0.00 C ATOM 852 OG1 THR A 62 10.638 -6.836 8.379 1.00 0.00 O ATOM 853 CG2 THR A 62 8.548 -7.866 8.313 1.00 0.00 C ATOM 0 H THR A 62 11.896 -10.238 7.031 1.00 0.00 H new ATOM 0 HA THR A 62 10.989 -8.925 9.437 1.00 0.00 H new ATOM 0 HB THR A 62 9.989 -8.047 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.453 -7.124 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.065 -7.001 7.859 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.002 -8.770 8.042 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.549 -7.754 9.397 1.00 0.00 H new ATOM 861 N ASP A 63 9.770 -11.096 7.332 1.00 0.00 N ATOM 862 CA ASP A 63 8.992 -12.321 7.250 1.00 0.00 C ATOM 863 C ASP A 63 9.429 -13.273 8.366 1.00 0.00 C ATOM 864 O ASP A 63 8.592 -13.862 9.048 1.00 0.00 O ATOM 865 CB ASP A 63 9.217 -13.028 5.911 1.00 0.00 C ATOM 866 CG ASP A 63 8.319 -14.241 5.662 1.00 0.00 C ATOM 867 OD1 ASP A 63 7.928 -14.950 6.601 1.00 0.00 O ATOM 868 OD2 ASP A 63 8.016 -14.450 4.426 1.00 0.00 O ATOM 0 H ASP A 63 10.203 -10.806 6.455 1.00 0.00 H new ATOM 0 HA ASP A 63 7.939 -12.059 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.062 -12.309 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.258 -13.348 5.856 1.00 0.00 H new ATOM 874 N GLY A 64 10.740 -13.394 8.517 1.00 0.00 N ATOM 875 CA GLY A 64 11.298 -14.264 9.538 1.00 0.00 C ATOM 876 C GLY A 64 12.483 -15.062 8.990 1.00 0.00 C ATOM 877 O GLY A 64 13.600 -14.944 9.491 1.00 0.00 O ATOM 0 H GLY A 64 11.432 -12.904 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.620 -13.668 10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.529 -14.948 9.898 1.00 0.00 H new ATOM 881 N LYS A 65 12.199 -15.857 7.969 1.00 0.00 N ATOM 882 CA LYS A 65 13.227 -16.675 7.348 1.00 0.00 C ATOM 883 C LYS A 65 14.050 -15.811 6.390 1.00 0.00 C ATOM 884 O LYS A 65 13.557 -14.809 5.873 1.00 0.00 O ATOM 885 CB LYS A 65 12.605 -17.906 6.686 1.00 0.00 C ATOM 886 CG LYS A 65 13.679 -18.932 6.319 1.00 0.00 C ATOM 887 CD LYS A 65 13.061 -20.311 6.079 1.00 0.00 C ATOM 888 CE LYS A 65 13.724 -21.370 6.961 1.00 0.00 C ATOM 889 NZ LYS A 65 13.111 -22.697 6.726 1.00 0.00 N ATOM 0 H LYS A 65 11.271 -15.952 7.556 1.00 0.00 H new ATOM 0 HA LYS A 65 13.914 -17.060 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.880 -18.359 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.062 -17.606 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.208 -18.606 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.416 -18.994 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.992 -20.276 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.171 -20.585 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.792 -21.413 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.620 -21.095 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.572 -23.405 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.097 -22.656 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.233 -22.964 5.728 1.00 0.00 H new ATOM 900 N GLY A 66 15.289 -16.230 6.182 1.00 0.00 N ATOM 901 CA GLY A 66 16.185 -15.507 5.295 1.00 0.00 C ATOM 902 C GLY A 66 15.524 -15.250 3.939 1.00 0.00 C ATOM 903 O GLY A 66 15.668 -14.170 3.369 1.00 0.00 O ATOM 0 H GLY A 66 15.694 -17.061 6.612 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.467 -14.558 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.102 -16.078 5.154 1.00 0.00 H new ATOM 907 N VAL A 67 14.814 -16.262 3.462 1.00 0.00 N ATOM 908 CA VAL A 67 14.131 -16.159 2.184 1.00 0.00 C ATOM 909 C VAL A 67 13.429 -14.802 2.093 1.00 0.00 C ATOM 910 O VAL A 67 12.937 -14.285 3.095 1.00 0.00 O ATOM 911 CB VAL A 67 13.174 -17.339 2.005 1.00 0.00 C ATOM 912 CG1 VAL A 67 12.401 -17.225 0.690 1.00 0.00 C ATOM 913 CG2 VAL A 67 13.924 -18.670 2.086 1.00 0.00 C ATOM 0 H VAL A 67 14.697 -17.157 3.938 1.00 0.00 H new ATOM 0 HA VAL A 67 14.847 -16.211 1.364 1.00 0.00 H new ATOM 0 HB VAL A 67 12.452 -17.310 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.728 -18.077 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.821 -16.302 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.102 -17.215 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.221 -19.492 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.679 -18.710 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.407 -18.757 3.059 1.00 0.00 H new ATOM 923 N LEU A 68 13.406 -14.264 0.882 1.00 0.00 N ATOM 924 CA LEU A 68 12.773 -12.977 0.648 1.00 0.00 C ATOM 925 C LEU A 68 11.377 -13.199 0.062 1.00 0.00 C ATOM 926 O LEU A 68 11.019 -14.322 -0.289 1.00 0.00 O ATOM 927 CB LEU A 68 13.669 -12.089 -0.219 1.00 0.00 C ATOM 928 CG LEU A 68 15.072 -11.815 0.328 1.00 0.00 C ATOM 929 CD1 LEU A 68 15.768 -10.716 -0.477 1.00 0.00 C ATOM 930 CD2 LEU A 68 15.024 -11.490 1.822 1.00 0.00 C ATOM 0 H LEU A 68 13.815 -14.696 0.053 1.00 0.00 H new ATOM 0 HA LEU A 68 12.644 -12.440 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.767 -12.554 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.166 -11.134 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 68 15.667 -12.722 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.763 -10.540 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.853 -11.026 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.184 -9.797 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.034 -11.299 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 68 14.408 -10.605 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.596 -12.333 2.364 1.00 0.00 H new ATOM 942 N SER A 69 10.626 -12.111 -0.024 1.00 0.00 N ATOM 943 CA SER A 69 9.277 -12.173 -0.560 1.00 0.00 C ATOM 944 C SER A 69 9.154 -11.251 -1.775 1.00 0.00 C ATOM 945 O SER A 69 10.123 -11.047 -2.505 1.00 0.00 O ATOM 946 CB SER A 69 8.244 -11.793 0.502 1.00 0.00 C ATOM 947 OG SER A 69 8.580 -12.315 1.785 1.00 0.00 O ATOM 0 H SER A 69 10.926 -11.181 0.269 1.00 0.00 H new ATOM 0 HA SER A 69 9.079 -13.199 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.167 -10.707 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.264 -12.166 0.204 1.00 0.00 H new ATOM 0 HG SER A 69 7.897 -12.049 2.435 1.00 0.00 H new ATOM 953 N LYS A 70 7.955 -10.718 -1.954 1.00 0.00 N ATOM 954 CA LYS A 70 7.692 -9.822 -3.067 1.00 0.00 C ATOM 955 C LYS A 70 8.128 -8.405 -2.689 1.00 0.00 C ATOM 956 O LYS A 70 9.289 -8.040 -2.868 1.00 0.00 O ATOM 957 CB LYS A 70 6.229 -9.921 -3.501 1.00 0.00 C ATOM 958 CG LYS A 70 6.036 -11.036 -4.531 1.00 0.00 C ATOM 959 CD LYS A 70 4.550 -11.327 -4.753 1.00 0.00 C ATOM 960 CE LYS A 70 4.274 -11.682 -6.215 1.00 0.00 C ATOM 961 NZ LYS A 70 3.223 -12.721 -6.306 1.00 0.00 N ATOM 0 H LYS A 70 7.154 -10.889 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 70 8.278 -10.114 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.600 -10.112 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.907 -8.970 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.499 -10.748 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.541 -11.941 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.237 -12.149 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.959 -10.457 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.961 -10.791 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.189 -12.039 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.047 -12.951 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.536 -13.576 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.346 -12.367 -5.873 1.00 0.00 H new ATOM 972 N GLN A 71 7.172 -7.644 -2.174 1.00 0.00 N ATOM 973 CA GLN A 71 7.443 -6.275 -1.770 1.00 0.00 C ATOM 974 C GLN A 71 8.830 -6.174 -1.133 1.00 0.00 C ATOM 975 O GLN A 71 9.630 -5.319 -1.511 1.00 0.00 O ATOM 976 CB GLN A 71 6.362 -5.762 -0.816 1.00 0.00 C ATOM 977 CG GLN A 71 5.795 -4.425 -1.298 1.00 0.00 C ATOM 978 CD GLN A 71 6.041 -3.321 -0.268 1.00 0.00 C ATOM 979 OE1 GLN A 71 7.107 -3.207 0.315 1.00 0.00 O ATOM 980 NE2 GLN A 71 4.999 -2.518 -0.076 1.00 0.00 N ATOM 0 H GLN A 71 6.210 -7.950 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 71 7.427 -5.644 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.559 -6.496 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.780 -5.645 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.256 -4.151 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.725 -4.525 -1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.136 -2.669 -0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.063 -1.750 0.593 1.00 0.00 H new ATOM 989 N GLU A 72 9.073 -7.057 -0.176 1.00 0.00 N ATOM 990 CA GLU A 72 10.349 -7.078 0.517 1.00 0.00 C ATOM 991 C GLU A 72 11.491 -6.811 -0.465 1.00 0.00 C ATOM 992 O GLU A 72 12.116 -5.753 -0.424 1.00 0.00 O ATOM 993 CB GLU A 72 10.554 -8.406 1.249 1.00 0.00 C ATOM 994 CG GLU A 72 10.087 -8.309 2.703 1.00 0.00 C ATOM 995 CD GLU A 72 11.102 -8.954 3.649 1.00 0.00 C ATOM 996 OE1 GLU A 72 12.280 -8.568 3.651 1.00 0.00 O ATOM 997 OE2 GLU A 72 10.628 -9.887 4.403 1.00 0.00 O ATOM 0 H GLU A 72 8.407 -7.764 0.136 1.00 0.00 H new ATOM 0 HA GLU A 72 10.347 -6.285 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.003 -9.196 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.608 -8.683 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.945 -7.263 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.120 -8.800 2.812 1.00 0.00 H new ATOM 1005 N PHE A 73 11.729 -7.790 -1.326 1.00 0.00 N ATOM 1006 CA PHE A 73 12.785 -7.674 -2.318 1.00 0.00 C ATOM 1007 C PHE A 73 12.585 -6.432 -3.189 1.00 0.00 C ATOM 1008 O PHE A 73 13.523 -5.667 -3.410 1.00 0.00 O ATOM 1009 CB PHE A 73 12.707 -8.920 -3.202 1.00 0.00 C ATOM 1010 CG PHE A 73 13.358 -8.750 -4.576 1.00 0.00 C ATOM 1011 CD1 PHE A 73 12.644 -8.220 -5.606 1.00 0.00 C ATOM 1012 CD2 PHE A 73 14.650 -9.129 -4.768 1.00 0.00 C ATOM 1013 CE1 PHE A 73 13.248 -8.063 -6.881 1.00 0.00 C ATOM 1014 CE2 PHE A 73 15.254 -8.972 -6.044 1.00 0.00 C ATOM 1015 CZ PHE A 73 14.540 -8.441 -7.073 1.00 0.00 C ATOM 0 H PHE A 73 11.209 -8.667 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 73 13.752 -7.586 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.187 -9.751 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.660 -9.191 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.618 -7.919 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 73 15.217 -9.549 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.681 -7.643 -7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.280 -9.274 -6.197 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.999 -8.320 -8.043 1.00 0.00 H new ATOM 1025 N PHE A 74 11.358 -6.270 -3.660 1.00 0.00 N ATOM 1026 CA PHE A 74 11.023 -5.134 -4.502 1.00 0.00 C ATOM 1027 C PHE A 74 11.342 -3.815 -3.795 1.00 0.00 C ATOM 1028 O PHE A 74 11.476 -2.777 -4.441 1.00 0.00 O ATOM 1029 CB PHE A 74 9.519 -5.204 -4.771 1.00 0.00 C ATOM 1030 CG PHE A 74 9.161 -5.623 -6.199 1.00 0.00 C ATOM 1031 CD1 PHE A 74 9.292 -6.922 -6.579 1.00 0.00 C ATOM 1032 CD2 PHE A 74 8.712 -4.697 -7.087 1.00 0.00 C ATOM 1033 CE1 PHE A 74 8.960 -7.311 -7.904 1.00 0.00 C ATOM 1034 CE2 PHE A 74 8.380 -5.085 -8.412 1.00 0.00 C ATOM 1035 CZ PHE A 74 8.511 -6.384 -8.792 1.00 0.00 C ATOM 0 H PHE A 74 10.583 -6.907 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 74 11.603 -5.171 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.068 -5.909 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 74 9.078 -4.228 -4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.648 -7.658 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.608 -3.665 -6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.064 -8.343 -8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.024 -4.349 -9.117 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.258 -6.680 -9.800 1.00 0.00 H new ATOM 1045 N VAL A 75 11.453 -3.899 -2.477 1.00 0.00 N ATOM 1046 CA VAL A 75 11.753 -2.725 -1.675 1.00 0.00 C ATOM 1047 C VAL A 75 13.268 -2.517 -1.630 1.00 0.00 C ATOM 1048 O VAL A 75 13.776 -1.515 -2.131 1.00 0.00 O ATOM 1049 CB VAL A 75 11.127 -2.866 -0.286 1.00 0.00 C ATOM 1050 CG1 VAL A 75 12.086 -2.374 0.800 1.00 0.00 C ATOM 1051 CG2 VAL A 75 9.789 -2.128 -0.210 1.00 0.00 C ATOM 0 H VAL A 75 11.341 -4.762 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 75 11.316 -1.833 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 75 10.936 -3.925 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.617 -2.485 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.003 -2.962 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.322 -1.324 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.366 -2.244 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.945 -1.069 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.102 -2.544 -0.947 1.00 0.00 H new ATOM 1061 N ALA A 76 13.947 -3.480 -1.025 1.00 0.00 N ATOM 1062 CA ALA A 76 15.394 -3.415 -0.908 1.00 0.00 C ATOM 1063 C ALA A 76 15.990 -2.963 -2.243 1.00 0.00 C ATOM 1064 O ALA A 76 17.037 -2.319 -2.273 1.00 0.00 O ATOM 1065 CB ALA A 76 15.932 -4.776 -0.461 1.00 0.00 C ATOM 0 H ALA A 76 13.522 -4.310 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 76 15.685 -2.685 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 76 17.017 -4.727 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.501 -5.038 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 76 15.661 -5.534 -1.196 1.00 0.00 H new ATOM 1071 N LEU A 77 15.296 -3.318 -3.315 1.00 0.00 N ATOM 1072 CA LEU A 77 15.743 -2.957 -4.649 1.00 0.00 C ATOM 1073 C LEU A 77 15.820 -1.433 -4.762 1.00 0.00 C ATOM 1074 O LEU A 77 16.902 -0.855 -4.675 1.00 0.00 O ATOM 1075 CB LEU A 77 14.850 -3.608 -5.708 1.00 0.00 C ATOM 1076 CG LEU A 77 15.569 -4.441 -6.771 1.00 0.00 C ATOM 1077 CD1 LEU A 77 14.644 -4.735 -7.954 1.00 0.00 C ATOM 1078 CD2 LEU A 77 16.867 -3.763 -7.214 1.00 0.00 C ATOM 0 H LEU A 77 14.427 -3.852 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 77 16.747 -3.341 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.127 -4.247 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.285 -2.823 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 77 15.841 -5.399 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.179 -5.328 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.773 -5.290 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.320 -3.797 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.358 -4.376 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.641 -2.782 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.528 -3.647 -6.355 1.00 0.00 H new ATOM 1090 N ARG A 78 14.658 -0.827 -4.954 1.00 0.00 N ATOM 1091 CA ARG A 78 14.580 0.619 -5.080 1.00 0.00 C ATOM 1092 C ARG A 78 15.285 1.293 -3.901 1.00 0.00 C ATOM 1093 O ARG A 78 15.792 2.406 -4.030 1.00 0.00 O ATOM 1094 CB ARG A 78 13.125 1.089 -5.131 1.00 0.00 C ATOM 1095 CG ARG A 78 12.537 0.899 -6.531 1.00 0.00 C ATOM 1096 CD ARG A 78 13.427 1.548 -7.593 1.00 0.00 C ATOM 1097 NE ARG A 78 14.342 0.540 -8.172 1.00 0.00 N ATOM 1098 CZ ARG A 78 14.866 0.618 -9.414 1.00 0.00 C ATOM 1099 NH1 ARG A 78 14.569 1.660 -10.219 1.00 0.00 N ATOM 1100 NH2 ARG A 78 15.672 -0.341 -9.829 1.00 0.00 N ATOM 0 H ARG A 78 13.763 -1.310 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 78 15.073 0.898 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.533 0.531 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.068 2.140 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.429 -0.165 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.539 1.335 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.810 1.985 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.002 2.361 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 78 14.593 -0.264 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.944 2.396 -9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.969 1.711 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.890 -1.125 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.077 -0.298 -10.764 1.00 0.00 H new ATOM 1113 N LEU A 79 15.295 0.590 -2.778 1.00 0.00 N ATOM 1114 CA LEU A 79 15.930 1.106 -1.577 1.00 0.00 C ATOM 1115 C LEU A 79 17.398 1.417 -1.875 1.00 0.00 C ATOM 1116 O LEU A 79 17.922 2.439 -1.434 1.00 0.00 O ATOM 1117 CB LEU A 79 15.731 0.139 -0.408 1.00 0.00 C ATOM 1118 CG LEU A 79 15.747 0.764 0.989 1.00 0.00 C ATOM 1119 CD1 LEU A 79 15.518 -0.298 2.066 1.00 0.00 C ATOM 1120 CD2 LEU A 79 17.039 1.549 1.223 1.00 0.00 C ATOM 0 H LEU A 79 14.873 -0.333 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 79 15.462 2.041 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.779 -0.374 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.511 -0.621 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 79 14.923 1.474 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.534 0.172 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.551 -0.775 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.306 -1.049 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 79 17.025 1.983 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.894 0.879 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.120 2.345 0.483 1.00 0.00 H new ATOM 1132 N VAL A 80 18.021 0.517 -2.622 1.00 0.00 N ATOM 1133 CA VAL A 80 19.418 0.683 -2.984 1.00 0.00 C ATOM 1134 C VAL A 80 19.597 2.017 -3.711 1.00 0.00 C ATOM 1135 O VAL A 80 20.595 2.708 -3.512 1.00 0.00 O ATOM 1136 CB VAL A 80 19.891 -0.516 -3.809 1.00 0.00 C ATOM 1137 CG1 VAL A 80 21.256 -0.241 -4.443 1.00 0.00 C ATOM 1138 CG2 VAL A 80 19.927 -1.787 -2.958 1.00 0.00 C ATOM 0 H VAL A 80 17.584 -0.329 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 80 20.043 0.713 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 80 19.173 -0.673 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.569 -1.109 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.185 0.627 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.988 -0.045 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.266 -2.624 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.612 -1.646 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.928 -1.998 -2.576 1.00 0.00 H new ATOM 1148 N ALA A 81 18.615 2.340 -4.540 1.00 0.00 N ATOM 1149 CA ALA A 81 18.651 3.579 -5.298 1.00 0.00 C ATOM 1150 C ALA A 81 18.567 4.764 -4.334 1.00 0.00 C ATOM 1151 O ALA A 81 18.794 5.907 -4.729 1.00 0.00 O ATOM 1152 CB ALA A 81 17.518 3.582 -6.326 1.00 0.00 C ATOM 0 H ALA A 81 17.789 1.764 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 81 19.589 3.666 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.545 4.512 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.640 2.738 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.560 3.499 -5.812 1.00 0.00 H new ATOM 1158 N CYS A 82 18.241 4.451 -3.089 1.00 0.00 N ATOM 1159 CA CYS A 82 18.125 5.476 -2.065 1.00 0.00 C ATOM 1160 C CYS A 82 19.534 5.882 -1.629 1.00 0.00 C ATOM 1161 O CYS A 82 19.980 6.992 -1.915 1.00 0.00 O ATOM 1162 CB CYS A 82 17.276 5.001 -0.884 1.00 0.00 C ATOM 1163 SG CYS A 82 16.318 6.402 -0.198 1.00 0.00 S ATOM 0 H CYS A 82 18.053 3.502 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 82 17.609 6.345 -2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 82 16.599 4.210 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 82 17.917 4.576 -0.112 1.00 0.00 H new ATOM 0 HG CYS A 82 15.599 5.987 0.803 1.00 0.00 H new ATOM 1169 N ALA A 83 20.196 4.961 -0.944 1.00 0.00 N ATOM 1170 CA ALA A 83 21.545 5.210 -0.466 1.00 0.00 C ATOM 1171 C ALA A 83 22.418 5.672 -1.635 1.00 0.00 C ATOM 1172 O ALA A 83 23.445 6.318 -1.429 1.00 0.00 O ATOM 1173 CB ALA A 83 22.090 3.947 0.205 1.00 0.00 C ATOM 0 H ALA A 83 19.823 4.041 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 83 21.547 6.003 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.102 4.133 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.451 3.677 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.105 3.130 -0.516 1.00 0.00 H new ATOM 1179 N GLN A 84 21.979 5.323 -2.835 1.00 0.00 N ATOM 1180 CA GLN A 84 22.707 5.694 -4.036 1.00 0.00 C ATOM 1181 C GLN A 84 22.855 7.214 -4.119 1.00 0.00 C ATOM 1182 O GLN A 84 23.818 7.717 -4.696 1.00 0.00 O ATOM 1183 CB GLN A 84 22.021 5.141 -5.286 1.00 0.00 C ATOM 1184 CG GLN A 84 22.408 3.680 -5.524 1.00 0.00 C ATOM 1185 CD GLN A 84 23.302 3.543 -6.758 1.00 0.00 C ATOM 1186 OE1 GLN A 84 23.566 4.495 -7.473 1.00 0.00 O ATOM 1187 NE2 GLN A 84 23.752 2.309 -6.967 1.00 0.00 N ATOM 0 H GLN A 84 21.127 4.787 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 84 23.703 5.254 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 84 20.939 5.221 -5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.299 5.740 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 84 22.928 3.291 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.508 3.078 -5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 84 23.493 1.557 -6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 84 24.357 2.115 -7.765 1.00 0.00 H new ATOM 1196 N ASN A 85 21.888 7.904 -3.532 1.00 0.00 N ATOM 1197 CA ASN A 85 21.898 9.357 -3.532 1.00 0.00 C ATOM 1198 C ASN A 85 22.419 9.859 -2.184 1.00 0.00 C ATOM 1199 O ASN A 85 22.753 11.034 -2.043 1.00 0.00 O ATOM 1200 CB ASN A 85 20.489 9.918 -3.734 1.00 0.00 C ATOM 1201 CG ASN A 85 20.453 11.422 -3.455 1.00 0.00 C ATOM 1202 OD1 ASN A 85 20.521 11.871 -2.323 1.00 0.00 O ATOM 1203 ND2 ASN A 85 20.341 12.172 -4.547 1.00 0.00 N ATOM 0 H ASN A 85 21.092 7.483 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 85 22.538 9.690 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 85 20.160 9.726 -4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 85 19.791 9.405 -3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 85 20.307 13.188 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 85 20.289 11.731 -5.465 1.00 0.00 H new ATOM 1210 N GLY A 86 22.472 8.943 -1.228 1.00 0.00 N ATOM 1211 CA GLY A 86 22.946 9.278 0.104 1.00 0.00 C ATOM 1212 C GLY A 86 21.777 9.449 1.075 1.00 0.00 C ATOM 1213 O GLY A 86 21.948 9.981 2.171 1.00 0.00 O ATOM 0 H GLY A 86 22.194 7.969 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.611 8.494 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.529 10.198 0.066 1.00 0.00 H new ATOM 1217 N LEU A 87 20.614 8.988 0.639 1.00 0.00 N ATOM 1218 CA LEU A 87 19.417 9.083 1.456 1.00 0.00 C ATOM 1219 C LEU A 87 19.444 7.986 2.523 1.00 0.00 C ATOM 1220 O LEU A 87 20.388 7.200 2.585 1.00 0.00 O ATOM 1221 CB LEU A 87 18.165 9.055 0.578 1.00 0.00 C ATOM 1222 CG LEU A 87 17.941 10.280 -0.311 1.00 0.00 C ATOM 1223 CD1 LEU A 87 16.817 10.029 -1.318 1.00 0.00 C ATOM 1224 CD2 LEU A 87 17.686 11.531 0.533 1.00 0.00 C ATOM 0 H LEU A 87 20.475 8.547 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 87 19.389 10.038 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.212 8.172 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.295 8.936 1.224 1.00 0.00 H new ATOM 0 HG LEU A 87 18.852 10.458 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.679 10.915 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.078 9.181 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.892 9.811 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 87 17.530 12.387 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.800 11.380 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.547 11.718 1.175 1.00 0.00 H new ATOM 1236 N GLU A 88 18.398 7.969 3.335 1.00 0.00 N ATOM 1237 CA GLU A 88 18.290 6.982 4.396 1.00 0.00 C ATOM 1238 C GLU A 88 18.295 5.569 3.809 1.00 0.00 C ATOM 1239 O GLU A 88 18.190 5.397 2.595 1.00 0.00 O ATOM 1240 CB GLU A 88 17.038 7.220 5.241 1.00 0.00 C ATOM 1241 CG GLU A 88 17.336 7.029 6.730 1.00 0.00 C ATOM 1242 CD GLU A 88 16.919 8.262 7.535 1.00 0.00 C ATOM 1243 OE1 GLU A 88 16.968 9.387 7.016 1.00 0.00 O ATOM 1244 OE2 GLU A 88 16.532 8.019 8.742 1.00 0.00 O ATOM 0 H GLU A 88 17.617 8.623 3.280 1.00 0.00 H new ATOM 0 HA GLU A 88 19.155 7.085 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.665 8.229 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.251 6.532 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.806 6.152 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.401 6.841 6.870 1.00 0.00 H new ATOM 1252 N VAL A 89 18.418 4.594 4.697 1.00 0.00 N ATOM 1253 CA VAL A 89 18.438 3.201 4.282 1.00 0.00 C ATOM 1254 C VAL A 89 17.165 2.509 4.772 1.00 0.00 C ATOM 1255 O VAL A 89 16.874 1.382 4.374 1.00 0.00 O ATOM 1256 CB VAL A 89 19.717 2.525 4.782 1.00 0.00 C ATOM 1257 CG1 VAL A 89 19.866 1.125 4.183 1.00 0.00 C ATOM 1258 CG2 VAL A 89 20.946 3.384 4.480 1.00 0.00 C ATOM 0 H VAL A 89 18.505 4.741 5.703 1.00 0.00 H new ATOM 0 HA VAL A 89 18.450 3.126 3.195 1.00 0.00 H new ATOM 0 HB VAL A 89 19.640 2.421 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 89 20.782 0.666 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.011 0.513 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.910 1.197 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.841 2.880 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.029 3.535 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.845 4.350 4.975 1.00 0.00 H new ATOM 1268 N SER A 90 16.439 3.213 5.629 1.00 0.00 N ATOM 1269 CA SER A 90 15.204 2.680 6.177 1.00 0.00 C ATOM 1270 C SER A 90 14.013 3.157 5.343 1.00 0.00 C ATOM 1271 O SER A 90 14.061 4.228 4.741 1.00 0.00 O ATOM 1272 CB SER A 90 15.027 3.094 7.640 1.00 0.00 C ATOM 1273 OG SER A 90 16.171 2.774 8.427 1.00 0.00 O ATOM 0 H SER A 90 16.683 4.148 5.957 1.00 0.00 H new ATOM 0 HA SER A 90 15.254 1.592 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.839 4.166 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.151 2.596 8.054 1.00 0.00 H new ATOM 0 HG SER A 90 16.020 3.055 9.354 1.00 0.00 H new ATOM 1279 N LEU A 91 12.971 2.338 5.335 1.00 0.00 N ATOM 1280 CA LEU A 91 11.770 2.663 4.585 1.00 0.00 C ATOM 1281 C LEU A 91 11.178 3.969 5.119 1.00 0.00 C ATOM 1282 O LEU A 91 10.498 4.690 4.391 1.00 0.00 O ATOM 1283 CB LEU A 91 10.790 1.488 4.609 1.00 0.00 C ATOM 1284 CG LEU A 91 10.850 0.540 3.410 1.00 0.00 C ATOM 1285 CD1 LEU A 91 10.075 -0.749 3.690 1.00 0.00 C ATOM 1286 CD2 LEU A 91 10.364 1.235 2.136 1.00 0.00 C ATOM 0 H LEU A 91 12.934 1.450 5.836 1.00 0.00 H new ATOM 0 HA LEU A 91 12.009 2.828 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.970 0.909 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 91 9.778 1.886 4.682 1.00 0.00 H new ATOM 0 HG LEU A 91 11.891 0.261 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.134 -1.405 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.507 -1.253 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.031 -0.509 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.417 0.539 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.333 1.563 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.995 2.099 1.930 1.00 0.00 H new ATOM 1298 N SER A 92 11.458 4.233 6.387 1.00 0.00 N ATOM 1299 CA SER A 92 10.961 5.440 7.027 1.00 0.00 C ATOM 1300 C SER A 92 11.338 6.667 6.194 1.00 0.00 C ATOM 1301 O SER A 92 10.721 7.723 6.324 1.00 0.00 O ATOM 1302 CB SER A 92 11.509 5.574 8.449 1.00 0.00 C ATOM 1303 OG SER A 92 11.208 4.433 9.247 1.00 0.00 O ATOM 0 H SER A 92 12.022 3.632 6.988 1.00 0.00 H new ATOM 0 HA SER A 92 9.875 5.372 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.589 5.714 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.089 6.464 8.917 1.00 0.00 H new ATOM 0 HG SER A 92 11.576 4.557 10.147 1.00 0.00 H new ATOM 1309 N SER A 93 12.350 6.487 5.358 1.00 0.00 N ATOM 1310 CA SER A 93 12.816 7.566 4.504 1.00 0.00 C ATOM 1311 C SER A 93 12.700 7.158 3.034 1.00 0.00 C ATOM 1312 O SER A 93 13.514 7.565 2.207 1.00 0.00 O ATOM 1313 CB SER A 93 14.261 7.946 4.837 1.00 0.00 C ATOM 1314 OG SER A 93 14.393 9.333 5.136 1.00 0.00 O ATOM 0 H SER A 93 12.860 5.610 5.254 1.00 0.00 H new ATOM 0 HA SER A 93 12.188 8.439 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.604 7.357 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.905 7.694 3.995 1.00 0.00 H new ATOM 0 HG SER A 93 15.073 9.455 5.831 1.00 0.00 H new ATOM 1320 N LEU A 94 11.680 6.360 2.754 1.00 0.00 N ATOM 1321 CA LEU A 94 11.447 5.893 1.398 1.00 0.00 C ATOM 1322 C LEU A 94 10.173 6.541 0.853 1.00 0.00 C ATOM 1323 O LEU A 94 9.567 7.382 1.515 1.00 0.00 O ATOM 1324 CB LEU A 94 11.425 4.363 1.354 1.00 0.00 C ATOM 1325 CG LEU A 94 12.766 3.682 1.076 1.00 0.00 C ATOM 1326 CD1 LEU A 94 13.277 4.027 -0.325 1.00 0.00 C ATOM 1327 CD2 LEU A 94 13.791 4.023 2.160 1.00 0.00 C ATOM 0 H LEU A 94 11.006 6.025 3.443 1.00 0.00 H new ATOM 0 HA LEU A 94 12.265 6.196 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.045 3.997 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.716 4.051 0.587 1.00 0.00 H new ATOM 0 HG LEU A 94 12.613 2.603 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 94 14.232 3.530 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.554 3.691 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 94 13.409 5.106 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 94 14.735 3.526 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 94 13.947 5.101 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 94 13.422 3.685 3.129 1.00 0.00 H new ATOM 1339 N SER A 95 9.804 6.125 -0.350 1.00 0.00 N ATOM 1340 CA SER A 95 8.613 6.655 -0.992 1.00 0.00 C ATOM 1341 C SER A 95 8.852 8.103 -1.425 1.00 0.00 C ATOM 1342 O SER A 95 7.951 8.937 -1.341 1.00 0.00 O ATOM 1343 CB SER A 95 7.402 6.573 -0.061 1.00 0.00 C ATOM 1344 OG SER A 95 7.286 7.726 0.768 1.00 0.00 O ATOM 0 H SER A 95 10.309 5.427 -0.897 1.00 0.00 H new ATOM 0 HA SER A 95 8.402 6.049 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.495 6.461 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.485 5.684 0.564 1.00 0.00 H new ATOM 0 HG SER A 95 8.036 7.752 1.398 1.00 0.00 H new ATOM 1350 N LEU A 96 10.071 8.359 -1.878 1.00 0.00 N ATOM 1351 CA LEU A 96 10.440 9.692 -2.323 1.00 0.00 C ATOM 1352 C LEU A 96 10.819 9.643 -3.805 1.00 0.00 C ATOM 1353 O LEU A 96 10.479 8.690 -4.505 1.00 0.00 O ATOM 1354 CB LEU A 96 11.535 10.272 -1.427 1.00 0.00 C ATOM 1355 CG LEU A 96 11.591 9.729 0.002 1.00 0.00 C ATOM 1356 CD1 LEU A 96 12.970 9.957 0.623 1.00 0.00 C ATOM 1357 CD2 LEU A 96 10.471 10.324 0.859 1.00 0.00 C ATOM 0 H LEU A 96 10.816 7.665 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 96 9.593 10.372 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.499 10.090 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.403 11.353 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 96 11.430 8.652 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.982 9.561 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.726 9.447 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.186 11.025 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.534 9.921 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.576 11.408 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.505 10.066 0.425 1.00 0.00 H new ATOM 1369 N ALA A 97 11.517 10.682 -4.238 1.00 0.00 N ATOM 1370 CA ALA A 97 11.946 10.769 -5.624 1.00 0.00 C ATOM 1371 C ALA A 97 13.435 10.430 -5.715 1.00 0.00 C ATOM 1372 O ALA A 97 14.245 11.271 -6.101 1.00 0.00 O ATOM 1373 CB ALA A 97 11.632 12.164 -6.169 1.00 0.00 C ATOM 0 H ALA A 97 11.796 11.471 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 97 11.406 10.049 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.954 12.229 -7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.559 12.345 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.160 12.913 -5.578 1.00 0.00 H new ATOM 1379 N VAL A 98 13.751 9.195 -5.352 1.00 0.00 N ATOM 1380 CA VAL A 98 15.129 8.734 -5.388 1.00 0.00 C ATOM 1381 C VAL A 98 15.553 8.522 -6.843 1.00 0.00 C ATOM 1382 O VAL A 98 14.715 8.277 -7.708 1.00 0.00 O ATOM 1383 CB VAL A 98 15.282 7.476 -4.531 1.00 0.00 C ATOM 1384 CG1 VAL A 98 14.670 7.680 -3.144 1.00 0.00 C ATOM 1385 CG2 VAL A 98 14.669 6.260 -5.227 1.00 0.00 C ATOM 0 H VAL A 98 13.077 8.500 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 98 15.795 9.484 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 98 16.348 7.286 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.792 6.771 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 98 15.172 8.507 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.609 7.907 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 98 14.792 5.380 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 98 13.608 6.437 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.170 6.096 -6.181 1.00 0.00 H new ATOM 1395 N PRO A 99 16.890 8.626 -7.072 1.00 0.00 N ATOM 1396 CA PRO A 99 17.436 8.448 -8.407 1.00 0.00 C ATOM 1397 C PRO A 99 17.448 6.970 -8.802 1.00 0.00 C ATOM 1398 O PRO A 99 17.127 6.104 -7.990 1.00 0.00 O ATOM 1399 CB PRO A 99 18.827 9.059 -8.348 1.00 0.00 C ATOM 1400 CG PRO A 99 19.185 9.137 -6.873 1.00 0.00 C ATOM 1401 CD PRO A 99 17.913 8.915 -6.071 1.00 0.00 C ATOM 0 HA PRO A 99 16.835 8.934 -9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.546 8.447 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.839 10.048 -8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.931 8.383 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.620 10.108 -6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.026 8.088 -5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 99 17.655 9.797 -5.485 1.00 0.00 H new ATOM 1409 N PRO A 100 17.832 6.720 -10.082 1.00 0.00 N ATOM 1410 CA PRO A 100 17.891 5.362 -10.595 1.00 0.00 C ATOM 1411 C PRO A 100 19.112 4.622 -10.047 1.00 0.00 C ATOM 1412 O PRO A 100 20.169 5.220 -9.852 1.00 0.00 O ATOM 1413 CB PRO A 100 17.916 5.513 -12.107 1.00 0.00 C ATOM 1414 CG PRO A 100 18.339 6.948 -12.376 1.00 0.00 C ATOM 1415 CD PRO A 100 18.220 7.721 -11.073 1.00 0.00 C ATOM 0 HA PRO A 100 17.040 4.757 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.615 4.809 -12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 100 16.935 5.308 -12.536 1.00 0.00 H new ATOM 0 HG2 PRO A 100 19.363 6.981 -12.747 1.00 0.00 H new ATOM 0 HG3 PRO A 100 17.707 7.395 -13.144 1.00 0.00 H new ATOM 0 HD2 PRO A 100 19.164 8.196 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 100 17.475 8.513 -11.149 1.00 0.00 H new ATOM 1423 N PRO A 101 18.922 3.296 -9.810 1.00 0.00 N ATOM 1424 CA PRO A 101 19.996 2.468 -9.289 1.00 0.00 C ATOM 1425 C PRO A 101 21.028 2.160 -10.376 1.00 0.00 C ATOM 1426 O PRO A 101 21.048 2.810 -11.420 1.00 0.00 O ATOM 1427 CB PRO A 101 19.308 1.222 -8.754 1.00 0.00 C ATOM 1428 CG PRO A 101 17.937 1.190 -9.408 1.00 0.00 C ATOM 1429 CD PRO A 101 17.685 2.554 -10.030 1.00 0.00 C ATOM 0 HA PRO A 101 20.564 2.963 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 101 19.878 0.326 -8.998 1.00 0.00 H new ATOM 0 HB3 PRO A 101 19.222 1.259 -7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 101 17.895 0.410 -10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 101 17.168 0.959 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 101 17.458 2.469 -11.093 1.00 0.00 H new ATOM 0 HD3 PRO A 101 16.836 3.052 -9.562 1.00 0.00 H new ATOM 1437 N ARG A 102 21.860 1.168 -10.093 1.00 0.00 N ATOM 1438 CA ARG A 102 22.892 0.767 -11.034 1.00 0.00 C ATOM 1439 C ARG A 102 22.446 -0.471 -11.815 1.00 0.00 C ATOM 1440 O ARG A 102 22.833 -0.655 -12.968 1.00 0.00 O ATOM 1441 CB ARG A 102 24.206 0.459 -10.312 1.00 0.00 C ATOM 1442 CG ARG A 102 25.404 0.978 -11.110 1.00 0.00 C ATOM 1443 CD ARG A 102 25.667 0.103 -12.337 1.00 0.00 C ATOM 1444 NE ARG A 102 25.374 0.862 -13.573 1.00 0.00 N ATOM 1445 CZ ARG A 102 25.699 0.443 -14.814 1.00 0.00 C ATOM 1446 NH1 ARG A 102 26.332 -0.736 -14.995 1.00 0.00 N ATOM 1447 NH2 ARG A 102 25.388 1.202 -15.848 1.00 0.00 N ATOM 0 H ARG A 102 21.840 0.631 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 102 23.054 1.597 -11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 102 24.198 0.917 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.301 -0.617 -10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.218 2.005 -11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 102 26.289 0.994 -10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 102 26.705 -0.228 -12.342 1.00 0.00 H new ATOM 0 HD3 ARG A 102 25.047 -0.792 -12.295 1.00 0.00 H new ATOM 0 HE ARG A 102 24.896 1.758 -13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 102 26.568 -1.317 -14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 102 26.574 -1.046 -15.936 1.00 0.00 H new ATOM 0 HH21 ARG A 102 24.909 2.091 -15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 102 25.627 0.900 -16.793 1.00 0.00 H new ATOM 1460 N PHE A 103 21.637 -1.288 -11.156 1.00 0.00 N ATOM 1461 CA PHE A 103 21.134 -2.503 -11.774 1.00 0.00 C ATOM 1462 C PHE A 103 20.792 -2.267 -13.247 1.00 0.00 C ATOM 1463 O PHE A 103 20.620 -1.126 -13.673 1.00 0.00 O ATOM 1464 CB PHE A 103 19.860 -2.892 -11.022 1.00 0.00 C ATOM 1465 CG PHE A 103 19.994 -2.836 -9.499 1.00 0.00 C ATOM 1466 CD1 PHE A 103 20.844 -3.684 -8.860 1.00 0.00 C ATOM 1467 CD2 PHE A 103 19.264 -1.939 -8.785 1.00 0.00 C ATOM 1468 CE1 PHE A 103 20.969 -3.632 -7.446 1.00 0.00 C ATOM 1469 CE2 PHE A 103 19.389 -1.887 -7.371 1.00 0.00 C ATOM 1470 CZ PHE A 103 20.238 -2.735 -6.732 1.00 0.00 C ATOM 0 H PHE A 103 21.317 -1.132 -10.200 1.00 0.00 H new ATOM 0 HA PHE A 103 21.890 -3.287 -11.726 1.00 0.00 H new ATOM 0 HB2 PHE A 103 19.052 -2.228 -11.330 1.00 0.00 H new ATOM 0 HB3 PHE A 103 19.572 -3.902 -11.314 1.00 0.00 H new ATOM 0 HD1 PHE A 103 21.424 -4.397 -9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 103 18.589 -1.266 -9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 103 21.644 -4.305 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 103 18.810 -1.174 -6.804 1.00 0.00 H new ATOM 0 HZ PHE A 103 20.332 -2.696 -5.657 1.00 0.00 H new ATOM 1480 N HIS A 104 20.703 -3.365 -13.983 1.00 0.00 N ATOM 1481 CA HIS A 104 20.384 -3.292 -15.399 1.00 0.00 C ATOM 1482 C HIS A 104 18.956 -2.773 -15.578 1.00 0.00 C ATOM 1483 O HIS A 104 18.058 -3.143 -14.823 1.00 0.00 O ATOM 1484 CB HIS A 104 20.613 -4.644 -16.078 1.00 0.00 C ATOM 1485 CG HIS A 104 21.712 -5.468 -15.450 1.00 0.00 C ATOM 1486 ND1 HIS A 104 21.495 -6.311 -14.374 1.00 0.00 N ATOM 1487 CD2 HIS A 104 23.036 -5.571 -15.759 1.00 0.00 C ATOM 1488 CE1 HIS A 104 22.645 -6.889 -14.058 1.00 0.00 C ATOM 1489 NE2 HIS A 104 23.599 -6.428 -14.917 1.00 0.00 N ATOM 0 H HIS A 104 20.846 -4.310 -13.626 1.00 0.00 H new ATOM 0 HA HIS A 104 21.054 -2.586 -15.890 1.00 0.00 H new ATOM 0 HB2 HIS A 104 19.685 -5.214 -16.051 1.00 0.00 H new ATOM 0 HB3 HIS A 104 20.854 -4.476 -17.128 1.00 0.00 H new ATOM 0 HD2 HIS A 104 23.541 -5.044 -16.555 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.800 -7.600 -13.260 1.00 0.00 H new ATOM 0 HE2 HIS A 104 24.583 -6.698 -14.913 1.00 0.00 H new ATOM 1497 N ASP A 105 18.791 -1.923 -16.581 1.00 0.00 N ATOM 1498 CA ASP A 105 17.487 -1.349 -16.868 1.00 0.00 C ATOM 1499 C ASP A 105 17.556 -0.570 -18.183 1.00 0.00 C ATOM 1500 O ASP A 105 18.177 -1.021 -19.144 1.00 0.00 O ATOM 1501 CB ASP A 105 17.057 -0.380 -15.765 1.00 0.00 C ATOM 1502 CG ASP A 105 15.710 -0.698 -15.114 1.00 0.00 C ATOM 1503 OD1 ASP A 105 14.959 -1.562 -15.589 1.00 0.00 O ATOM 1504 OD2 ASP A 105 15.437 -0.005 -14.060 1.00 0.00 O ATOM 0 H ASP A 105 19.538 -1.618 -17.205 1.00 0.00 H new ATOM 0 HA ASP A 105 16.766 -2.164 -16.932 1.00 0.00 H new ATOM 0 HB2 ASP A 105 17.824 -0.371 -14.991 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.013 0.626 -16.183 1.00 0.00 H new