USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.36! K(o=-3.4!,f=-1.7) USER MOD Single : A 22 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 26 LYS NZ :NH3+ 164:sc=-0.00717 (180deg=-0.195) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -44:sc= 0.5 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.415 (180deg=-1.09) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.885 (180deg=-1.45) USER MOD Single : A 42 SER OG : rot 5:sc= 0.049! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0512 K(o=-0.051,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 92:sc= 0.368 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00756 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0577 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.62! USER MOD Single : A 73 SER OG : rot 83:sc= 0.124 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.272 (180deg=-1.33!) USER MOD Single : A 76 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.468 13.480 -0.907 1.00 0.00 N ATOM 27 CA VAL A 3 0.764 12.651 0.109 1.00 0.00 C ATOM 28 C VAL A 3 0.412 11.268 -0.454 1.00 0.00 C ATOM 29 O VAL A 3 0.021 10.389 0.287 1.00 0.00 O ATOM 30 CB VAL A 3 -0.545 13.375 0.515 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.284 14.877 0.628 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.664 13.144 -0.517 1.00 0.00 C ATOM 0 HA VAL A 3 1.420 12.517 0.969 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.867 12.967 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.205 15.386 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.480 15.058 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.059 15.260 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.566 13.667 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.348 13.525 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.872 12.077 -0.596 1.00 0.00 H new ATOM 42 N TYR A 4 0.475 11.058 -1.748 1.00 0.00 N ATOM 43 CA TYR A 4 0.049 9.724 -2.274 1.00 0.00 C ATOM 44 C TYR A 4 1.103 8.654 -1.952 1.00 0.00 C ATOM 45 O TYR A 4 0.796 7.601 -1.429 1.00 0.00 O ATOM 46 CB TYR A 4 -0.239 9.827 -3.777 1.00 0.00 C ATOM 47 CG TYR A 4 -1.688 10.202 -4.010 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.697 9.271 -3.742 1.00 0.00 C ATOM 49 CD2 TYR A 4 -2.020 11.470 -4.505 1.00 0.00 C ATOM 50 CE1 TYR A 4 -4.036 9.605 -3.965 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.361 11.805 -4.726 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.369 10.872 -4.457 1.00 0.00 C ATOM 53 OH TYR A 4 -5.691 11.201 -4.678 1.00 0.00 O ATOM 0 H TYR A 4 0.793 11.732 -2.445 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.873 9.415 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.414 10.573 -4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.020 8.876 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.441 8.293 -3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.242 12.188 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.814 8.885 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.618 12.783 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.747 12.118 -5.019 1.00 0.00 H new ATOM 63 N CYS A 5 2.344 8.923 -2.261 1.00 0.00 N ATOM 64 CA CYS A 5 3.418 7.929 -1.970 1.00 0.00 C ATOM 65 C CYS A 5 3.369 7.589 -0.474 1.00 0.00 C ATOM 66 O CYS A 5 3.493 6.441 -0.094 1.00 0.00 O ATOM 67 CB CYS A 5 4.783 8.525 -2.314 1.00 0.00 C ATOM 68 SG CYS A 5 4.998 8.497 -4.102 1.00 0.00 S ATOM 0 H CYS A 5 2.660 9.787 -2.702 1.00 0.00 H new ATOM 0 HA CYS A 5 3.266 7.030 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.853 9.547 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.576 7.955 -1.830 1.00 0.00 H new ATOM 73 N GLU A 6 3.207 8.558 0.381 1.00 0.00 N ATOM 74 CA GLU A 6 3.176 8.256 1.840 1.00 0.00 C ATOM 75 C GLU A 6 2.091 7.217 2.147 1.00 0.00 C ATOM 76 O GLU A 6 2.285 6.333 2.957 1.00 0.00 O ATOM 77 CB GLU A 6 2.893 9.542 2.619 1.00 0.00 C ATOM 78 CG GLU A 6 3.135 9.301 4.110 1.00 0.00 C ATOM 79 CD GLU A 6 4.636 9.153 4.366 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.293 10.170 4.519 1.00 0.00 O ATOM 81 OE2 GLU A 6 5.103 8.026 4.404 1.00 0.00 O ATOM 0 H GLU A 6 3.095 9.542 0.136 1.00 0.00 H new ATOM 0 HA GLU A 6 4.143 7.851 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.537 10.345 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.864 9.860 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.736 10.131 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.610 8.403 4.434 1.00 0.00 H new ATOM 88 N VAL A 7 0.945 7.325 1.534 1.00 0.00 N ATOM 89 CA VAL A 7 -0.146 6.348 1.830 1.00 0.00 C ATOM 90 C VAL A 7 0.166 4.958 1.240 1.00 0.00 C ATOM 91 O VAL A 7 -0.093 3.953 1.870 1.00 0.00 O ATOM 92 CB VAL A 7 -1.482 6.876 1.285 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.568 5.816 1.489 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.877 8.186 2.010 1.00 0.00 C ATOM 0 H VAL A 7 0.715 8.041 0.845 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.219 6.237 2.912 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.376 7.087 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.517 6.188 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.292 4.905 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.669 5.599 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.825 8.549 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.979 7.994 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.105 8.938 1.849 1.00 0.00 H new ATOM 104 N CYS A 8 0.718 4.873 0.053 1.00 0.00 N ATOM 105 CA CYS A 8 1.027 3.523 -0.521 1.00 0.00 C ATOM 106 C CYS A 8 1.993 2.786 0.401 1.00 0.00 C ATOM 107 O CYS A 8 1.822 1.614 0.672 1.00 0.00 O ATOM 108 CB CYS A 8 1.649 3.690 -1.909 1.00 0.00 C ATOM 109 SG CYS A 8 2.240 2.088 -2.525 1.00 0.00 S ATOM 0 H CYS A 8 0.965 5.667 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 8 0.108 2.943 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.913 4.104 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.476 4.398 -1.862 1.00 0.00 H new ATOM 114 N GLU A 9 3.004 3.447 0.895 1.00 0.00 N ATOM 115 CA GLU A 9 3.951 2.749 1.797 1.00 0.00 C ATOM 116 C GLU A 9 3.231 2.423 3.104 1.00 0.00 C ATOM 117 O GLU A 9 3.535 1.439 3.749 1.00 0.00 O ATOM 118 CB GLU A 9 5.159 3.664 2.089 1.00 0.00 C ATOM 119 CG GLU A 9 6.242 3.471 1.023 1.00 0.00 C ATOM 120 CD GLU A 9 7.347 4.510 1.225 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.016 5.657 1.474 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.506 4.139 1.128 1.00 0.00 O ATOM 0 H GLU A 9 3.211 4.429 0.713 1.00 0.00 H new ATOM 0 HA GLU A 9 4.304 1.832 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.839 4.706 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.565 3.438 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.657 2.465 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.810 3.573 0.028 1.00 0.00 H new ATOM 129 N PHE A 10 2.275 3.218 3.515 1.00 0.00 N ATOM 130 CA PHE A 10 1.576 2.890 4.784 1.00 0.00 C ATOM 131 C PHE A 10 0.733 1.619 4.600 1.00 0.00 C ATOM 132 O PHE A 10 0.789 0.710 5.404 1.00 0.00 O ATOM 133 CB PHE A 10 0.669 4.042 5.209 1.00 0.00 C ATOM 134 CG PHE A 10 0.000 3.659 6.501 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.683 3.814 7.712 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.291 3.121 6.487 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.073 3.436 8.912 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.902 2.739 7.688 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.219 2.897 8.900 1.00 0.00 C ATOM 0 H PHE A 10 1.957 4.061 3.036 1.00 0.00 H new ATOM 0 HA PHE A 10 2.325 2.725 5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.249 4.956 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.076 4.243 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.681 4.226 7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.816 3.000 5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.598 3.560 9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.899 2.323 7.679 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.689 2.603 9.827 1.00 0.00 H new ATOM 149 N LEU A 11 -0.040 1.536 3.544 1.00 0.00 N ATOM 150 CA LEU A 11 -0.863 0.307 3.325 1.00 0.00 C ATOM 151 C LEU A 11 0.067 -0.893 3.166 1.00 0.00 C ATOM 152 O LEU A 11 -0.173 -1.946 3.723 1.00 0.00 O ATOM 153 CB LEU A 11 -1.717 0.445 2.052 1.00 0.00 C ATOM 154 CG LEU A 11 -2.811 1.512 2.256 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.308 2.008 0.894 1.00 0.00 C ATOM 156 CD2 LEU A 11 -4.002 0.924 3.029 1.00 0.00 C ATOM 0 H LEU A 11 -0.136 2.259 2.831 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.523 0.170 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.084 0.720 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.175 -0.513 1.807 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.383 2.337 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.081 2.762 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.477 2.444 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.720 1.171 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.764 1.692 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.423 0.089 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.665 0.573 4.004 1.00 0.00 H new ATOM 168 N VAL A 12 1.128 -0.757 2.421 1.00 0.00 N ATOM 169 CA VAL A 12 2.058 -1.902 2.244 1.00 0.00 C ATOM 170 C VAL A 12 2.599 -2.335 3.619 1.00 0.00 C ATOM 171 O VAL A 12 2.629 -3.502 3.943 1.00 0.00 O ATOM 172 CB VAL A 12 3.212 -1.449 1.329 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.436 -2.352 1.503 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.754 -1.506 -0.132 1.00 0.00 C ATOM 0 H VAL A 12 1.390 0.097 1.928 1.00 0.00 H new ATOM 0 HA VAL A 12 1.545 -2.750 1.791 1.00 0.00 H new ATOM 0 HB VAL A 12 3.487 -0.430 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.236 -2.011 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.774 -2.311 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.170 -3.378 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.569 -1.186 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.469 -2.527 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.898 -0.845 -0.271 1.00 0.00 H new ATOM 184 N LYS A 13 3.021 -1.391 4.423 1.00 0.00 N ATOM 185 CA LYS A 13 3.566 -1.723 5.777 1.00 0.00 C ATOM 186 C LYS A 13 2.511 -2.487 6.587 1.00 0.00 C ATOM 187 O LYS A 13 2.808 -3.452 7.268 1.00 0.00 O ATOM 188 CB LYS A 13 3.917 -0.405 6.493 1.00 0.00 C ATOM 189 CG LYS A 13 4.508 -0.665 7.896 1.00 0.00 C ATOM 190 CD LYS A 13 6.025 -0.932 7.800 1.00 0.00 C ATOM 191 CE LYS A 13 6.798 0.393 7.812 1.00 0.00 C ATOM 192 NZ LYS A 13 8.261 0.112 7.807 1.00 0.00 N ATOM 0 H LYS A 13 3.011 -0.396 4.198 1.00 0.00 H new ATOM 0 HA LYS A 13 4.454 -2.347 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.633 0.157 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.023 0.212 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.324 0.195 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.010 -1.519 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.345 -1.556 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.248 -1.483 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.529 0.992 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.531 0.975 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.787 1.009 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.511 -0.443 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.508 -0.426 6.952 1.00 0.00 H new ATOM 206 N GLU A 14 1.289 -2.047 6.533 1.00 0.00 N ATOM 207 CA GLU A 14 0.218 -2.722 7.317 1.00 0.00 C ATOM 208 C GLU A 14 -0.124 -4.068 6.695 1.00 0.00 C ATOM 209 O GLU A 14 -0.386 -5.026 7.394 1.00 0.00 O ATOM 210 CB GLU A 14 -1.039 -1.852 7.332 1.00 0.00 C ATOM 211 CG GLU A 14 -0.841 -0.641 8.250 1.00 0.00 C ATOM 212 CD GLU A 14 -2.205 -0.043 8.596 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.057 -0.016 7.722 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.380 0.366 9.729 1.00 0.00 O ATOM 0 H GLU A 14 0.983 -1.247 5.979 1.00 0.00 H new ATOM 0 HA GLU A 14 0.578 -2.874 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.268 -1.516 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.891 -2.439 7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.321 -0.941 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.218 0.105 7.758 1.00 0.00 H new ATOM 221 N VAL A 15 -0.144 -4.166 5.401 1.00 0.00 N ATOM 222 CA VAL A 15 -0.500 -5.467 4.790 1.00 0.00 C ATOM 223 C VAL A 15 0.570 -6.512 5.120 1.00 0.00 C ATOM 224 O VAL A 15 0.254 -7.647 5.390 1.00 0.00 O ATOM 225 CB VAL A 15 -0.658 -5.306 3.266 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.605 -6.677 2.575 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.007 -4.648 2.964 1.00 0.00 C ATOM 0 H VAL A 15 0.068 -3.412 4.747 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.450 -5.809 5.200 1.00 0.00 H new ATOM 0 HB VAL A 15 0.156 -4.685 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.718 -6.547 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.353 -7.153 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.412 -7.305 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.122 -4.532 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.812 -5.274 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.049 -3.669 3.440 1.00 0.00 H new ATOM 237 N THR A 16 1.833 -6.179 5.076 1.00 0.00 N ATOM 238 CA THR A 16 2.830 -7.247 5.362 1.00 0.00 C ATOM 239 C THR A 16 2.700 -7.736 6.800 1.00 0.00 C ATOM 240 O THR A 16 2.795 -8.920 7.057 1.00 0.00 O ATOM 241 CB THR A 16 4.275 -6.812 5.118 1.00 0.00 C ATOM 242 OG1 THR A 16 4.819 -6.280 6.318 1.00 0.00 O ATOM 243 CG2 THR A 16 4.375 -5.764 4.005 1.00 0.00 C ATOM 0 H THR A 16 2.205 -5.253 4.864 1.00 0.00 H new ATOM 0 HA THR A 16 2.605 -8.052 4.663 1.00 0.00 H new ATOM 0 HB THR A 16 4.839 -7.690 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.746 -6.003 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.418 -5.482 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.982 -6.180 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.795 -4.883 4.281 1.00 0.00 H new ATOM 251 N LYS A 17 2.476 -6.868 7.748 1.00 0.00 N ATOM 252 CA LYS A 17 2.342 -7.384 9.134 1.00 0.00 C ATOM 253 C LYS A 17 1.132 -8.313 9.148 1.00 0.00 C ATOM 254 O LYS A 17 1.079 -9.295 9.862 1.00 0.00 O ATOM 255 CB LYS A 17 2.133 -6.236 10.137 1.00 0.00 C ATOM 256 CG LYS A 17 1.553 -6.804 11.445 1.00 0.00 C ATOM 257 CD LYS A 17 1.794 -5.844 12.605 1.00 0.00 C ATOM 258 CE LYS A 17 1.273 -6.491 13.894 1.00 0.00 C ATOM 259 NZ LYS A 17 1.780 -5.734 15.073 1.00 0.00 N ATOM 0 H LYS A 17 2.383 -5.859 7.629 1.00 0.00 H new ATOM 0 HA LYS A 17 3.251 -7.909 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.080 -5.732 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.456 -5.491 9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.484 -6.979 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.012 -7.768 11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.857 -5.621 12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.284 -4.897 12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.183 -6.498 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.598 -7.530 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.426 -6.174 15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.820 -5.749 15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.449 -4.750 15.022 1.00 0.00 H new ATOM 273 N LEU A 18 0.159 -7.989 8.344 1.00 0.00 N ATOM 274 CA LEU A 18 -1.071 -8.815 8.266 1.00 0.00 C ATOM 275 C LEU A 18 -0.709 -10.123 7.552 1.00 0.00 C ATOM 276 O LEU A 18 -1.179 -11.188 7.903 1.00 0.00 O ATOM 277 CB LEU A 18 -2.152 -8.043 7.483 1.00 0.00 C ATOM 278 CG LEU A 18 -2.743 -6.801 8.260 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.263 -6.926 8.386 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.179 -6.630 9.684 1.00 0.00 C ATOM 0 H LEU A 18 0.167 -7.175 7.730 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.463 -9.035 9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.728 -7.700 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.965 -8.726 7.237 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.452 -5.932 7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.656 -6.063 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.708 -6.968 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.509 -7.837 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.633 -5.757 10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.406 -7.518 10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.099 -6.495 9.634 1.00 0.00 H new ATOM 292 N ILE A 19 0.155 -10.048 6.576 1.00 0.00 N ATOM 293 CA ILE A 19 0.593 -11.278 5.859 1.00 0.00 C ATOM 294 C ILE A 19 1.473 -12.066 6.822 1.00 0.00 C ATOM 295 O ILE A 19 1.506 -13.280 6.812 1.00 0.00 O ATOM 296 CB ILE A 19 1.402 -10.891 4.607 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.456 -10.266 3.567 1.00 0.00 C ATOM 298 CG2 ILE A 19 2.075 -12.129 4.009 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.255 -9.761 2.360 1.00 0.00 C ATOM 0 H ILE A 19 0.578 -9.182 6.243 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.264 -11.872 5.541 1.00 0.00 H new ATOM 0 HB ILE A 19 2.172 -10.172 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.278 -11.003 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.097 -9.442 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.644 -11.842 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.747 -12.569 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.314 -12.858 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.574 -9.321 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.972 -9.008 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.788 -10.594 1.902 1.00 0.00 H new ATOM 311 N ASP A 20 2.190 -11.364 7.654 1.00 0.00 N ATOM 312 CA ASP A 20 3.084 -12.031 8.631 1.00 0.00 C ATOM 313 C ASP A 20 2.268 -12.611 9.789 1.00 0.00 C ATOM 314 O ASP A 20 2.707 -13.530 10.450 1.00 0.00 O ATOM 315 CB ASP A 20 4.084 -11.011 9.178 1.00 0.00 C ATOM 316 CG ASP A 20 4.798 -10.322 8.014 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.095 -10.997 7.043 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.036 -9.129 8.114 1.00 0.00 O ATOM 0 H ASP A 20 2.192 -10.345 7.696 1.00 0.00 H new ATOM 0 HA ASP A 20 3.614 -12.842 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.568 -10.272 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.810 -11.507 9.822 1.00 0.00 H new ATOM 323 N ASN A 21 1.088 -12.085 10.058 1.00 0.00 N ATOM 324 CA ASN A 21 0.285 -12.636 11.202 1.00 0.00 C ATOM 325 C ASN A 21 -0.579 -13.808 10.709 1.00 0.00 C ATOM 326 O ASN A 21 -1.275 -14.430 11.481 1.00 0.00 O ATOM 327 CB ASN A 21 -0.572 -11.543 11.847 1.00 0.00 C ATOM 328 CG ASN A 21 -1.244 -12.093 13.106 1.00 0.00 C ATOM 329 OD1 ASN A 21 -0.798 -11.838 14.207 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.304 -12.845 12.991 1.00 0.00 N ATOM 0 H ASN A 21 0.656 -11.315 9.546 1.00 0.00 H new ATOM 0 HA ASN A 21 0.966 -13.005 11.969 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.048 -10.683 12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.327 -11.196 11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.757 -13.218 13.825 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.679 -13.060 12.067 1.00 0.00 H new ATOM 337 N ASN A 22 -0.471 -14.154 9.446 1.00 0.00 N ATOM 338 CA ASN A 22 -1.208 -15.349 8.891 1.00 0.00 C ATOM 339 C ASN A 22 -2.690 -15.074 8.585 1.00 0.00 C ATOM 340 O ASN A 22 -3.530 -15.916 8.839 1.00 0.00 O ATOM 341 CB ASN A 22 -1.125 -16.524 9.888 1.00 0.00 C ATOM 342 CG ASN A 22 0.243 -16.529 10.573 1.00 0.00 C ATOM 343 OD1 ASN A 22 1.260 -16.379 9.924 1.00 0.00 O ATOM 344 ND2 ASN A 22 0.313 -16.695 11.865 1.00 0.00 N ATOM 0 H ASN A 22 0.102 -13.656 8.764 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.720 -15.591 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.915 -16.436 10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.284 -17.468 9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.221 -16.699 12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.540 -16.821 12.410 1.00 0.00 H new ATOM 351 N LYS A 23 -3.037 -13.944 8.030 1.00 0.00 N ATOM 352 CA LYS A 23 -4.483 -13.688 7.709 1.00 0.00 C ATOM 353 C LYS A 23 -4.729 -14.049 6.235 1.00 0.00 C ATOM 354 O LYS A 23 -3.841 -13.973 5.408 1.00 0.00 O ATOM 355 CB LYS A 23 -4.810 -12.215 7.962 1.00 0.00 C ATOM 356 CG LYS A 23 -4.144 -11.722 9.285 1.00 0.00 C ATOM 357 CD LYS A 23 -5.158 -10.997 10.193 1.00 0.00 C ATOM 358 CE LYS A 23 -4.529 -10.742 11.565 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.569 -10.221 12.497 1.00 0.00 N ATOM 0 H LYS A 23 -2.394 -13.191 7.785 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.126 -14.298 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.460 -11.611 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.890 -12.082 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.720 -12.572 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.319 -11.049 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.458 -10.053 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.060 -11.600 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.101 -11.664 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.713 -10.025 11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.143 -10.047 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.957 -9.332 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.333 -10.920 12.590 1.00 0.00 H new ATOM 373 N THR A 24 -5.937 -14.446 5.904 1.00 0.00 N ATOM 374 CA THR A 24 -6.260 -14.819 4.492 1.00 0.00 C ATOM 375 C THR A 24 -6.501 -13.571 3.636 1.00 0.00 C ATOM 376 O THR A 24 -6.731 -12.492 4.142 1.00 0.00 O ATOM 377 CB THR A 24 -7.532 -15.676 4.459 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.669 -14.829 4.368 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.631 -16.517 5.728 1.00 0.00 C ATOM 0 H THR A 24 -6.716 -14.527 6.557 1.00 0.00 H new ATOM 0 HA THR A 24 -5.412 -15.375 4.092 1.00 0.00 H new ATOM 0 HB THR A 24 -7.492 -16.338 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.483 -15.375 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.537 -17.121 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.762 -17.170 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.665 -15.861 6.598 1.00 0.00 H new ATOM 387 N GLU A 25 -6.479 -13.727 2.339 1.00 0.00 N ATOM 388 CA GLU A 25 -6.736 -12.564 1.438 1.00 0.00 C ATOM 389 C GLU A 25 -8.103 -11.973 1.808 1.00 0.00 C ATOM 390 O GLU A 25 -8.268 -10.774 1.908 1.00 0.00 O ATOM 391 CB GLU A 25 -6.723 -13.046 -0.024 1.00 0.00 C ATOM 392 CG GLU A 25 -7.374 -11.999 -0.955 1.00 0.00 C ATOM 393 CD GLU A 25 -8.867 -12.300 -1.145 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.402 -13.075 -0.370 1.00 0.00 O ATOM 395 OE2 GLU A 25 -9.449 -11.750 -2.066 1.00 0.00 O ATOM 0 H GLU A 25 -6.294 -14.610 1.863 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.968 -11.799 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.697 -13.232 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.258 -13.992 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.249 -11.002 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.871 -12.001 -1.922 1.00 0.00 H new ATOM 402 N LYS A 26 -9.082 -12.813 2.004 1.00 0.00 N ATOM 403 CA LYS A 26 -10.447 -12.326 2.359 1.00 0.00 C ATOM 404 C LYS A 26 -10.405 -11.445 3.613 1.00 0.00 C ATOM 405 O LYS A 26 -11.185 -10.525 3.756 1.00 0.00 O ATOM 406 CB LYS A 26 -11.369 -13.528 2.605 1.00 0.00 C ATOM 407 CG LYS A 26 -12.838 -13.066 2.684 1.00 0.00 C ATOM 408 CD LYS A 26 -13.459 -13.023 1.281 1.00 0.00 C ATOM 409 CE LYS A 26 -14.894 -12.500 1.374 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.871 -11.036 1.648 1.00 0.00 N ATOM 0 H LYS A 26 -8.994 -13.827 1.933 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.829 -11.728 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.252 -14.256 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.087 -14.028 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.406 -13.745 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.892 -12.079 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.868 -12.380 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.452 -14.019 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.426 -12.699 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.432 -13.021 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.807 -10.630 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.632 -10.873 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.158 -10.581 1.043 1.00 0.00 H new ATOM 424 N GLU A 27 -9.517 -11.715 4.526 1.00 0.00 N ATOM 425 CA GLU A 27 -9.456 -10.884 5.765 1.00 0.00 C ATOM 426 C GLU A 27 -8.783 -9.533 5.473 1.00 0.00 C ATOM 427 O GLU A 27 -9.153 -8.521 6.033 1.00 0.00 O ATOM 428 CB GLU A 27 -8.649 -11.614 6.840 1.00 0.00 C ATOM 429 CG GLU A 27 -9.478 -12.738 7.457 1.00 0.00 C ATOM 430 CD GLU A 27 -8.705 -13.360 8.622 1.00 0.00 C ATOM 431 OE1 GLU A 27 -8.131 -12.609 9.392 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.702 -14.575 8.723 1.00 0.00 O ATOM 0 H GLU A 27 -8.833 -12.470 4.472 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.474 -10.713 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.737 -12.023 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.344 -10.911 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.434 -12.349 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.698 -13.497 6.706 1.00 0.00 H new ATOM 439 N ILE A 28 -7.795 -9.501 4.621 1.00 0.00 N ATOM 440 CA ILE A 28 -7.111 -8.207 4.329 1.00 0.00 C ATOM 441 C ILE A 28 -8.099 -7.265 3.652 1.00 0.00 C ATOM 442 O ILE A 28 -8.132 -6.083 3.931 1.00 0.00 O ATOM 443 CB ILE A 28 -5.895 -8.496 3.432 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.180 -9.758 3.997 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.964 -7.276 3.394 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.649 -9.685 3.907 1.00 0.00 C ATOM 0 H ILE A 28 -7.432 -10.310 4.116 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.763 -7.727 5.244 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.202 -8.688 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.469 -9.894 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.527 -10.637 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.107 -7.492 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.505 -6.418 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.618 -7.051 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.216 -10.597 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.350 -9.580 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.292 -8.826 4.475 1.00 0.00 H new ATOM 458 N LEU A 29 -8.914 -7.773 2.780 1.00 0.00 N ATOM 459 CA LEU A 29 -9.907 -6.902 2.105 1.00 0.00 C ATOM 460 C LEU A 29 -11.023 -6.542 3.095 1.00 0.00 C ATOM 461 O LEU A 29 -11.619 -5.488 3.023 1.00 0.00 O ATOM 462 CB LEU A 29 -10.483 -7.654 0.908 1.00 0.00 C ATOM 463 CG LEU A 29 -9.332 -8.174 0.037 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.908 -8.997 -1.119 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.528 -6.988 -0.526 1.00 0.00 C ATOM 0 H LEU A 29 -8.936 -8.755 2.504 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.434 -5.982 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.101 -8.485 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.127 -6.995 0.325 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.673 -8.798 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.094 -9.369 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.474 -9.839 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.566 -8.370 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.712 -7.362 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.182 -6.359 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.120 -6.401 0.297 1.00 0.00 H new ATOM 477 N ASP A 30 -11.290 -7.409 4.034 1.00 0.00 N ATOM 478 CA ASP A 30 -12.342 -7.107 5.050 1.00 0.00 C ATOM 479 C ASP A 30 -11.832 -5.972 5.946 1.00 0.00 C ATOM 480 O ASP A 30 -12.549 -5.041 6.256 1.00 0.00 O ATOM 481 CB ASP A 30 -12.613 -8.351 5.898 1.00 0.00 C ATOM 482 CG ASP A 30 -13.790 -8.083 6.836 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.918 -8.256 6.405 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.544 -7.708 7.971 1.00 0.00 O ATOM 0 H ASP A 30 -10.827 -8.311 4.142 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.268 -6.811 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.834 -9.202 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.726 -8.611 6.476 1.00 0.00 H new ATOM 489 N ALA A 31 -10.606 -6.059 6.387 1.00 0.00 N ATOM 490 CA ALA A 31 -10.049 -5.009 7.290 1.00 0.00 C ATOM 491 C ALA A 31 -9.902 -3.677 6.543 1.00 0.00 C ATOM 492 O ALA A 31 -9.962 -2.621 7.141 1.00 0.00 O ATOM 493 CB ALA A 31 -8.682 -5.468 7.799 1.00 0.00 C ATOM 0 H ALA A 31 -9.962 -6.817 6.160 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.730 -4.860 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.266 -4.708 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.793 -6.404 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.011 -5.620 6.953 1.00 0.00 H new ATOM 499 N PHE A 32 -9.734 -3.700 5.254 1.00 0.00 N ATOM 500 CA PHE A 32 -9.613 -2.416 4.496 1.00 0.00 C ATOM 501 C PHE A 32 -10.780 -1.498 4.878 1.00 0.00 C ATOM 502 O PHE A 32 -10.801 -0.331 4.537 1.00 0.00 O ATOM 503 CB PHE A 32 -9.690 -2.740 2.992 1.00 0.00 C ATOM 504 CG PHE A 32 -8.338 -3.141 2.409 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.246 -3.527 3.220 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.180 -3.104 1.017 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.023 -3.866 2.628 1.00 0.00 C ATOM 508 CE2 PHE A 32 -6.956 -3.449 0.434 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.879 -3.827 1.238 1.00 0.00 C ATOM 0 H PHE A 32 -9.675 -4.547 4.688 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.671 -1.920 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.404 -3.548 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.070 -1.870 2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.355 -3.560 4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.008 -2.807 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.188 -4.159 3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.844 -3.423 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.934 -4.089 0.786 1.00 0.00 H new ATOM 519 N ASP A 33 -11.761 -2.022 5.557 1.00 0.00 N ATOM 520 CA ASP A 33 -12.940 -1.189 5.930 1.00 0.00 C ATOM 521 C ASP A 33 -12.659 -0.379 7.199 1.00 0.00 C ATOM 522 O ASP A 33 -13.322 0.606 7.458 1.00 0.00 O ATOM 523 CB ASP A 33 -14.142 -2.103 6.172 1.00 0.00 C ATOM 524 CG ASP A 33 -15.351 -1.259 6.581 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.559 -0.224 5.970 1.00 0.00 O ATOM 526 OD2 ASP A 33 -16.047 -1.662 7.498 1.00 0.00 O ATOM 0 H ASP A 33 -11.798 -2.992 5.871 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.148 -0.495 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.369 -2.669 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.910 -2.828 6.953 1.00 0.00 H new ATOM 531 N LYS A 34 -11.687 -0.771 7.993 1.00 0.00 N ATOM 532 CA LYS A 34 -11.373 -0.003 9.245 1.00 0.00 C ATOM 533 C LYS A 34 -9.884 0.365 9.276 1.00 0.00 C ATOM 534 O LYS A 34 -9.378 0.825 10.280 1.00 0.00 O ATOM 535 CB LYS A 34 -11.719 -0.843 10.481 1.00 0.00 C ATOM 536 CG LYS A 34 -11.161 -2.259 10.332 1.00 0.00 C ATOM 537 CD LYS A 34 -11.306 -3.012 11.659 1.00 0.00 C ATOM 538 CE LYS A 34 -12.788 -3.236 11.978 1.00 0.00 C ATOM 539 NZ LYS A 34 -12.916 -4.335 12.976 1.00 0.00 N ATOM 0 H LYS A 34 -11.099 -1.588 7.829 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.970 0.909 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.307 -0.374 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.800 -0.883 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.693 -2.789 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.112 -2.218 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.790 -3.970 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.835 -2.444 12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.230 -2.320 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.333 -3.489 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.921 -4.490 13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.508 -5.208 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.408 -4.075 13.846 1.00 0.00 H new ATOM 553 N MET A 35 -9.171 0.186 8.188 1.00 0.00 N ATOM 554 CA MET A 35 -7.721 0.553 8.186 1.00 0.00 C ATOM 555 C MET A 35 -7.592 2.050 7.887 1.00 0.00 C ATOM 556 O MET A 35 -6.836 2.742 8.539 1.00 0.00 O ATOM 557 CB MET A 35 -6.955 -0.273 7.123 1.00 0.00 C ATOM 558 CG MET A 35 -6.346 -1.572 7.724 1.00 0.00 C ATOM 559 SD MET A 35 -7.042 -3.031 6.893 1.00 0.00 S ATOM 560 CE MET A 35 -5.502 -3.742 6.251 1.00 0.00 C ATOM 0 H MET A 35 -9.527 -0.194 7.311 1.00 0.00 H new ATOM 0 HA MET A 35 -7.288 0.333 9.162 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.631 -0.533 6.309 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.159 0.336 6.694 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.262 -1.561 7.610 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.553 -1.619 8.793 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.725 -4.657 5.703 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.022 -3.027 5.583 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.833 -3.970 7.081 1.00 0.00 H new ATOM 570 N CYS A 36 -8.317 2.583 6.934 1.00 0.00 N ATOM 571 CA CYS A 36 -8.174 4.038 6.693 1.00 0.00 C ATOM 572 C CYS A 36 -8.632 4.726 7.976 1.00 0.00 C ATOM 573 O CYS A 36 -8.518 5.926 8.126 1.00 0.00 O ATOM 574 CB CYS A 36 -9.017 4.483 5.495 1.00 0.00 C ATOM 575 SG CYS A 36 -8.063 4.270 3.972 1.00 0.00 S ATOM 0 H CYS A 36 -8.978 2.088 6.335 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.143 4.300 6.453 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.935 3.898 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.309 5.527 5.610 1.00 0.00 H new ATOM 580 N SER A 37 -9.154 3.971 8.902 1.00 0.00 N ATOM 581 CA SER A 37 -9.623 4.589 10.183 1.00 0.00 C ATOM 582 C SER A 37 -8.447 4.748 11.154 1.00 0.00 C ATOM 583 O SER A 37 -8.650 4.955 12.334 1.00 0.00 O ATOM 584 CB SER A 37 -10.689 3.700 10.822 1.00 0.00 C ATOM 585 OG SER A 37 -11.332 4.416 11.868 1.00 0.00 O ATOM 0 H SER A 37 -9.277 2.961 8.833 1.00 0.00 H new ATOM 0 HA SER A 37 -10.045 5.571 9.967 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.419 3.393 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.233 2.791 11.215 1.00 0.00 H new ATOM 0 HG SER A 37 -10.660 4.892 12.400 1.00 0.00 H new ATOM 591 N LYS A 38 -7.224 4.657 10.682 1.00 0.00 N ATOM 592 CA LYS A 38 -6.038 4.809 11.599 1.00 0.00 C ATOM 593 C LYS A 38 -5.170 5.998 11.150 1.00 0.00 C ATOM 594 O LYS A 38 -4.148 6.280 11.742 1.00 0.00 O ATOM 595 CB LYS A 38 -5.210 3.514 11.583 1.00 0.00 C ATOM 596 CG LYS A 38 -5.873 2.469 12.494 1.00 0.00 C ATOM 597 CD LYS A 38 -5.346 1.074 12.152 1.00 0.00 C ATOM 598 CE LYS A 38 -3.823 1.053 12.286 1.00 0.00 C ATOM 599 NZ LYS A 38 -3.428 1.705 13.566 1.00 0.00 N ATOM 0 H LYS A 38 -6.993 4.484 9.704 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.389 4.999 12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.136 3.130 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.194 3.715 11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.665 2.700 13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.955 2.499 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.790 0.334 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.635 0.804 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.459 0.026 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.366 1.573 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.527 1.304 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.317 2.728 13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.164 1.539 14.282 1.00 0.00 H new ATOM 613 N LEU A 39 -5.576 6.702 10.119 1.00 0.00 N ATOM 614 CA LEU A 39 -4.784 7.886 9.632 1.00 0.00 C ATOM 615 C LEU A 39 -5.565 9.172 9.968 1.00 0.00 C ATOM 616 O LEU A 39 -6.777 9.166 9.880 1.00 0.00 O ATOM 617 CB LEU A 39 -4.636 7.793 8.106 1.00 0.00 C ATOM 618 CG LEU A 39 -3.946 6.484 7.708 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.947 6.363 6.183 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.496 6.470 8.213 1.00 0.00 C ATOM 0 H LEU A 39 -6.426 6.509 9.589 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.802 7.899 10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.618 7.850 7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.058 8.641 7.739 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.485 5.648 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.458 5.434 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.974 6.362 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.410 7.207 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.019 5.534 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.950 7.306 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.488 6.560 9.299 1.00 0.00 H new ATOM 632 N PRO A 40 -4.886 10.252 10.329 1.00 0.00 N ATOM 633 CA PRO A 40 -5.587 11.508 10.642 1.00 0.00 C ATOM 634 C PRO A 40 -6.659 11.798 9.573 1.00 0.00 C ATOM 635 O PRO A 40 -6.597 11.274 8.478 1.00 0.00 O ATOM 636 CB PRO A 40 -4.472 12.581 10.694 1.00 0.00 C ATOM 637 CG PRO A 40 -3.110 11.829 10.679 1.00 0.00 C ATOM 638 CD PRO A 40 -3.412 10.330 10.463 1.00 0.00 C ATOM 0 HA PRO A 40 -6.129 11.478 11.587 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.548 13.257 9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.566 13.190 11.593 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.470 12.210 9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.577 11.982 11.617 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.914 9.951 9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.060 9.731 11.303 1.00 0.00 H new ATOM 646 N LYS A 41 -7.647 12.601 9.866 1.00 0.00 N ATOM 647 CA LYS A 41 -8.703 12.871 8.845 1.00 0.00 C ATOM 648 C LYS A 41 -8.121 13.584 7.625 1.00 0.00 C ATOM 649 O LYS A 41 -8.754 13.674 6.593 1.00 0.00 O ATOM 650 CB LYS A 41 -9.799 13.741 9.450 1.00 0.00 C ATOM 651 CG LYS A 41 -11.013 13.771 8.513 1.00 0.00 C ATOM 652 CD LYS A 41 -12.206 14.411 9.232 1.00 0.00 C ATOM 653 CE LYS A 41 -11.849 15.832 9.677 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.083 16.519 8.599 1.00 0.00 N ATOM 0 H LYS A 41 -7.769 13.078 10.759 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.116 11.913 8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.090 13.350 10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.426 14.753 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.774 14.335 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.266 12.759 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.070 14.435 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.485 13.810 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.757 16.391 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.258 15.799 10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.203 17.548 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.075 16.279 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.437 16.210 7.671 1.00 0.00 H new ATOM 668 N SER A 42 -6.959 14.157 7.750 1.00 0.00 N ATOM 669 CA SER A 42 -6.400 14.935 6.608 1.00 0.00 C ATOM 670 C SER A 42 -5.961 14.053 5.436 1.00 0.00 C ATOM 671 O SER A 42 -5.758 14.533 4.339 1.00 0.00 O ATOM 672 CB SER A 42 -5.240 15.813 7.077 1.00 0.00 C ATOM 673 OG SER A 42 -4.480 16.227 5.949 1.00 0.00 O ATOM 0 H SER A 42 -6.375 14.122 8.585 1.00 0.00 H new ATOM 0 HA SER A 42 -7.208 15.566 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.620 16.683 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.609 15.261 7.773 1.00 0.00 H new ATOM 0 HG SER A 42 -4.922 15.926 5.128 1.00 0.00 H new ATOM 679 N LEU A 43 -5.838 12.764 5.653 1.00 0.00 N ATOM 680 CA LEU A 43 -5.437 11.832 4.541 1.00 0.00 C ATOM 681 C LEU A 43 -6.597 10.878 4.243 1.00 0.00 C ATOM 682 O LEU A 43 -6.484 10.019 3.393 1.00 0.00 O ATOM 683 CB LEU A 43 -4.215 10.995 4.941 1.00 0.00 C ATOM 684 CG LEU A 43 -3.110 11.877 5.514 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.859 11.035 5.777 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.773 13.004 4.531 1.00 0.00 C ATOM 0 H LEU A 43 -5.998 12.313 6.554 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.189 12.430 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.508 10.248 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.840 10.455 4.072 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.457 12.313 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.073 11.669 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.095 10.245 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.517 10.590 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.983 13.628 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.435 12.575 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.661 13.612 4.356 1.00 0.00 H new ATOM 698 N SER A 44 -7.694 10.997 4.957 1.00 0.00 N ATOM 699 CA SER A 44 -8.859 10.074 4.733 1.00 0.00 C ATOM 700 C SER A 44 -9.009 9.764 3.243 1.00 0.00 C ATOM 701 O SER A 44 -8.843 8.652 2.783 1.00 0.00 O ATOM 702 CB SER A 44 -10.140 10.730 5.251 1.00 0.00 C ATOM 703 OG SER A 44 -11.265 9.987 4.796 1.00 0.00 O ATOM 0 H SER A 44 -7.834 11.695 5.687 1.00 0.00 H new ATOM 0 HA SER A 44 -8.681 9.143 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.129 10.765 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.203 11.760 4.899 1.00 0.00 H new ATOM 0 HG SER A 44 -12.088 10.403 5.127 1.00 0.00 H new ATOM 709 N GLU A 45 -9.480 10.756 2.537 1.00 0.00 N ATOM 710 CA GLU A 45 -9.860 10.647 1.101 1.00 0.00 C ATOM 711 C GLU A 45 -8.833 10.081 0.137 1.00 0.00 C ATOM 712 O GLU A 45 -9.092 9.145 -0.595 1.00 0.00 O ATOM 713 CB GLU A 45 -10.172 12.062 0.611 1.00 0.00 C ATOM 714 CG GLU A 45 -11.313 12.662 1.439 1.00 0.00 C ATOM 715 CD GLU A 45 -12.611 11.907 1.148 1.00 0.00 C ATOM 716 OE1 GLU A 45 -13.108 12.030 0.040 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.085 11.219 2.036 1.00 0.00 O ATOM 0 H GLU A 45 -9.624 11.689 2.923 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.687 9.937 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.284 12.688 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.450 12.038 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.076 12.602 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.433 13.718 1.199 1.00 0.00 H new ATOM 724 N GLU A 46 -7.669 10.638 0.138 1.00 0.00 N ATOM 725 CA GLU A 46 -6.611 10.142 -0.763 1.00 0.00 C ATOM 726 C GLU A 46 -6.410 8.649 -0.525 1.00 0.00 C ATOM 727 O GLU A 46 -5.935 7.940 -1.382 1.00 0.00 O ATOM 728 CB GLU A 46 -5.323 10.902 -0.463 1.00 0.00 C ATOM 729 CG GLU A 46 -5.055 10.862 1.038 1.00 0.00 C ATOM 730 CD GLU A 46 -3.766 11.617 1.356 1.00 0.00 C ATOM 731 OE1 GLU A 46 -3.818 12.834 1.424 1.00 0.00 O ATOM 732 OE2 GLU A 46 -2.748 10.967 1.525 1.00 0.00 O ATOM 0 H GLU A 46 -7.401 11.424 0.730 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.891 10.298 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.489 10.457 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.409 11.934 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.891 11.308 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.974 9.828 1.374 1.00 0.00 H new ATOM 739 N CYS A 47 -6.784 8.157 0.623 1.00 0.00 N ATOM 740 CA CYS A 47 -6.625 6.699 0.883 1.00 0.00 C ATOM 741 C CYS A 47 -7.774 5.960 0.200 1.00 0.00 C ATOM 742 O CYS A 47 -7.585 4.933 -0.420 1.00 0.00 O ATOM 743 CB CYS A 47 -6.640 6.441 2.407 1.00 0.00 C ATOM 744 SG CYS A 47 -8.309 6.018 2.991 1.00 0.00 S ATOM 0 H CYS A 47 -7.190 8.697 1.387 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.676 6.340 0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.952 5.630 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.283 7.327 2.931 1.00 0.00 H new ATOM 749 N GLN A 48 -8.964 6.471 0.316 1.00 0.00 N ATOM 750 CA GLN A 48 -10.121 5.788 -0.322 1.00 0.00 C ATOM 751 C GLN A 48 -9.812 5.549 -1.794 1.00 0.00 C ATOM 752 O GLN A 48 -10.102 4.503 -2.340 1.00 0.00 O ATOM 753 CB GLN A 48 -11.370 6.665 -0.205 1.00 0.00 C ATOM 754 CG GLN A 48 -11.852 6.680 1.245 1.00 0.00 C ATOM 755 CD GLN A 48 -13.074 7.592 1.368 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.049 8.723 0.925 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.150 7.145 1.956 1.00 0.00 N ATOM 0 H GLN A 48 -9.186 7.328 0.822 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.300 4.837 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.146 7.680 -0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.157 6.284 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.106 5.669 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -11.055 7.032 1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.171 6.195 2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.970 7.745 2.044 1.00 0.00 H new ATOM 766 N GLU A 49 -9.240 6.520 -2.448 1.00 0.00 N ATOM 767 CA GLU A 49 -8.929 6.361 -3.890 1.00 0.00 C ATOM 768 C GLU A 49 -7.824 5.321 -4.091 1.00 0.00 C ATOM 769 O GLU A 49 -7.871 4.523 -5.007 1.00 0.00 O ATOM 770 CB GLU A 49 -8.476 7.706 -4.463 1.00 0.00 C ATOM 771 CG GLU A 49 -9.681 8.640 -4.592 1.00 0.00 C ATOM 772 CD GLU A 49 -9.208 10.029 -5.022 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.001 10.221 -6.209 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.060 10.877 -4.158 1.00 0.00 O ATOM 0 H GLU A 49 -8.975 7.418 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.826 6.021 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.723 8.154 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.011 7.559 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.386 8.242 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.209 8.703 -3.641 1.00 0.00 H new ATOM 781 N VAL A 50 -6.831 5.314 -3.236 1.00 0.00 N ATOM 782 CA VAL A 50 -5.740 4.312 -3.386 1.00 0.00 C ATOM 783 C VAL A 50 -6.278 2.925 -3.051 1.00 0.00 C ATOM 784 O VAL A 50 -6.107 1.985 -3.802 1.00 0.00 O ATOM 785 CB VAL A 50 -4.571 4.620 -2.437 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.439 3.615 -2.678 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.051 6.049 -2.688 1.00 0.00 C ATOM 0 H VAL A 50 -6.732 5.954 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.383 4.352 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.918 4.542 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.610 3.833 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.803 2.605 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.098 3.691 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.223 6.259 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.708 6.136 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.854 6.765 -2.512 1.00 0.00 H new ATOM 797 N VAL A 51 -6.894 2.775 -1.904 1.00 0.00 N ATOM 798 CA VAL A 51 -7.395 1.432 -1.507 1.00 0.00 C ATOM 799 C VAL A 51 -8.419 0.927 -2.530 1.00 0.00 C ATOM 800 O VAL A 51 -8.328 -0.175 -3.031 1.00 0.00 O ATOM 801 CB VAL A 51 -7.975 1.493 -0.086 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.348 0.094 0.387 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.940 2.090 0.876 1.00 0.00 C ATOM 0 H VAL A 51 -7.069 3.522 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.571 0.719 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.866 2.121 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.758 0.148 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.093 -0.331 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.460 -0.538 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.359 2.130 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.045 1.467 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.680 3.097 0.551 1.00 0.00 H new ATOM 813 N ASP A 52 -9.430 1.714 -2.789 1.00 0.00 N ATOM 814 CA ASP A 52 -10.522 1.287 -3.714 1.00 0.00 C ATOM 815 C ASP A 52 -10.021 1.053 -5.140 1.00 0.00 C ATOM 816 O ASP A 52 -10.429 0.118 -5.803 1.00 0.00 O ATOM 817 CB ASP A 52 -11.600 2.375 -3.738 1.00 0.00 C ATOM 818 CG ASP A 52 -12.103 2.627 -2.315 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.293 2.579 -1.405 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.289 2.865 -2.161 1.00 0.00 O ATOM 0 H ASP A 52 -9.547 2.647 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.920 0.342 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.194 3.295 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.427 2.068 -4.378 1.00 0.00 H new ATOM 825 N THR A 53 -9.165 1.903 -5.632 1.00 0.00 N ATOM 826 CA THR A 53 -8.667 1.744 -7.027 1.00 0.00 C ATOM 827 C THR A 53 -7.445 0.832 -7.072 1.00 0.00 C ATOM 828 O THR A 53 -7.303 0.044 -7.986 1.00 0.00 O ATOM 829 CB THR A 53 -8.296 3.119 -7.586 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.379 4.016 -7.384 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.999 3.005 -9.082 1.00 0.00 C ATOM 0 H THR A 53 -8.787 2.704 -5.127 1.00 0.00 H new ATOM 0 HA THR A 53 -9.455 1.291 -7.629 1.00 0.00 H new ATOM 0 HB THR A 53 -7.410 3.492 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.258 4.489 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.735 3.986 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.168 2.316 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.882 2.631 -9.601 1.00 0.00 H new ATOM 839 N TYR A 54 -6.545 0.938 -6.126 1.00 0.00 N ATOM 840 CA TYR A 54 -5.315 0.082 -6.164 1.00 0.00 C ATOM 841 C TYR A 54 -5.306 -0.971 -5.052 1.00 0.00 C ATOM 842 O TYR A 54 -4.270 -1.337 -4.535 1.00 0.00 O ATOM 843 CB TYR A 54 -4.087 0.971 -6.028 1.00 0.00 C ATOM 844 CG TYR A 54 -3.966 1.854 -7.248 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.612 3.091 -7.270 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.208 1.442 -8.351 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.506 3.922 -8.386 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.100 2.273 -9.474 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.749 3.515 -9.491 1.00 0.00 C ATOM 850 OH TYR A 54 -3.643 4.334 -10.596 1.00 0.00 O ATOM 0 H TYR A 54 -6.606 1.576 -5.332 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.306 -0.448 -7.117 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.166 1.583 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.192 0.359 -5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.197 3.407 -6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.707 0.485 -8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.008 4.878 -8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.517 1.957 -10.326 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.081 3.901 -11.272 1.00 0.00 H new ATOM 860 N GLY A 55 -6.464 -1.425 -4.651 1.00 0.00 N ATOM 861 CA GLY A 55 -6.546 -2.413 -3.540 1.00 0.00 C ATOM 862 C GLY A 55 -6.254 -3.833 -4.023 1.00 0.00 C ATOM 863 O GLY A 55 -5.381 -4.498 -3.501 1.00 0.00 O ATOM 0 H GLY A 55 -7.362 -1.151 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.836 -2.141 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.540 -2.378 -3.094 1.00 0.00 H new ATOM 867 N SER A 56 -6.980 -4.330 -4.990 1.00 0.00 N ATOM 868 CA SER A 56 -6.715 -5.721 -5.437 1.00 0.00 C ATOM 869 C SER A 56 -5.330 -5.803 -6.057 1.00 0.00 C ATOM 870 O SER A 56 -4.698 -6.841 -6.073 1.00 0.00 O ATOM 871 CB SER A 56 -7.751 -6.162 -6.468 1.00 0.00 C ATOM 872 OG SER A 56 -9.022 -5.630 -6.119 1.00 0.00 O ATOM 0 H SER A 56 -7.730 -3.841 -5.479 1.00 0.00 H new ATOM 0 HA SER A 56 -6.775 -6.379 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.461 -5.818 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.799 -7.250 -6.509 1.00 0.00 H new ATOM 0 HG SER A 56 -9.687 -5.911 -6.781 1.00 0.00 H new ATOM 878 N SER A 57 -4.886 -4.721 -6.640 1.00 0.00 N ATOM 879 CA SER A 57 -3.578 -4.755 -7.340 1.00 0.00 C ATOM 880 C SER A 57 -2.419 -4.741 -6.349 1.00 0.00 C ATOM 881 O SER A 57 -1.528 -5.558 -6.426 1.00 0.00 O ATOM 882 CB SER A 57 -3.464 -3.588 -8.320 1.00 0.00 C ATOM 883 OG SER A 57 -3.475 -2.365 -7.596 1.00 0.00 O ATOM 0 H SER A 57 -5.371 -3.824 -6.660 1.00 0.00 H new ATOM 0 HA SER A 57 -3.523 -5.687 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.545 -3.673 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.291 -3.612 -9.029 1.00 0.00 H new ATOM 0 HG SER A 57 -3.400 -1.614 -8.221 1.00 0.00 H new ATOM 889 N ILE A 58 -2.449 -3.862 -5.381 1.00 0.00 N ATOM 890 CA ILE A 58 -1.365 -3.851 -4.362 1.00 0.00 C ATOM 891 C ILE A 58 -1.299 -5.234 -3.726 1.00 0.00 C ATOM 892 O ILE A 58 -0.271 -5.877 -3.661 1.00 0.00 O ATOM 893 CB ILE A 58 -1.680 -2.804 -3.269 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.384 -1.395 -3.814 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.809 -3.073 -2.024 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.787 -0.315 -2.793 1.00 0.00 C ATOM 0 H ILE A 58 -3.174 -3.156 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.415 -3.597 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.732 -2.874 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.322 -1.305 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.927 -1.240 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.034 -2.333 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.021 -4.071 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.244 -3.005 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.568 0.672 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.854 -0.392 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.225 -0.459 -1.870 1.00 0.00 H new ATOM 908 N LEU A 59 -2.424 -5.663 -3.239 1.00 0.00 N ATOM 909 CA LEU A 59 -2.526 -6.978 -2.568 1.00 0.00 C ATOM 910 C LEU A 59 -2.158 -8.089 -3.550 1.00 0.00 C ATOM 911 O LEU A 59 -1.764 -9.161 -3.145 1.00 0.00 O ATOM 912 CB LEU A 59 -3.971 -7.157 -2.081 1.00 0.00 C ATOM 913 CG LEU A 59 -4.186 -8.568 -1.511 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.138 -8.862 -0.425 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.597 -8.671 -0.900 1.00 0.00 C ATOM 0 H LEU A 59 -3.299 -5.141 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.840 -7.027 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.196 -6.413 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.661 -6.985 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.082 -9.295 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.298 -9.864 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.139 -8.798 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.233 -8.132 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.747 -9.673 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.701 -7.938 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.342 -8.475 -1.671 1.00 0.00 H new ATOM 927 N SER A 60 -2.303 -7.891 -4.832 1.00 0.00 N ATOM 928 CA SER A 60 -1.972 -9.015 -5.760 1.00 0.00 C ATOM 929 C SER A 60 -0.456 -9.083 -5.975 1.00 0.00 C ATOM 930 O SER A 60 0.121 -10.141 -6.131 1.00 0.00 O ATOM 931 CB SER A 60 -2.674 -8.787 -7.095 1.00 0.00 C ATOM 932 OG SER A 60 -2.165 -9.701 -8.058 1.00 0.00 O ATOM 0 H SER A 60 -2.626 -7.028 -5.269 1.00 0.00 H new ATOM 0 HA SER A 60 -2.310 -9.956 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.749 -8.923 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.516 -7.762 -7.431 1.00 0.00 H new ATOM 0 HG SER A 60 -2.616 -9.557 -8.916 1.00 0.00 H new ATOM 938 N ILE A 61 0.186 -7.943 -5.989 1.00 0.00 N ATOM 939 CA ILE A 61 1.663 -7.892 -6.201 1.00 0.00 C ATOM 940 C ILE A 61 2.402 -8.457 -4.985 1.00 0.00 C ATOM 941 O ILE A 61 3.307 -9.257 -5.113 1.00 0.00 O ATOM 942 CB ILE A 61 2.088 -6.423 -6.375 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.150 -5.706 -7.405 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.564 -6.375 -6.804 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.936 -5.062 -8.553 1.00 0.00 C ATOM 0 H ILE A 61 -0.257 -7.033 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 61 1.910 -8.483 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 61 1.990 -5.889 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.441 -6.427 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.567 -4.941 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.873 -5.337 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.181 -6.847 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.686 -6.906 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.243 -4.577 -9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.626 -4.320 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.498 -5.830 -9.085 1.00 0.00 H new ATOM 957 N LEU A 62 2.049 -8.016 -3.811 1.00 0.00 N ATOM 958 CA LEU A 62 2.761 -8.494 -2.597 1.00 0.00 C ATOM 959 C LEU A 62 2.728 -10.026 -2.550 1.00 0.00 C ATOM 960 O LEU A 62 3.666 -10.663 -2.113 1.00 0.00 O ATOM 961 CB LEU A 62 2.093 -7.876 -1.349 1.00 0.00 C ATOM 962 CG LEU A 62 3.120 -7.051 -0.548 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.411 -6.255 0.560 1.00 0.00 C ATOM 964 CD2 LEU A 62 4.177 -7.996 0.066 1.00 0.00 C ATOM 0 H LEU A 62 1.299 -7.346 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 62 3.805 -8.183 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.261 -7.240 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.680 -8.665 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 62 3.616 -6.348 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.146 -5.676 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.681 -5.580 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.902 -6.944 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.902 -7.412 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.687 -8.708 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.689 -8.536 -0.731 1.00 0.00 H new ATOM 976 N LEU A 63 1.663 -10.620 -3.005 1.00 0.00 N ATOM 977 CA LEU A 63 1.584 -12.105 -2.994 1.00 0.00 C ATOM 978 C LEU A 63 2.521 -12.674 -4.053 1.00 0.00 C ATOM 979 O LEU A 63 2.861 -13.840 -4.036 1.00 0.00 O ATOM 980 CB LEU A 63 0.147 -12.553 -3.258 1.00 0.00 C ATOM 981 CG LEU A 63 -0.767 -12.019 -2.151 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.215 -12.413 -2.459 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.342 -12.600 -0.789 1.00 0.00 C ATOM 0 H LEU A 63 0.845 -10.143 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 63 1.889 -12.476 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.187 -12.186 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.095 -13.641 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.687 -10.933 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.870 -12.035 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.513 -11.986 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.294 -13.499 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.998 -12.214 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.414 -13.687 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.687 -12.310 -0.575 1.00 0.00 H new ATOM 995 N GLU A 64 2.940 -11.857 -4.981 1.00 0.00 N ATOM 996 CA GLU A 64 3.853 -12.342 -6.049 1.00 0.00 C ATOM 997 C GLU A 64 5.291 -12.243 -5.530 1.00 0.00 C ATOM 998 O GLU A 64 6.233 -12.022 -6.264 1.00 0.00 O ATOM 999 CB GLU A 64 3.643 -11.494 -7.308 1.00 0.00 C ATOM 1000 CG GLU A 64 4.235 -12.201 -8.528 1.00 0.00 C ATOM 1001 CD GLU A 64 3.394 -13.436 -8.860 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.313 -13.264 -9.399 1.00 0.00 O ATOM 1003 OE2 GLU A 64 3.844 -14.531 -8.569 1.00 0.00 O ATOM 0 H GLU A 64 2.687 -10.871 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 64 3.647 -13.380 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.579 -11.317 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.113 -10.519 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.256 -11.522 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.266 -12.493 -8.328 1.00 0.00 H new ATOM 1010 N GLU A 65 5.447 -12.474 -4.256 1.00 0.00 N ATOM 1011 CA GLU A 65 6.801 -12.478 -3.635 1.00 0.00 C ATOM 1012 C GLU A 65 7.660 -11.295 -4.094 1.00 0.00 C ATOM 1013 O GLU A 65 8.870 -11.385 -4.157 1.00 0.00 O ATOM 1014 CB GLU A 65 7.504 -13.759 -4.077 1.00 0.00 C ATOM 1015 CG GLU A 65 6.787 -14.971 -3.477 1.00 0.00 C ATOM 1016 CD GLU A 65 7.059 -15.033 -1.973 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.219 -14.978 -1.597 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.104 -15.133 -1.221 1.00 0.00 O ATOM 0 H GLU A 65 4.681 -12.663 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 65 6.680 -12.409 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.507 -13.827 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.545 -13.744 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.715 -14.900 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.133 -15.886 -3.958 1.00 0.00 H new ATOM 1025 N VAL A 66 7.051 -10.176 -4.384 1.00 0.00 N ATOM 1026 CA VAL A 66 7.840 -8.971 -4.802 1.00 0.00 C ATOM 1027 C VAL A 66 8.145 -8.140 -3.542 1.00 0.00 C ATOM 1028 O VAL A 66 7.347 -8.063 -2.630 1.00 0.00 O ATOM 1029 CB VAL A 66 7.002 -8.155 -5.812 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.374 -6.665 -5.761 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.259 -8.683 -7.229 1.00 0.00 C ATOM 0 H VAL A 66 6.041 -10.040 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 66 8.778 -9.256 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 66 5.949 -8.263 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.769 -6.114 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.188 -6.278 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.429 -6.545 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.669 -8.109 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.318 -8.582 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.973 -9.733 -7.283 1.00 0.00 H new ATOM 1041 N SER A 67 9.300 -7.524 -3.490 1.00 0.00 N ATOM 1042 CA SER A 67 9.662 -6.704 -2.295 1.00 0.00 C ATOM 1043 C SER A 67 8.507 -5.725 -1.982 1.00 0.00 C ATOM 1044 O SER A 67 7.786 -5.343 -2.881 1.00 0.00 O ATOM 1045 CB SER A 67 10.952 -5.926 -2.594 1.00 0.00 C ATOM 1046 OG SER A 67 11.770 -6.698 -3.463 1.00 0.00 O ATOM 0 H SER A 67 10.007 -7.554 -4.224 1.00 0.00 H new ATOM 0 HA SER A 67 9.825 -7.348 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.715 -4.967 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.485 -5.712 -1.668 1.00 0.00 H new ATOM 0 HG SER A 67 12.595 -6.206 -3.659 1.00 0.00 H new ATOM 1052 N PRO A 68 8.337 -5.349 -0.724 1.00 0.00 N ATOM 1053 CA PRO A 68 7.243 -4.429 -0.336 1.00 0.00 C ATOM 1054 C PRO A 68 7.436 -3.008 -0.909 1.00 0.00 C ATOM 1055 O PRO A 68 6.487 -2.371 -1.309 1.00 0.00 O ATOM 1056 CB PRO A 68 7.296 -4.391 1.210 1.00 0.00 C ATOM 1057 CG PRO A 68 8.625 -5.064 1.642 1.00 0.00 C ATOM 1058 CD PRO A 68 9.186 -5.798 0.409 1.00 0.00 C ATOM 0 HA PRO A 68 6.286 -4.774 -0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.250 -3.364 1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.442 -4.917 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.334 -4.319 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.454 -5.763 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.233 -5.546 0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.135 -6.879 0.536 1.00 0.00 H new ATOM 1066 N GLU A 69 8.634 -2.482 -0.911 1.00 0.00 N ATOM 1067 CA GLU A 69 8.822 -1.082 -1.418 1.00 0.00 C ATOM 1068 C GLU A 69 8.821 -1.055 -2.956 1.00 0.00 C ATOM 1069 O GLU A 69 8.643 -0.012 -3.572 1.00 0.00 O ATOM 1070 CB GLU A 69 10.141 -0.492 -0.864 1.00 0.00 C ATOM 1071 CG GLU A 69 11.120 -1.615 -0.501 1.00 0.00 C ATOM 1072 CD GLU A 69 12.464 -1.005 -0.097 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.597 -0.623 1.053 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.337 -0.930 -0.946 1.00 0.00 O ATOM 0 H GLU A 69 9.481 -2.950 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 69 7.990 -0.470 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.592 0.166 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.933 0.116 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.718 -2.212 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.253 -2.286 -1.350 1.00 0.00 H new ATOM 1081 N LEU A 70 8.977 -2.181 -3.589 1.00 0.00 N ATOM 1082 CA LEU A 70 8.950 -2.169 -5.075 1.00 0.00 C ATOM 1083 C LEU A 70 7.496 -1.951 -5.499 1.00 0.00 C ATOM 1084 O LEU A 70 7.202 -1.650 -6.639 1.00 0.00 O ATOM 1085 CB LEU A 70 9.512 -3.486 -5.632 1.00 0.00 C ATOM 1086 CG LEU A 70 11.044 -3.496 -5.519 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.580 -4.897 -5.860 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.680 -2.457 -6.468 1.00 0.00 C ATOM 0 H LEU A 70 9.119 -3.092 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 70 9.576 -1.370 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.094 -4.330 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.216 -3.605 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 70 11.311 -3.235 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.667 -4.900 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.162 -5.626 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.291 -5.159 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.765 -2.487 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.406 -2.688 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.319 -1.461 -6.212 1.00 0.00 H new ATOM 1100 N VAL A 71 6.580 -2.131 -4.577 1.00 0.00 N ATOM 1101 CA VAL A 71 5.137 -1.968 -4.911 1.00 0.00 C ATOM 1102 C VAL A 71 4.836 -0.516 -5.280 1.00 0.00 C ATOM 1103 O VAL A 71 4.287 -0.251 -6.327 1.00 0.00 O ATOM 1104 CB VAL A 71 4.259 -2.414 -3.715 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.857 -1.756 -3.760 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.112 -3.940 -3.733 1.00 0.00 C ATOM 0 H VAL A 71 6.774 -2.384 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 71 4.904 -2.597 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 71 4.750 -2.094 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.270 -2.092 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.963 -0.672 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.351 -2.040 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.495 -4.256 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.640 -4.249 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.096 -4.401 -3.654 1.00 0.00 H new ATOM 1116 N CYS A 72 5.134 0.432 -4.439 1.00 0.00 N ATOM 1117 CA CYS A 72 4.775 1.827 -4.806 1.00 0.00 C ATOM 1118 C CYS A 72 5.595 2.281 -6.028 1.00 0.00 C ATOM 1119 O CYS A 72 5.161 3.116 -6.796 1.00 0.00 O ATOM 1120 CB CYS A 72 5.010 2.757 -3.606 1.00 0.00 C ATOM 1121 SG CYS A 72 4.223 2.069 -2.123 1.00 0.00 S ATOM 0 H CYS A 72 5.597 0.308 -3.539 1.00 0.00 H new ATOM 0 HA CYS A 72 3.719 1.871 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.079 2.881 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.604 3.746 -3.817 1.00 0.00 H new ATOM 1126 N SER A 73 6.773 1.734 -6.219 1.00 0.00 N ATOM 1127 CA SER A 73 7.596 2.146 -7.407 1.00 0.00 C ATOM 1128 C SER A 73 7.048 1.513 -8.707 1.00 0.00 C ATOM 1129 O SER A 73 7.051 2.142 -9.747 1.00 0.00 O ATOM 1130 CB SER A 73 9.050 1.727 -7.200 1.00 0.00 C ATOM 1131 OG SER A 73 9.440 2.026 -5.866 1.00 0.00 O ATOM 0 H SER A 73 7.197 1.030 -5.615 1.00 0.00 H new ATOM 0 HA SER A 73 7.539 3.230 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.164 0.661 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.695 2.250 -7.906 1.00 0.00 H new ATOM 0 HG SER A 73 9.142 1.308 -5.269 1.00 0.00 H new ATOM 1137 N MET A 74 6.588 0.290 -8.675 1.00 0.00 N ATOM 1138 CA MET A 74 6.057 -0.355 -9.929 1.00 0.00 C ATOM 1139 C MET A 74 4.691 0.246 -10.328 1.00 0.00 C ATOM 1140 O MET A 74 4.423 0.445 -11.496 1.00 0.00 O ATOM 1141 CB MET A 74 5.895 -1.887 -9.693 1.00 0.00 C ATOM 1142 CG MET A 74 7.083 -2.679 -10.274 1.00 0.00 C ATOM 1143 SD MET A 74 6.612 -4.419 -10.483 1.00 0.00 S ATOM 1144 CE MET A 74 5.785 -4.663 -8.890 1.00 0.00 C ATOM 0 H MET A 74 6.554 -0.295 -7.840 1.00 0.00 H new ATOM 0 HA MET A 74 6.765 -0.170 -10.737 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.813 -2.084 -8.624 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.968 -2.231 -10.153 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.381 -2.255 -11.233 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.944 -2.602 -9.610 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.768 -5.726 -8.648 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.326 -4.123 -8.113 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.763 -4.288 -8.949 1.00 0.00 H new ATOM 1154 N LEU A 75 3.821 0.510 -9.396 1.00 0.00 N ATOM 1155 CA LEU A 75 2.484 1.061 -9.777 1.00 0.00 C ATOM 1156 C LEU A 75 2.611 2.515 -10.256 1.00 0.00 C ATOM 1157 O LEU A 75 1.651 3.257 -10.264 1.00 0.00 O ATOM 1158 CB LEU A 75 1.527 0.987 -8.581 1.00 0.00 C ATOM 1159 CG LEU A 75 1.460 -0.449 -8.027 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.356 -0.544 -6.973 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.170 -1.449 -9.157 1.00 0.00 C ATOM 0 H LEU A 75 3.971 0.372 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 75 2.085 0.461 -10.595 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.861 1.669 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.532 1.312 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 75 2.422 -0.692 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.311 -1.561 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.570 0.148 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.602 -0.286 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.126 -2.458 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.215 -1.205 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.962 -1.394 -9.903 1.00 0.00 H new ATOM 1173 N HIS A 76 3.793 2.921 -10.643 1.00 0.00 N ATOM 1174 CA HIS A 76 4.006 4.325 -11.122 1.00 0.00 C ATOM 1175 C HIS A 76 3.338 5.309 -10.153 1.00 0.00 C ATOM 1176 O HIS A 76 3.032 6.424 -10.527 1.00 0.00 O ATOM 1177 CB HIS A 76 3.439 4.495 -12.540 1.00 0.00 C ATOM 1178 CG HIS A 76 1.935 4.501 -12.504 1.00 0.00 C ATOM 1179 ND1 HIS A 76 1.214 5.557 -11.970 1.00 0.00 N ATOM 1180 CD2 HIS A 76 1.004 3.587 -12.928 1.00 0.00 C ATOM 1181 CE1 HIS A 76 -0.092 5.253 -12.083 1.00 0.00 C ATOM 1182 NE2 HIS A 76 -0.276 4.062 -12.660 1.00 0.00 N ATOM 0 H HIS A 76 4.629 2.336 -10.649 1.00 0.00 H new ATOM 0 HA HIS A 76 5.075 4.534 -11.154 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.803 5.426 -12.975 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.791 3.685 -13.179 1.00 0.00 H new ATOM 0 HD1 HIS A 76 1.602 6.409 -11.565 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.230 2.642 -13.399 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.894 5.894 -11.748 1.00 0.00 H new ATOM 1190 N LEU A 77 3.098 4.940 -8.932 1.00 0.00 N ATOM 1191 CA LEU A 77 2.446 5.903 -7.996 1.00 0.00 C ATOM 1192 C LEU A 77 3.511 6.801 -7.366 1.00 0.00 C ATOM 1193 O LEU A 77 3.201 7.788 -6.729 1.00 0.00 O ATOM 1194 CB LEU A 77 1.691 5.140 -6.889 1.00 0.00 C ATOM 1195 CG LEU A 77 0.363 4.524 -7.385 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.438 4.054 -6.166 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.493 5.540 -8.170 1.00 0.00 C ATOM 0 H LEU A 77 3.320 4.025 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 77 1.735 6.514 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.330 4.348 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.485 5.819 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 77 0.603 3.698 -8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.380 3.616 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.137 3.307 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.642 4.904 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.416 5.062 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.732 6.387 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.063 5.890 -9.040 1.00 0.00 H new ATOM 1209 N CYS A 78 4.767 6.474 -7.551 1.00 0.00 N ATOM 1210 CA CYS A 78 5.871 7.313 -6.981 1.00 0.00 C ATOM 1211 C CYS A 78 6.882 7.613 -8.096 1.00 0.00 C ATOM 1212 O CYS A 78 7.707 6.784 -8.427 1.00 0.00 O ATOM 1213 CB CYS A 78 6.554 6.539 -5.836 1.00 0.00 C ATOM 1214 SG CYS A 78 6.794 7.618 -4.394 1.00 0.00 S ATOM 0 H CYS A 78 5.078 5.657 -8.076 1.00 0.00 H new ATOM 0 HA CYS A 78 5.476 8.250 -6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.946 5.679 -5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.516 6.153 -6.173 1.00 0.00 H new