USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 584 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 Set 1.1: A 43 LYS NZ :NH3+ -163:sc= 1.87 (180deg=-0.0151) USER MOD Set 1.2: A 73 SER OG : rot -130:sc= 0.545 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.0431 (180deg=-0.307) USER MOD Single : A 8 ASN : amide:sc= -9.17! C(o=-9.2!,f=-25!) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0.0362 (180deg=0.0295) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.305 (180deg=-1.35!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -4.13 K(o=-4.1,f=-2.1) USER MOD Single : A 23 THR OG1 : rot 87:sc= 1.01 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= -6.89! (180deg=-7.63!) USER MOD Single : A 29 THR OG1 : rot 85:sc= 0.0151 USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= -0.23 (180deg=-1.33!) USER MOD Single : A 33 GLN : amide:sc= -0.0325 K(o=-0.032,f=-2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -76:sc= -1.82 USER MOD Single : A 40 SER OG : rot -46:sc= 0.0456 USER MOD Single : A 41 GLN : amide:sc= -6.42! C(o=-6.4!,f=-7.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -56:sc= 1.09 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= -0.706 (180deg=-0.759) USER MOD Single : A 52 GLN : amide:sc= -1.96 K(o=-2,f=-0.8) USER MOD Single : A 54 SER OG : rot -50:sc= 0.444 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 40:sc= -5.35! USER MOD Single : A 63 LYS NZ :NH3+ -110:sc= 0.61! (180deg=-3.27!) USER MOD Single : A 67 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.56) USER MOD Single : A 71 MET CE :methyl -140:sc= -0.289 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.768 -17.867 1.787 1.00 0.00 N ATOM 21 CA VAL A 2 -0.097 -17.508 0.541 1.00 0.00 C ATOM 22 C VAL A 2 1.020 -16.510 0.809 1.00 0.00 C ATOM 23 O VAL A 2 0.813 -15.473 1.436 1.00 0.00 O ATOM 24 CB VAL A 2 -1.118 -16.938 -0.468 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.508 -16.885 0.171 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.724 -15.522 -0.918 1.00 0.00 C ATOM 0 HA VAL A 2 0.348 -18.404 0.108 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.128 -17.594 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.223 -16.482 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.813 -17.890 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.479 -16.245 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.462 -15.147 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.687 -14.862 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.256 -15.551 -1.394 1.00 0.00 H new ATOM 36 N SER A 3 2.202 -16.842 0.314 1.00 0.00 N ATOM 37 CA SER A 3 3.369 -15.989 0.473 1.00 0.00 C ATOM 38 C SER A 3 3.544 -15.136 -0.774 1.00 0.00 C ATOM 39 O SER A 3 3.306 -15.601 -1.887 1.00 0.00 O ATOM 40 CB SER A 3 4.619 -16.842 0.694 1.00 0.00 C ATOM 41 OG SER A 3 4.374 -17.771 1.742 1.00 0.00 O ATOM 0 H SER A 3 2.379 -17.702 -0.205 1.00 0.00 H new ATOM 0 HA SER A 3 3.225 -15.344 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.879 -17.371 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.467 -16.206 0.947 1.00 0.00 H new ATOM 0 HG SER A 3 5.173 -18.321 1.885 1.00 0.00 H new ATOM 47 N LEU A 4 3.938 -13.886 -0.588 1.00 0.00 N ATOM 48 CA LEU A 4 4.114 -12.983 -1.719 1.00 0.00 C ATOM 49 C LEU A 4 5.401 -12.188 -1.595 1.00 0.00 C ATOM 50 O LEU A 4 6.104 -12.266 -0.588 1.00 0.00 O ATOM 51 CB LEU A 4 2.937 -12.010 -1.794 1.00 0.00 C ATOM 52 CG LEU A 4 1.632 -12.795 -1.929 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.447 -11.868 -1.644 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.514 -13.379 -3.347 1.00 0.00 C ATOM 0 H LEU A 4 4.140 -13.475 0.323 1.00 0.00 H new ATOM 0 HA LEU A 4 4.162 -13.588 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.908 -11.388 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.060 -11.339 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 4 1.629 -13.615 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.484 -12.427 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.530 -11.472 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.450 -11.044 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.582 -13.937 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.522 -12.569 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.355 -14.046 -3.537 1.00 0.00 H new ATOM 66 N THR A 5 5.689 -11.412 -2.629 1.00 0.00 N ATOM 67 CA THR A 5 6.889 -10.575 -2.647 1.00 0.00 C ATOM 68 C THR A 5 6.534 -9.152 -3.052 1.00 0.00 C ATOM 69 O THR A 5 6.086 -8.910 -4.173 1.00 0.00 O ATOM 70 CB THR A 5 7.925 -11.130 -3.632 1.00 0.00 C ATOM 71 OG1 THR A 5 8.641 -12.191 -3.015 1.00 0.00 O ATOM 72 CG2 THR A 5 8.905 -10.014 -4.035 1.00 0.00 C ATOM 0 H THR A 5 5.112 -11.341 -3.467 1.00 0.00 H new ATOM 0 HA THR A 5 7.312 -10.576 -1.643 1.00 0.00 H new ATOM 0 HB THR A 5 7.417 -11.502 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.303 -12.548 -3.644 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.640 -10.411 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.355 -9.201 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.415 -9.639 -3.147 1.00 0.00 H new ATOM 80 N PHE A 6 6.748 -8.212 -2.144 1.00 0.00 N ATOM 81 CA PHE A 6 6.456 -6.816 -2.435 1.00 0.00 C ATOM 82 C PHE A 6 7.700 -6.120 -2.979 1.00 0.00 C ATOM 83 O PHE A 6 8.705 -5.992 -2.280 1.00 0.00 O ATOM 84 CB PHE A 6 5.978 -6.114 -1.166 1.00 0.00 C ATOM 85 CG PHE A 6 4.557 -6.524 -0.867 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.250 -7.867 -0.617 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.545 -5.560 -0.828 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.934 -8.243 -0.331 1.00 0.00 C ATOM 89 CE2 PHE A 6 2.230 -5.936 -0.540 1.00 0.00 C ATOM 90 CZ PHE A 6 1.923 -7.277 -0.293 1.00 0.00 C ATOM 0 H PHE A 6 7.118 -8.387 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 6 5.670 -6.768 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.626 -6.373 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.037 -5.033 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.030 -8.613 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.780 -4.524 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.698 -9.279 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.450 -5.189 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.906 -7.567 -0.073 1.00 0.00 H new ATOM 100 N LYS A 7 7.629 -5.675 -4.233 1.00 0.00 N ATOM 101 CA LYS A 7 8.761 -4.997 -4.864 1.00 0.00 C ATOM 102 C LYS A 7 8.597 -3.483 -4.790 1.00 0.00 C ATOM 103 O LYS A 7 7.518 -2.948 -5.043 1.00 0.00 O ATOM 104 CB LYS A 7 8.880 -5.421 -6.331 1.00 0.00 C ATOM 105 CG LYS A 7 9.569 -6.789 -6.423 1.00 0.00 C ATOM 106 CD LYS A 7 11.093 -6.606 -6.442 1.00 0.00 C ATOM 107 CE LYS A 7 11.571 -6.399 -7.882 1.00 0.00 C ATOM 108 NZ LYS A 7 11.513 -7.695 -8.616 1.00 0.00 N ATOM 0 H LYS A 7 6.806 -5.771 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 7 9.666 -5.281 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.891 -5.471 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.450 -4.678 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.279 -7.410 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.245 -7.309 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.374 -5.749 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.579 -7.480 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.946 -5.658 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.590 -6.012 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.170 -7.667 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.783 -8.469 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.546 -7.854 -8.963 1.00 0.00 H new ATOM 122 N ASN A 8 9.683 -2.799 -4.443 1.00 0.00 N ATOM 123 CA ASN A 8 9.662 -1.342 -4.332 1.00 0.00 C ATOM 124 C ASN A 8 10.186 -0.685 -5.608 1.00 0.00 C ATOM 125 O ASN A 8 10.194 -1.294 -6.677 1.00 0.00 O ATOM 126 CB ASN A 8 10.503 -0.894 -3.133 1.00 0.00 C ATOM 127 CG ASN A 8 11.990 -0.949 -3.476 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.372 -1.527 -4.491 1.00 0.00 O ATOM 129 ND2 ASN A 8 12.853 -0.377 -2.682 1.00 0.00 N ATOM 0 H ASN A 8 10.585 -3.227 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 8 8.628 -1.029 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.227 0.121 -2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.297 -1.535 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.848 -0.409 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.532 0.102 -1.840 1.00 0.00 H new ATOM 136 N PHE A 9 10.607 0.573 -5.485 1.00 0.00 N ATOM 137 CA PHE A 9 11.115 1.326 -6.628 1.00 0.00 C ATOM 138 C PHE A 9 12.591 1.033 -6.900 1.00 0.00 C ATOM 139 O PHE A 9 13.065 1.211 -8.023 1.00 0.00 O ATOM 140 CB PHE A 9 10.937 2.822 -6.376 1.00 0.00 C ATOM 141 CG PHE A 9 11.436 3.599 -7.571 1.00 0.00 C ATOM 142 CD1 PHE A 9 10.638 3.712 -8.716 1.00 0.00 C ATOM 143 CD2 PHE A 9 12.697 4.208 -7.534 1.00 0.00 C ATOM 144 CE1 PHE A 9 11.100 4.432 -9.823 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.158 4.929 -8.641 1.00 0.00 C ATOM 146 CZ PHE A 9 12.361 5.041 -9.786 1.00 0.00 C ATOM 0 H PHE A 9 10.606 1.091 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 9 10.545 1.016 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.886 3.048 -6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.485 3.118 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.665 3.243 -8.745 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.313 4.121 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.484 4.518 -10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.130 5.399 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.718 5.597 -10.641 1.00 0.00 H new ATOM 156 N LYS A 10 13.323 0.595 -5.877 1.00 0.00 N ATOM 157 CA LYS A 10 14.742 0.300 -6.043 1.00 0.00 C ATOM 158 C LYS A 10 14.934 -1.191 -6.298 1.00 0.00 C ATOM 159 O LYS A 10 16.052 -1.663 -6.482 1.00 0.00 O ATOM 160 CB LYS A 10 15.515 0.777 -4.791 1.00 0.00 C ATOM 161 CG LYS A 10 15.960 -0.406 -3.912 1.00 0.00 C ATOM 162 CD LYS A 10 17.345 -0.914 -4.363 1.00 0.00 C ATOM 163 CE LYS A 10 17.370 -2.448 -4.380 1.00 0.00 C ATOM 164 NZ LYS A 10 18.404 -2.913 -5.348 1.00 0.00 N ATOM 0 H LYS A 10 12.961 0.439 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 10 15.138 0.834 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.389 1.350 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.884 1.447 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.000 -0.097 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.230 -1.212 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.575 -0.529 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.115 -0.538 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.590 -2.831 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.391 -2.836 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.507 -3.945 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.114 -2.660 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.313 -2.458 -5.130 1.00 0.00 H new ATOM 178 N LYS A 11 13.816 -1.913 -6.316 1.00 0.00 N ATOM 179 CA LYS A 11 13.814 -3.356 -6.550 1.00 0.00 C ATOM 180 C LYS A 11 14.103 -4.126 -5.261 1.00 0.00 C ATOM 181 O LYS A 11 14.969 -5.001 -5.230 1.00 0.00 O ATOM 182 CB LYS A 11 14.844 -3.748 -7.619 1.00 0.00 C ATOM 183 CG LYS A 11 14.598 -2.946 -8.903 1.00 0.00 C ATOM 184 CD LYS A 11 13.402 -3.533 -9.662 1.00 0.00 C ATOM 185 CE LYS A 11 13.408 -3.015 -11.101 1.00 0.00 C ATOM 186 NZ LYS A 11 14.678 -3.419 -11.770 1.00 0.00 N ATOM 0 H LYS A 11 12.888 -1.516 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 11 12.818 -3.620 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.852 -3.560 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.775 -4.815 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.408 -1.901 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.487 -2.969 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.452 -4.622 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.471 -3.254 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.554 -3.416 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.310 -1.929 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.506 -3.559 -12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.392 -2.674 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.023 -4.306 -11.352 1.00 0.00 H new ATOM 200 N GLU A 12 13.351 -3.812 -4.205 1.00 0.00 N ATOM 201 CA GLU A 12 13.509 -4.501 -2.924 1.00 0.00 C ATOM 202 C GLU A 12 12.321 -5.423 -2.698 1.00 0.00 C ATOM 203 O GLU A 12 11.178 -5.023 -2.898 1.00 0.00 O ATOM 204 CB GLU A 12 13.578 -3.499 -1.766 1.00 0.00 C ATOM 205 CG GLU A 12 14.923 -2.758 -1.779 1.00 0.00 C ATOM 206 CD GLU A 12 15.726 -3.094 -0.524 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.714 -4.248 -0.129 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.339 -2.193 0.022 1.00 0.00 O ATOM 0 H GLU A 12 12.631 -3.090 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 12 14.438 -5.071 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.760 -2.783 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.452 -4.021 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.490 -3.036 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.753 -1.683 -1.833 1.00 0.00 H new ATOM 215 N LYS A 13 12.590 -6.651 -2.277 1.00 0.00 N ATOM 216 CA LYS A 13 11.519 -7.607 -2.033 1.00 0.00 C ATOM 217 C LYS A 13 11.267 -7.768 -0.543 1.00 0.00 C ATOM 218 O LYS A 13 12.190 -8.003 0.238 1.00 0.00 O ATOM 219 CB LYS A 13 11.873 -8.968 -2.633 1.00 0.00 C ATOM 220 CG LYS A 13 13.356 -9.275 -2.383 1.00 0.00 C ATOM 221 CD LYS A 13 14.241 -8.477 -3.361 1.00 0.00 C ATOM 222 CE LYS A 13 15.103 -9.438 -4.187 1.00 0.00 C ATOM 223 NZ LYS A 13 16.087 -8.657 -4.988 1.00 0.00 N ATOM 0 H LYS A 13 13.529 -7.006 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 13 10.615 -7.224 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.251 -9.745 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.667 -8.969 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.618 -9.022 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.539 -10.343 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.617 -7.875 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.878 -7.787 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.624 -10.134 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.472 -10.034 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.673 -9.308 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.580 -8.010 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.696 -8.107 -4.349 1.00 0.00 H new ATOM 237 N VAL A 14 10.003 -7.647 -0.164 1.00 0.00 N ATOM 238 CA VAL A 14 9.605 -7.788 1.232 1.00 0.00 C ATOM 239 C VAL A 14 8.571 -8.906 1.359 1.00 0.00 C ATOM 240 O VAL A 14 7.378 -8.682 1.148 1.00 0.00 O ATOM 241 CB VAL A 14 9.007 -6.472 1.745 1.00 0.00 C ATOM 242 CG1 VAL A 14 9.100 -6.425 3.272 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.784 -5.295 1.153 1.00 0.00 C ATOM 0 H VAL A 14 9.233 -7.451 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 14 10.483 -8.035 1.829 1.00 0.00 H new ATOM 0 HB VAL A 14 7.961 -6.409 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.674 -5.489 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.547 -7.263 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.145 -6.490 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.360 -4.359 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.830 -5.361 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.717 -5.325 0.065 1.00 0.00 H new ATOM 253 N PRO A 15 9.003 -10.102 1.677 1.00 0.00 N ATOM 254 CA PRO A 15 8.090 -11.272 1.816 1.00 0.00 C ATOM 255 C PRO A 15 6.928 -11.003 2.766 1.00 0.00 C ATOM 256 O PRO A 15 7.095 -10.383 3.816 1.00 0.00 O ATOM 257 CB PRO A 15 8.985 -12.388 2.359 1.00 0.00 C ATOM 258 CG PRO A 15 10.375 -12.004 1.975 1.00 0.00 C ATOM 259 CD PRO A 15 10.406 -10.475 1.933 1.00 0.00 C ATOM 0 HA PRO A 15 7.621 -11.522 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.887 -12.479 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.712 -13.353 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.097 -12.387 2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.640 -12.424 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.766 -10.056 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.067 -10.110 1.147 1.00 0.00 H new ATOM 267 N LEU A 16 5.755 -11.490 2.381 1.00 0.00 N ATOM 268 CA LEU A 16 4.550 -11.321 3.185 1.00 0.00 C ATOM 269 C LEU A 16 3.622 -12.514 3.001 1.00 0.00 C ATOM 270 O LEU A 16 3.552 -13.097 1.922 1.00 0.00 O ATOM 271 CB LEU A 16 3.811 -10.045 2.769 1.00 0.00 C ATOM 272 CG LEU A 16 4.439 -8.832 3.454 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.869 -7.549 2.838 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.136 -8.860 4.960 1.00 0.00 C ATOM 0 H LEU A 16 5.612 -12.007 1.514 1.00 0.00 H new ATOM 0 HA LEU A 16 4.845 -11.247 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.855 -9.925 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.758 -10.120 3.038 1.00 0.00 H new ATOM 0 HG LEU A 16 5.519 -8.859 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.315 -6.682 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.097 -7.524 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.788 -7.527 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.588 -7.991 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.057 -8.839 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.547 -9.770 5.397 1.00 0.00 H new ATOM 286 N ASP A 17 2.899 -12.857 4.059 1.00 0.00 N ATOM 287 CA ASP A 17 1.958 -13.972 4.004 1.00 0.00 C ATOM 288 C ASP A 17 0.559 -13.489 4.364 1.00 0.00 C ATOM 289 O ASP A 17 0.374 -12.777 5.351 1.00 0.00 O ATOM 290 CB ASP A 17 2.378 -15.071 4.976 1.00 0.00 C ATOM 291 CG ASP A 17 2.520 -14.501 6.382 1.00 0.00 C ATOM 292 OD1 ASP A 17 3.428 -13.714 6.593 1.00 0.00 O ATOM 293 OD2 ASP A 17 1.718 -14.858 7.229 1.00 0.00 O ATOM 0 H ASP A 17 2.944 -12.384 4.961 1.00 0.00 H new ATOM 0 HA ASP A 17 1.957 -14.373 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.639 -15.872 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.323 -15.509 4.656 1.00 0.00 H new ATOM 298 N LEU A 18 -0.423 -13.873 3.556 1.00 0.00 N ATOM 299 CA LEU A 18 -1.805 -13.460 3.798 1.00 0.00 C ATOM 300 C LEU A 18 -2.778 -14.610 3.580 1.00 0.00 C ATOM 301 O LEU A 18 -2.377 -15.741 3.307 1.00 0.00 O ATOM 302 CB LEU A 18 -2.173 -12.314 2.855 1.00 0.00 C ATOM 303 CG LEU A 18 -1.410 -11.040 3.255 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.532 -10.577 2.090 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.412 -9.938 3.610 1.00 0.00 C ATOM 0 H LEU A 18 -0.293 -14.464 2.735 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.878 -13.136 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.931 -12.585 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.247 -12.132 2.892 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.779 -11.252 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.007 -9.674 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.182 -11.361 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.159 -10.365 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.873 -9.034 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.043 -9.728 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.034 -10.266 4.443 1.00 0.00 H new ATOM 317 N GLU A 19 -4.067 -14.299 3.702 1.00 0.00 N ATOM 318 CA GLU A 19 -5.119 -15.293 3.517 1.00 0.00 C ATOM 319 C GLU A 19 -6.102 -14.816 2.446 1.00 0.00 C ATOM 320 O GLU A 19 -6.285 -13.614 2.261 1.00 0.00 O ATOM 321 CB GLU A 19 -5.857 -15.508 4.844 1.00 0.00 C ATOM 322 CG GLU A 19 -4.866 -15.388 6.004 1.00 0.00 C ATOM 323 CD GLU A 19 -3.688 -16.330 5.783 1.00 0.00 C ATOM 324 OE1 GLU A 19 -3.927 -17.481 5.457 1.00 0.00 O ATOM 325 OE2 GLU A 19 -2.562 -15.886 5.944 1.00 0.00 O ATOM 0 H GLU A 19 -4.407 -13.364 3.929 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.674 -16.235 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.653 -14.771 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.329 -16.490 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.511 -14.361 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.363 -15.628 6.944 1.00 0.00 H new ATOM 332 N PRO A 20 -6.740 -15.719 1.746 1.00 0.00 N ATOM 333 CA PRO A 20 -7.721 -15.355 0.685 1.00 0.00 C ATOM 334 C PRO A 20 -8.737 -14.340 1.192 1.00 0.00 C ATOM 335 O PRO A 20 -9.292 -13.557 0.420 1.00 0.00 O ATOM 336 CB PRO A 20 -8.412 -16.680 0.323 1.00 0.00 C ATOM 337 CG PRO A 20 -7.890 -17.717 1.271 1.00 0.00 C ATOM 338 CD PRO A 20 -6.601 -17.172 1.881 1.00 0.00 C ATOM 0 HA PRO A 20 -7.236 -14.889 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.495 -16.587 0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.198 -16.958 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.623 -17.929 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.700 -18.654 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.495 -17.469 2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.721 -17.541 1.354 1.00 0.00 H new ATOM 346 N SER A 21 -8.979 -14.367 2.495 1.00 0.00 N ATOM 347 CA SER A 21 -9.938 -13.449 3.102 1.00 0.00 C ATOM 348 C SER A 21 -9.287 -12.105 3.395 1.00 0.00 C ATOM 349 O SER A 21 -9.952 -11.069 3.363 1.00 0.00 O ATOM 350 CB SER A 21 -10.492 -14.047 4.396 1.00 0.00 C ATOM 351 OG SER A 21 -9.514 -13.933 5.422 1.00 0.00 O ATOM 0 H SER A 21 -8.530 -15.008 3.149 1.00 0.00 H new ATOM 0 HA SER A 21 -10.755 -13.294 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.405 -13.528 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.755 -15.094 4.243 1.00 0.00 H new ATOM 0 HG SER A 21 -9.866 -14.314 6.253 1.00 0.00 H new ATOM 357 N ASN A 22 -7.985 -12.116 3.656 1.00 0.00 N ATOM 358 CA ASN A 22 -7.281 -10.877 3.919 1.00 0.00 C ATOM 359 C ASN A 22 -7.488 -9.955 2.731 1.00 0.00 C ATOM 360 O ASN A 22 -7.900 -10.404 1.662 1.00 0.00 O ATOM 361 CB ASN A 22 -5.784 -11.149 4.129 1.00 0.00 C ATOM 362 CG ASN A 22 -5.372 -10.784 5.554 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.729 -11.580 6.238 1.00 0.00 O ATOM 364 ND2 ASN A 22 -5.708 -9.623 6.043 1.00 0.00 N ATOM 0 H ASN A 22 -7.408 -12.956 3.690 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.667 -10.412 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.569 -12.201 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.199 -10.570 3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.438 -9.373 6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.241 -8.965 5.474 1.00 0.00 H new ATOM 371 N THR A 23 -7.221 -8.675 2.908 1.00 0.00 N ATOM 372 CA THR A 23 -7.413 -7.736 1.814 1.00 0.00 C ATOM 373 C THR A 23 -6.369 -6.633 1.818 1.00 0.00 C ATOM 374 O THR A 23 -5.721 -6.359 2.829 1.00 0.00 O ATOM 375 CB THR A 23 -8.821 -7.132 1.882 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.764 -5.748 1.566 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.387 -7.315 3.286 1.00 0.00 C ATOM 0 H THR A 23 -6.878 -8.266 3.777 1.00 0.00 H new ATOM 0 HA THR A 23 -7.298 -8.289 0.882 1.00 0.00 H new ATOM 0 HB THR A 23 -9.466 -7.638 1.163 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.834 -5.631 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.388 -6.886 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.437 -8.378 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.742 -6.813 4.007 1.00 0.00 H new ATOM 385 N ILE A 24 -6.224 -6.014 0.657 1.00 0.00 N ATOM 386 CA ILE A 24 -5.276 -4.940 0.457 1.00 0.00 C ATOM 387 C ILE A 24 -5.175 -4.048 1.680 1.00 0.00 C ATOM 388 O ILE A 24 -4.091 -3.603 2.039 1.00 0.00 O ATOM 389 CB ILE A 24 -5.730 -4.112 -0.743 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.000 -5.018 -1.957 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.666 -3.085 -1.088 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.965 -6.139 -2.035 1.00 0.00 C ATOM 0 H ILE A 24 -6.766 -6.247 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.291 -5.371 0.281 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.657 -3.600 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.000 -5.444 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.972 -4.426 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.993 -2.496 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.506 -2.426 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.734 -3.595 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.174 -6.768 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.969 -5.708 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.013 -6.742 -1.128 1.00 0.00 H new ATOM 404 N LEU A 25 -6.298 -3.786 2.318 1.00 0.00 N ATOM 405 CA LEU A 25 -6.283 -2.947 3.503 1.00 0.00 C ATOM 406 C LEU A 25 -5.260 -3.487 4.487 1.00 0.00 C ATOM 407 O LEU A 25 -4.429 -2.752 5.020 1.00 0.00 O ATOM 408 CB LEU A 25 -7.666 -2.937 4.158 1.00 0.00 C ATOM 409 CG LEU A 25 -7.758 -1.771 5.144 1.00 0.00 C ATOM 410 CD1 LEU A 25 -9.216 -1.577 5.569 1.00 0.00 C ATOM 411 CD2 LEU A 25 -6.890 -2.045 6.384 1.00 0.00 C ATOM 0 H LEU A 25 -7.217 -4.133 2.044 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.019 -1.929 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.440 -2.844 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.841 -3.880 4.677 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.394 -0.867 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.283 -0.746 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.825 -1.360 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.580 -2.487 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.967 -1.205 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.236 -2.954 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.851 -2.170 6.080 1.00 0.00 H new ATOM 423 N GLU A 26 -5.346 -4.786 4.723 1.00 0.00 N ATOM 424 CA GLU A 26 -4.449 -5.457 5.655 1.00 0.00 C ATOM 425 C GLU A 26 -3.033 -5.591 5.100 1.00 0.00 C ATOM 426 O GLU A 26 -2.066 -5.375 5.830 1.00 0.00 O ATOM 427 CB GLU A 26 -4.999 -6.842 6.001 1.00 0.00 C ATOM 428 CG GLU A 26 -6.323 -6.692 6.754 1.00 0.00 C ATOM 429 CD GLU A 26 -6.059 -6.272 8.197 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.474 -7.057 8.924 1.00 0.00 O ATOM 431 OE2 GLU A 26 -6.446 -5.172 8.554 1.00 0.00 O ATOM 0 H GLU A 26 -6.030 -5.400 4.281 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.394 -4.841 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.150 -7.423 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.281 -7.388 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.950 -5.950 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.870 -7.635 6.735 1.00 0.00 H new ATOM 438 N THR A 27 -2.891 -5.934 3.819 1.00 0.00 N ATOM 439 CA THR A 27 -1.554 -6.061 3.257 1.00 0.00 C ATOM 440 C THR A 27 -0.876 -4.702 3.326 1.00 0.00 C ATOM 441 O THR A 27 0.288 -4.589 3.710 1.00 0.00 O ATOM 442 CB THR A 27 -1.634 -6.593 1.815 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.782 -7.723 1.687 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.201 -5.520 0.816 1.00 0.00 C ATOM 0 H THR A 27 -3.658 -6.122 3.174 1.00 0.00 H new ATOM 0 HA THR A 27 -0.963 -6.778 3.827 1.00 0.00 H new ATOM 0 HB THR A 27 -2.666 -6.872 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.830 -8.067 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.266 -5.918 -0.197 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.855 -4.653 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.173 -5.223 1.024 1.00 0.00 H new ATOM 452 N LYS A 28 -1.633 -3.674 2.979 1.00 0.00 N ATOM 453 CA LYS A 28 -1.129 -2.311 3.028 1.00 0.00 C ATOM 454 C LYS A 28 -0.734 -1.945 4.458 1.00 0.00 C ATOM 455 O LYS A 28 0.278 -1.280 4.677 1.00 0.00 O ATOM 456 CB LYS A 28 -2.201 -1.340 2.541 1.00 0.00 C ATOM 457 CG LYS A 28 -2.241 -1.331 1.012 1.00 0.00 C ATOM 458 CD LYS A 28 -2.900 -0.038 0.548 1.00 0.00 C ATOM 459 CE LYS A 28 -2.971 -0.001 -0.981 1.00 0.00 C ATOM 460 NZ LYS A 28 -1.711 0.580 -1.521 1.00 0.00 N ATOM 0 H LYS A 28 -2.598 -3.757 2.660 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.254 -2.243 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.174 -1.631 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.992 -0.337 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.232 -1.407 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.798 -2.192 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.903 0.039 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.335 0.819 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.118 -1.007 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.826 0.594 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.810 0.732 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.519 1.489 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.923 -0.074 -1.342 1.00 0.00 H new ATOM 474 N THR A 29 -1.536 -2.384 5.431 1.00 0.00 N ATOM 475 CA THR A 29 -1.247 -2.088 6.826 1.00 0.00 C ATOM 476 C THR A 29 0.027 -2.804 7.257 1.00 0.00 C ATOM 477 O THR A 29 0.907 -2.206 7.877 1.00 0.00 O ATOM 478 CB THR A 29 -2.427 -2.525 7.699 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.389 -1.480 7.747 1.00 0.00 O ATOM 480 CG2 THR A 29 -1.946 -2.838 9.115 1.00 0.00 C ATOM 0 H THR A 29 -2.378 -2.938 5.277 1.00 0.00 H new ATOM 0 HA THR A 29 -1.098 -1.015 6.944 1.00 0.00 H new ATOM 0 HB THR A 29 -2.876 -3.421 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.977 -1.540 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.793 -3.148 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.211 -3.642 9.080 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.491 -1.948 9.550 1.00 0.00 H new ATOM 488 N LYS A 30 0.123 -4.084 6.921 1.00 0.00 N ATOM 489 CA LYS A 30 1.300 -4.862 7.276 1.00 0.00 C ATOM 490 C LYS A 30 2.530 -4.285 6.588 1.00 0.00 C ATOM 491 O LYS A 30 3.477 -3.856 7.246 1.00 0.00 O ATOM 492 CB LYS A 30 1.114 -6.322 6.862 1.00 0.00 C ATOM 493 CG LYS A 30 2.294 -7.154 7.372 1.00 0.00 C ATOM 494 CD LYS A 30 2.153 -7.398 8.880 1.00 0.00 C ATOM 495 CE LYS A 30 3.017 -8.592 9.289 1.00 0.00 C ATOM 496 NZ LYS A 30 2.576 -9.803 8.540 1.00 0.00 N ATOM 0 H LYS A 30 -0.592 -4.600 6.409 1.00 0.00 H new ATOM 0 HA LYS A 30 1.437 -4.816 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.180 -6.710 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.045 -6.397 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.333 -8.107 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.231 -6.636 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.458 -6.509 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.110 -7.588 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.066 -8.384 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.934 -8.764 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.706 -10.646 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.571 -9.709 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.142 -9.900 7.673 1.00 0.00 H new ATOM 510 N LEU A 31 2.507 -4.267 5.257 1.00 0.00 N ATOM 511 CA LEU A 31 3.627 -3.728 4.498 1.00 0.00 C ATOM 512 C LEU A 31 4.103 -2.424 5.128 1.00 0.00 C ATOM 513 O LEU A 31 5.260 -2.033 4.982 1.00 0.00 O ATOM 514 CB LEU A 31 3.194 -3.467 3.054 1.00 0.00 C ATOM 515 CG LEU A 31 4.398 -3.020 2.216 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.378 -4.188 2.050 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.912 -2.551 0.840 1.00 0.00 C ATOM 0 H LEU A 31 1.734 -4.615 4.690 1.00 0.00 H new ATOM 0 HA LEU A 31 4.443 -4.451 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.759 -4.371 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.420 -2.700 3.031 1.00 0.00 H new ATOM 0 HG LEU A 31 4.907 -2.199 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.231 -3.865 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.723 -4.515 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.877 -5.015 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.766 -2.232 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.401 -3.371 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.223 -1.715 0.963 1.00 0.00 H new ATOM 529 N ALA A 32 3.195 -1.761 5.835 1.00 0.00 N ATOM 530 CA ALA A 32 3.521 -0.500 6.493 1.00 0.00 C ATOM 531 C ALA A 32 4.251 -0.760 7.807 1.00 0.00 C ATOM 532 O ALA A 32 5.204 -0.063 8.152 1.00 0.00 O ATOM 533 CB ALA A 32 2.233 0.297 6.753 1.00 0.00 C ATOM 0 H ALA A 32 2.233 -2.073 5.967 1.00 0.00 H new ATOM 0 HA ALA A 32 4.176 0.079 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.480 1.238 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.735 0.502 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.569 -0.283 7.394 1.00 0.00 H new ATOM 539 N GLN A 33 3.793 -1.770 8.534 1.00 0.00 N ATOM 540 CA GLN A 33 4.399 -2.126 9.811 1.00 0.00 C ATOM 541 C GLN A 33 5.658 -2.957 9.594 1.00 0.00 C ATOM 542 O GLN A 33 6.465 -3.132 10.507 1.00 0.00 O ATOM 543 CB GLN A 33 3.405 -2.918 10.663 1.00 0.00 C ATOM 544 CG GLN A 33 2.170 -2.059 10.940 1.00 0.00 C ATOM 545 CD GLN A 33 1.039 -2.931 11.476 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.171 -4.154 11.531 1.00 0.00 O ATOM 547 NE2 GLN A 33 -0.070 -2.372 11.875 1.00 0.00 N ATOM 0 H GLN A 33 3.005 -2.357 8.262 1.00 0.00 H new ATOM 0 HA GLN A 33 4.668 -1.206 10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.116 -3.833 10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.872 -3.216 11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.413 -1.280 11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.852 -1.558 10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.176 -1.359 11.828 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.831 -2.948 12.234 1.00 0.00 H new ATOM 556 N SER A 34 5.818 -3.465 8.379 1.00 0.00 N ATOM 557 CA SER A 34 6.981 -4.276 8.048 1.00 0.00 C ATOM 558 C SER A 34 8.183 -3.377 7.813 1.00 0.00 C ATOM 559 O SER A 34 9.264 -3.609 8.354 1.00 0.00 O ATOM 560 CB SER A 34 6.705 -5.104 6.792 1.00 0.00 C ATOM 561 OG SER A 34 7.766 -6.028 6.595 1.00 0.00 O ATOM 0 H SER A 34 5.161 -3.331 7.611 1.00 0.00 H new ATOM 0 HA SER A 34 7.190 -4.950 8.879 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.759 -5.636 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.611 -4.450 5.925 1.00 0.00 H new ATOM 0 HG SER A 34 7.591 -6.561 5.791 1.00 0.00 H new ATOM 567 N ILE A 35 7.979 -2.340 7.011 1.00 0.00 N ATOM 568 CA ILE A 35 9.034 -1.396 6.714 1.00 0.00 C ATOM 569 C ILE A 35 8.856 -0.146 7.567 1.00 0.00 C ATOM 570 O ILE A 35 9.724 0.726 7.598 1.00 0.00 O ATOM 571 CB ILE A 35 9.004 -1.047 5.228 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.816 -0.125 4.928 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.872 -2.335 4.410 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.566 -0.077 3.414 1.00 0.00 C ATOM 0 H ILE A 35 7.089 -2.136 6.557 1.00 0.00 H new ATOM 0 HA ILE A 35 10.002 -1.839 6.947 1.00 0.00 H new ATOM 0 HB ILE A 35 9.927 -0.533 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.925 -0.486 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.018 0.878 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.850 -2.091 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.722 -2.985 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.949 -2.847 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.721 0.579 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.454 0.304 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.345 -1.080 3.050 1.00 0.00 H new ATOM 586 N SER A 36 7.725 -0.078 8.273 1.00 0.00 N ATOM 587 CA SER A 36 7.438 1.060 9.147 1.00 0.00 C ATOM 588 C SER A 36 6.823 2.218 8.367 1.00 0.00 C ATOM 589 O SER A 36 6.894 3.372 8.791 1.00 0.00 O ATOM 590 CB SER A 36 8.718 1.529 9.845 1.00 0.00 C ATOM 591 OG SER A 36 8.386 2.067 11.119 1.00 0.00 O ATOM 0 H SER A 36 6.998 -0.793 8.257 1.00 0.00 H new ATOM 0 HA SER A 36 6.717 0.730 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.411 0.695 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.222 2.282 9.239 1.00 0.00 H new ATOM 0 HG SER A 36 9.203 2.367 11.570 1.00 0.00 H new ATOM 597 N CYS A 37 6.207 1.902 7.235 1.00 0.00 N ATOM 598 CA CYS A 37 5.564 2.920 6.411 1.00 0.00 C ATOM 599 C CYS A 37 4.080 2.979 6.744 1.00 0.00 C ATOM 600 O CYS A 37 3.618 2.287 7.649 1.00 0.00 O ATOM 601 CB CYS A 37 5.752 2.593 4.928 1.00 0.00 C ATOM 602 SG CYS A 37 7.330 3.271 4.357 1.00 0.00 S ATOM 0 H CYS A 37 6.139 0.953 6.867 1.00 0.00 H new ATOM 0 HA CYS A 37 6.020 3.888 6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.732 1.514 4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.932 3.012 4.345 1.00 0.00 H new ATOM 0 HG CYS A 37 7.218 4.556 4.197 1.00 0.00 H new ATOM 608 N GLU A 38 3.338 3.807 6.018 1.00 0.00 N ATOM 609 CA GLU A 38 1.903 3.934 6.255 1.00 0.00 C ATOM 610 C GLU A 38 1.117 3.391 5.061 1.00 0.00 C ATOM 611 O GLU A 38 1.583 3.438 3.922 1.00 0.00 O ATOM 612 CB GLU A 38 1.541 5.404 6.519 1.00 0.00 C ATOM 613 CG GLU A 38 1.135 6.091 5.214 1.00 0.00 C ATOM 614 CD GLU A 38 1.138 7.605 5.397 1.00 0.00 C ATOM 615 OE1 GLU A 38 1.865 8.077 6.255 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.413 8.271 4.676 1.00 0.00 O ATOM 0 H GLU A 38 3.700 4.395 5.268 1.00 0.00 H new ATOM 0 HA GLU A 38 1.637 3.347 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.724 5.461 7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.392 5.922 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.824 5.812 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.143 5.755 4.910 1.00 0.00 H new ATOM 623 N GLU A 39 -0.075 2.876 5.336 1.00 0.00 N ATOM 624 CA GLU A 39 -0.929 2.318 4.287 1.00 0.00 C ATOM 625 C GLU A 39 -1.604 3.432 3.499 1.00 0.00 C ATOM 626 O GLU A 39 -2.079 3.225 2.382 1.00 0.00 O ATOM 627 CB GLU A 39 -2.004 1.396 4.887 1.00 0.00 C ATOM 628 CG GLU A 39 -2.651 2.039 6.120 1.00 0.00 C ATOM 629 CD GLU A 39 -3.365 3.327 5.730 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.939 3.363 4.654 1.00 0.00 O ATOM 631 OE2 GLU A 39 -3.329 4.261 6.515 1.00 0.00 O ATOM 0 H GLU A 39 -0.474 2.832 6.273 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.295 1.735 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.768 1.186 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.557 0.441 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.360 1.345 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.889 2.250 6.871 1.00 0.00 H new ATOM 638 N SER A 40 -1.665 4.603 4.109 1.00 0.00 N ATOM 639 CA SER A 40 -2.313 5.756 3.488 1.00 0.00 C ATOM 640 C SER A 40 -1.455 6.393 2.393 1.00 0.00 C ATOM 641 O SER A 40 -1.914 7.299 1.698 1.00 0.00 O ATOM 642 CB SER A 40 -2.637 6.803 4.555 1.00 0.00 C ATOM 643 OG SER A 40 -3.713 7.614 4.104 1.00 0.00 O ATOM 0 H SER A 40 -1.275 4.785 5.034 1.00 0.00 H new ATOM 0 HA SER A 40 -3.228 5.396 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.903 6.314 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.760 7.419 4.754 1.00 0.00 H new ATOM 0 HG SER A 40 -3.553 7.882 3.175 1.00 0.00 H new ATOM 649 N GLN A 41 -0.220 5.924 2.231 1.00 0.00 N ATOM 650 CA GLN A 41 0.662 6.475 1.202 1.00 0.00 C ATOM 651 C GLN A 41 1.099 5.372 0.250 1.00 0.00 C ATOM 652 O GLN A 41 1.402 5.615 -0.918 1.00 0.00 O ATOM 653 CB GLN A 41 1.884 7.128 1.858 1.00 0.00 C ATOM 654 CG GLN A 41 2.994 6.094 2.013 1.00 0.00 C ATOM 655 CD GLN A 41 4.033 6.581 3.017 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.781 5.780 3.576 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.122 7.854 3.279 1.00 0.00 N ATOM 0 H GLN A 41 0.189 5.175 2.789 1.00 0.00 H new ATOM 0 HA GLN A 41 0.122 7.233 0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.233 7.963 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.613 7.534 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.573 5.145 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.468 5.911 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.500 8.515 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.814 8.190 3.950 1.00 0.00 H new ATOM 666 N ILE A 42 1.139 4.162 0.780 1.00 0.00 N ATOM 667 CA ILE A 42 1.546 3.002 0.022 1.00 0.00 C ATOM 668 C ILE A 42 0.560 2.695 -1.101 1.00 0.00 C ATOM 669 O ILE A 42 -0.653 2.827 -0.942 1.00 0.00 O ATOM 670 CB ILE A 42 1.656 1.823 0.998 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.127 1.540 1.292 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.993 0.569 0.431 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.224 0.685 2.550 1.00 0.00 C ATOM 0 H ILE A 42 0.889 3.961 1.748 1.00 0.00 H new ATOM 0 HA ILE A 42 2.508 3.189 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 42 1.138 2.092 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.587 1.024 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.671 2.475 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.088 -0.248 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.063 0.768 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.480 0.291 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.271 0.477 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.777 1.219 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.693 -0.254 2.394 1.00 0.00 H new ATOM 685 N LYS A 43 1.109 2.270 -2.232 1.00 0.00 N ATOM 686 CA LYS A 43 0.306 1.918 -3.399 1.00 0.00 C ATOM 687 C LYS A 43 0.623 0.486 -3.820 1.00 0.00 C ATOM 688 O LYS A 43 1.777 0.152 -4.087 1.00 0.00 O ATOM 689 CB LYS A 43 0.615 2.871 -4.556 1.00 0.00 C ATOM 690 CG LYS A 43 0.511 4.323 -4.076 1.00 0.00 C ATOM 691 CD LYS A 43 -0.946 4.653 -3.738 1.00 0.00 C ATOM 692 CE LYS A 43 -1.129 6.171 -3.699 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.024 6.784 -2.908 1.00 0.00 N ATOM 0 H LYS A 43 2.114 2.160 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.750 2.000 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.616 2.677 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.082 2.699 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.140 4.472 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.877 4.999 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.611 4.215 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.214 4.219 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.133 6.574 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.092 6.421 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.288 7.752 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.146 6.218 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.842 6.810 -3.484 1.00 0.00 H new ATOM 707 N LEU A 44 -0.403 -0.361 -3.869 1.00 0.00 N ATOM 708 CA LEU A 44 -0.209 -1.758 -4.249 1.00 0.00 C ATOM 709 C LEU A 44 -0.492 -1.952 -5.737 1.00 0.00 C ATOM 710 O LEU A 44 -1.636 -1.859 -6.180 1.00 0.00 O ATOM 711 CB LEU A 44 -1.132 -2.658 -3.417 1.00 0.00 C ATOM 712 CG LEU A 44 -0.347 -3.291 -2.258 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.674 -4.297 -2.814 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.378 -2.197 -1.457 1.00 0.00 C ATOM 0 H LEU A 44 -1.367 -0.108 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 44 0.828 -2.032 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.966 -2.075 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.557 -3.439 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.040 -3.812 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.230 -4.745 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.151 -5.078 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.366 -3.782 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.932 -2.653 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.069 -1.665 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.353 -1.496 -1.055 1.00 0.00 H new ATOM 726 N ILE A 45 0.569 -2.199 -6.502 1.00 0.00 N ATOM 727 CA ILE A 45 0.452 -2.378 -7.941 1.00 0.00 C ATOM 728 C ILE A 45 0.426 -3.859 -8.306 1.00 0.00 C ATOM 729 O ILE A 45 1.346 -4.607 -7.974 1.00 0.00 O ATOM 730 CB ILE A 45 1.659 -1.729 -8.627 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.705 -0.203 -8.397 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.593 -2.001 -10.129 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.882 0.222 -7.187 1.00 0.00 C ATOM 0 H ILE A 45 1.521 -2.279 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.478 -1.914 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 45 2.559 -2.164 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.740 0.111 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.333 0.308 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.450 -1.541 -10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.608 -3.077 -10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.673 -1.580 -10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.945 1.303 -7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.159 -0.066 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.270 -0.267 -6.293 1.00 0.00 H new ATOM 745 N TYR A 46 -0.622 -4.269 -9.021 1.00 0.00 N ATOM 746 CA TYR A 46 -0.745 -5.653 -9.461 1.00 0.00 C ATOM 747 C TYR A 46 -0.576 -5.700 -10.970 1.00 0.00 C ATOM 748 O TYR A 46 -1.449 -5.254 -11.715 1.00 0.00 O ATOM 749 CB TYR A 46 -2.118 -6.208 -9.075 1.00 0.00 C ATOM 750 CG TYR A 46 -2.136 -7.711 -9.253 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.329 -8.526 -8.447 1.00 0.00 C ATOM 752 CD2 TYR A 46 -2.967 -8.290 -10.220 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.354 -9.917 -8.609 1.00 0.00 C ATOM 754 CE2 TYR A 46 -2.992 -9.681 -10.381 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.186 -10.494 -9.576 1.00 0.00 C ATOM 756 OH TYR A 46 -2.210 -11.865 -9.736 1.00 0.00 O ATOM 0 H TYR A 46 -1.392 -3.664 -9.305 1.00 0.00 H new ATOM 0 HA TYR A 46 0.022 -6.261 -8.981 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.345 -5.953 -8.040 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.891 -5.751 -9.692 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.688 -8.081 -7.701 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.589 -7.663 -10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.732 -10.544 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.634 -10.127 -11.127 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.841 -12.100 -10.448 1.00 0.00 H new ATOM 766 N SER A 47 0.555 -6.220 -11.415 1.00 0.00 N ATOM 767 CA SER A 47 0.830 -6.290 -12.839 1.00 0.00 C ATOM 768 C SER A 47 0.621 -4.925 -13.482 1.00 0.00 C ATOM 769 O SER A 47 0.130 -4.825 -14.607 1.00 0.00 O ATOM 770 CB SER A 47 -0.083 -7.322 -13.503 1.00 0.00 C ATOM 771 OG SER A 47 0.210 -7.382 -14.893 1.00 0.00 O ATOM 0 H SER A 47 1.291 -6.596 -10.817 1.00 0.00 H new ATOM 0 HA SER A 47 1.868 -6.593 -12.979 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.063 -8.301 -13.046 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.128 -7.052 -13.351 1.00 0.00 H new ATOM 0 HG SER A 47 0.120 -6.488 -15.285 1.00 0.00 H new ATOM 777 N GLY A 48 0.999 -3.872 -12.759 1.00 0.00 N ATOM 778 CA GLY A 48 0.849 -2.514 -13.270 1.00 0.00 C ATOM 779 C GLY A 48 -0.555 -1.984 -13.004 1.00 0.00 C ATOM 780 O GLY A 48 -1.075 -1.177 -13.775 1.00 0.00 O ATOM 0 H GLY A 48 1.407 -3.933 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.584 -1.861 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.050 -2.500 -14.341 1.00 0.00 H new ATOM 784 N LYS A 49 -1.173 -2.451 -11.919 1.00 0.00 N ATOM 785 CA LYS A 49 -2.530 -2.015 -11.582 1.00 0.00 C ATOM 786 C LYS A 49 -2.607 -1.514 -10.145 1.00 0.00 C ATOM 787 O LYS A 49 -2.315 -2.247 -9.207 1.00 0.00 O ATOM 788 CB LYS A 49 -3.505 -3.183 -11.765 1.00 0.00 C ATOM 789 CG LYS A 49 -4.950 -2.663 -11.838 1.00 0.00 C ATOM 790 CD LYS A 49 -5.597 -2.683 -10.446 1.00 0.00 C ATOM 791 CE LYS A 49 -5.748 -4.129 -9.952 1.00 0.00 C ATOM 792 NZ LYS A 49 -7.058 -4.280 -9.258 1.00 0.00 N ATOM 0 H LYS A 49 -0.764 -3.121 -11.267 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.799 -1.195 -12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.261 -3.730 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.404 -3.883 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.958 -1.648 -12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.531 -3.279 -12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.987 -2.113 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.573 -2.200 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.687 -4.820 -10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.933 -4.380 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.140 -5.245 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.119 -3.595 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.830 -4.106 -9.933 1.00 0.00 H new ATOM 806 N VAL A 50 -3.020 -0.265 -9.977 1.00 0.00 N ATOM 807 CA VAL A 50 -3.138 0.313 -8.644 1.00 0.00 C ATOM 808 C VAL A 50 -4.305 -0.319 -7.883 1.00 0.00 C ATOM 809 O VAL A 50 -5.431 0.173 -7.940 1.00 0.00 O ATOM 810 CB VAL A 50 -3.353 1.824 -8.747 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.345 2.438 -7.346 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.228 2.442 -9.579 1.00 0.00 C ATOM 0 H VAL A 50 -3.277 0.363 -10.739 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.215 0.113 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.312 2.022 -9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.498 3.515 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.145 1.998 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.386 2.240 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.380 3.519 -9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.269 2.243 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.232 2.005 -10.578 1.00 0.00 H new ATOM 822 N LEU A 51 -4.028 -1.412 -7.174 1.00 0.00 N ATOM 823 CA LEU A 51 -5.058 -2.101 -6.410 1.00 0.00 C ATOM 824 C LEU A 51 -5.828 -1.126 -5.529 1.00 0.00 C ATOM 825 O LEU A 51 -5.450 0.038 -5.388 1.00 0.00 O ATOM 826 CB LEU A 51 -4.422 -3.176 -5.525 1.00 0.00 C ATOM 827 CG LEU A 51 -4.028 -4.395 -6.369 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.929 -5.182 -5.643 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.248 -5.302 -6.577 1.00 0.00 C ATOM 0 H LEU A 51 -3.102 -1.836 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.749 -2.561 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.542 -2.771 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.122 -3.476 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.661 -4.057 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.647 -6.049 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.058 -4.542 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.300 -5.515 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.961 -6.166 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.620 -5.640 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.031 -4.746 -7.092 1.00 0.00 H new ATOM 841 N GLN A 52 -6.908 -1.621 -4.933 1.00 0.00 N ATOM 842 CA GLN A 52 -7.740 -0.805 -4.051 1.00 0.00 C ATOM 843 C GLN A 52 -7.770 -1.407 -2.646 1.00 0.00 C ATOM 844 O GLN A 52 -7.349 -2.545 -2.439 1.00 0.00 O ATOM 845 CB GLN A 52 -9.169 -0.700 -4.609 1.00 0.00 C ATOM 846 CG GLN A 52 -9.192 -1.171 -6.065 1.00 0.00 C ATOM 847 CD GLN A 52 -10.539 -0.840 -6.699 1.00 0.00 C ATOM 848 OE1 GLN A 52 -10.672 -0.859 -7.922 1.00 0.00 O ATOM 849 NE2 GLN A 52 -11.551 -0.537 -5.934 1.00 0.00 N ATOM 0 H GLN A 52 -7.229 -2.583 -5.044 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.310 0.195 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.849 -1.306 -4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.520 0.330 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.390 -0.690 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.013 -2.245 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.438 -0.522 -4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.456 -0.315 -6.349 1.00 0.00 H new ATOM 858 N ASP A 53 -8.259 -0.629 -1.687 1.00 0.00 N ATOM 859 CA ASP A 53 -8.330 -1.076 -0.298 1.00 0.00 C ATOM 860 C ASP A 53 -9.549 -1.964 -0.052 1.00 0.00 C ATOM 861 O ASP A 53 -9.658 -2.606 0.993 1.00 0.00 O ATOM 862 CB ASP A 53 -8.417 0.140 0.618 1.00 0.00 C ATOM 863 CG ASP A 53 -7.130 0.952 0.534 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.934 1.615 -0.471 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.357 0.899 1.477 1.00 0.00 O ATOM 0 H ASP A 53 -8.613 0.315 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.432 -1.657 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.267 0.760 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.588 -0.181 1.646 1.00 0.00 H new ATOM 870 N SER A 54 -10.476 -1.968 -1.000 1.00 0.00 N ATOM 871 CA SER A 54 -11.706 -2.750 -0.858 1.00 0.00 C ATOM 872 C SER A 54 -11.629 -4.103 -1.567 1.00 0.00 C ATOM 873 O SER A 54 -12.654 -4.760 -1.751 1.00 0.00 O ATOM 874 CB SER A 54 -12.883 -1.956 -1.424 1.00 0.00 C ATOM 875 OG SER A 54 -14.100 -2.512 -0.944 1.00 0.00 O ATOM 0 H SER A 54 -10.405 -1.444 -1.872 1.00 0.00 H new ATOM 0 HA SER A 54 -11.843 -2.943 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.806 -0.910 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.863 -1.981 -2.514 1.00 0.00 H new ATOM 0 HG SER A 54 -14.099 -3.480 -1.095 1.00 0.00 H new ATOM 881 N LYS A 55 -10.432 -4.522 -1.973 1.00 0.00 N ATOM 882 CA LYS A 55 -10.288 -5.802 -2.666 1.00 0.00 C ATOM 883 C LYS A 55 -9.602 -6.837 -1.782 1.00 0.00 C ATOM 884 O LYS A 55 -8.736 -6.504 -0.974 1.00 0.00 O ATOM 885 CB LYS A 55 -9.467 -5.613 -3.940 1.00 0.00 C ATOM 886 CG LYS A 55 -10.088 -4.513 -4.808 1.00 0.00 C ATOM 887 CD LYS A 55 -11.578 -4.792 -5.036 1.00 0.00 C ATOM 888 CE LYS A 55 -12.056 -4.040 -6.281 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.497 -4.337 -6.517 1.00 0.00 N ATOM 0 H LYS A 55 -9.563 -4.006 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.287 -6.161 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.441 -5.350 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.427 -6.548 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.962 -3.544 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.570 -4.460 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.743 -5.862 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.154 -4.479 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.911 -2.968 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.466 -4.337 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.823 -3.827 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.622 -5.359 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.054 -4.032 -5.693 1.00 0.00 H new ATOM 903 N THR A 56 -9.985 -8.099 -1.958 1.00 0.00 N ATOM 904 CA THR A 56 -9.385 -9.184 -1.190 1.00 0.00 C ATOM 905 C THR A 56 -8.417 -9.968 -2.063 1.00 0.00 C ATOM 906 O THR A 56 -8.631 -10.120 -3.265 1.00 0.00 O ATOM 907 CB THR A 56 -10.457 -10.125 -0.637 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.342 -10.509 -1.679 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.235 -9.424 0.470 1.00 0.00 C ATOM 0 H THR A 56 -10.703 -8.393 -2.621 1.00 0.00 H new ATOM 0 HA THR A 56 -8.845 -8.745 -0.351 1.00 0.00 H new ATOM 0 HB THR A 56 -9.978 -11.015 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.026 -11.113 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.998 -10.097 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.553 -9.143 1.272 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.712 -8.530 0.069 1.00 0.00 H new ATOM 917 N VAL A 57 -7.353 -10.462 -1.451 1.00 0.00 N ATOM 918 CA VAL A 57 -6.352 -11.228 -2.191 1.00 0.00 C ATOM 919 C VAL A 57 -7.036 -12.207 -3.135 1.00 0.00 C ATOM 920 O VAL A 57 -6.505 -12.543 -4.195 1.00 0.00 O ATOM 921 CB VAL A 57 -5.444 -11.991 -1.213 1.00 0.00 C ATOM 922 CG1 VAL A 57 -4.998 -13.327 -1.824 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.207 -11.144 -0.901 1.00 0.00 C ATOM 0 H VAL A 57 -7.157 -10.351 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.743 -10.539 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.003 -12.188 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.356 -13.854 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.874 -13.937 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.447 -13.140 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.562 -11.684 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.661 -10.944 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.516 -10.201 -0.450 1.00 0.00 H new ATOM 933 N SER A 58 -8.212 -12.665 -2.739 1.00 0.00 N ATOM 934 CA SER A 58 -8.960 -13.609 -3.550 1.00 0.00 C ATOM 935 C SER A 58 -9.455 -12.942 -4.825 1.00 0.00 C ATOM 936 O SER A 58 -9.436 -13.544 -5.899 1.00 0.00 O ATOM 937 CB SER A 58 -10.144 -14.144 -2.753 1.00 0.00 C ATOM 938 OG SER A 58 -10.767 -15.194 -3.481 1.00 0.00 O ATOM 0 H SER A 58 -8.667 -12.400 -1.865 1.00 0.00 H new ATOM 0 HA SER A 58 -8.303 -14.435 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.808 -14.509 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.860 -13.344 -2.563 1.00 0.00 H new ATOM 0 HG SER A 58 -11.528 -15.540 -2.969 1.00 0.00 H new ATOM 944 N GLU A 59 -9.898 -11.695 -4.703 1.00 0.00 N ATOM 945 CA GLU A 59 -10.394 -10.960 -5.854 1.00 0.00 C ATOM 946 C GLU A 59 -9.244 -10.273 -6.591 1.00 0.00 C ATOM 947 O GLU A 59 -9.301 -10.082 -7.806 1.00 0.00 O ATOM 948 CB GLU A 59 -11.451 -9.944 -5.397 1.00 0.00 C ATOM 949 CG GLU A 59 -10.805 -8.587 -5.111 1.00 0.00 C ATOM 950 CD GLU A 59 -10.612 -7.814 -6.414 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.584 -7.656 -7.134 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.497 -7.393 -6.672 1.00 0.00 O ATOM 0 H GLU A 59 -9.923 -11.178 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.860 -11.655 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.215 -9.834 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.952 -10.310 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.432 -8.014 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.844 -8.730 -4.618 1.00 0.00 H new ATOM 959 N CYS A 60 -8.199 -9.904 -5.849 1.00 0.00 N ATOM 960 CA CYS A 60 -7.049 -9.242 -6.452 1.00 0.00 C ATOM 961 C CYS A 60 -6.365 -10.172 -7.448 1.00 0.00 C ATOM 962 O CYS A 60 -5.764 -9.721 -8.422 1.00 0.00 O ATOM 963 CB CYS A 60 -6.056 -8.832 -5.363 1.00 0.00 C ATOM 964 SG CYS A 60 -6.962 -8.135 -3.960 1.00 0.00 S ATOM 0 H CYS A 60 -8.128 -10.051 -4.842 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.394 -8.353 -6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.474 -9.696 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.350 -8.100 -5.755 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.050 -8.819 -3.763 1.00 0.00 H new ATOM 970 N GLY A 61 -6.469 -11.473 -7.198 1.00 0.00 N ATOM 971 CA GLY A 61 -5.865 -12.464 -8.082 1.00 0.00 C ATOM 972 C GLY A 61 -4.551 -12.979 -7.511 1.00 0.00 C ATOM 973 O GLY A 61 -3.863 -13.782 -8.143 1.00 0.00 O ATOM 0 H GLY A 61 -6.963 -11.864 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.554 -13.296 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.691 -12.022 -9.063 1.00 0.00 H new ATOM 977 N LEU A 62 -4.202 -12.516 -6.314 1.00 0.00 N ATOM 978 CA LEU A 62 -2.966 -12.944 -5.682 1.00 0.00 C ATOM 979 C LEU A 62 -3.059 -14.399 -5.254 1.00 0.00 C ATOM 980 O LEU A 62 -4.064 -14.832 -4.688 1.00 0.00 O ATOM 981 CB LEU A 62 -2.669 -12.065 -4.467 1.00 0.00 C ATOM 982 CG LEU A 62 -2.163 -10.705 -4.936 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.442 -9.652 -3.863 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.656 -10.780 -5.199 1.00 0.00 C ATOM 0 H LEU A 62 -4.753 -11.852 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.157 -12.845 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.569 -11.942 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.923 -12.543 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.679 -10.428 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.079 -8.682 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.515 -9.594 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.931 -9.928 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.296 -9.807 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.140 -11.061 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.458 -11.525 -5.969 1.00 0.00 H new ATOM 996 N LYS A 63 -1.999 -15.147 -5.530 1.00 0.00 N ATOM 997 CA LYS A 63 -1.953 -16.561 -5.174 1.00 0.00 C ATOM 998 C LYS A 63 -0.772 -16.837 -4.247 1.00 0.00 C ATOM 999 O LYS A 63 -0.271 -15.930 -3.585 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.867 -17.418 -6.445 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.684 -16.970 -7.308 1.00 0.00 C ATOM 1002 CD LYS A 63 0.616 -17.568 -6.765 1.00 0.00 C ATOM 1003 CE LYS A 63 1.666 -17.610 -7.879 1.00 0.00 C ATOM 1004 NZ LYS A 63 2.987 -17.988 -7.304 1.00 0.00 N ATOM 0 H LYS A 63 -1.161 -14.801 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.867 -16.825 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.753 -18.468 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.793 -17.333 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.836 -17.286 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.619 -15.882 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.981 -16.971 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.435 -18.573 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.371 -18.329 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.734 -16.637 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.624 -17.166 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.861 -18.299 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.400 -18.763 -7.862 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.343 -18.092 -4.190 1.00 0.00 N ATOM 1019 CA ASP A 64 0.766 -18.474 -3.324 1.00 0.00 C ATOM 1020 C ASP A 64 2.112 -18.212 -3.988 1.00 0.00 C ATOM 1021 O ASP A 64 2.378 -18.687 -5.092 1.00 0.00 O ATOM 1022 CB ASP A 64 0.657 -19.957 -2.966 1.00 0.00 C ATOM 1023 CG ASP A 64 0.762 -20.807 -4.228 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.263 -21.047 -4.843 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.866 -21.204 -4.560 1.00 0.00 O ATOM 0 H ASP A 64 -0.744 -18.859 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 64 0.707 -17.866 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.448 -20.230 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.292 -20.150 -2.465 1.00 0.00 H new ATOM 1030 N GLY A 65 2.965 -17.474 -3.288 1.00 0.00 N ATOM 1031 CA GLY A 65 4.303 -17.170 -3.794 1.00 0.00 C ATOM 1032 C GLY A 65 4.296 -16.108 -4.898 1.00 0.00 C ATOM 1033 O GLY A 65 5.339 -15.830 -5.491 1.00 0.00 O ATOM 0 H GLY A 65 2.758 -17.075 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.928 -16.826 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.757 -18.083 -4.178 1.00 0.00 H new ATOM 1037 N ASP A 66 3.138 -15.520 -5.185 1.00 0.00 N ATOM 1038 CA ASP A 66 3.066 -14.502 -6.237 1.00 0.00 C ATOM 1039 C ASP A 66 3.949 -13.302 -5.893 1.00 0.00 C ATOM 1040 O ASP A 66 4.773 -13.362 -4.979 1.00 0.00 O ATOM 1041 CB ASP A 66 1.613 -14.032 -6.437 1.00 0.00 C ATOM 1042 CG ASP A 66 1.293 -13.907 -7.927 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.224 -13.787 -8.707 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.121 -13.928 -8.264 1.00 0.00 O ATOM 0 H ASP A 66 2.254 -15.722 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 66 3.427 -14.952 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.928 -14.739 -5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.464 -13.071 -5.945 1.00 0.00 H new ATOM 1049 N GLN A 67 3.761 -12.209 -6.629 1.00 0.00 N ATOM 1050 CA GLN A 67 4.532 -10.992 -6.401 1.00 0.00 C ATOM 1051 C GLN A 67 3.632 -9.773 -6.565 1.00 0.00 C ATOM 1052 O GLN A 67 2.775 -9.743 -7.449 1.00 0.00 O ATOM 1053 CB GLN A 67 5.694 -10.912 -7.393 1.00 0.00 C ATOM 1054 CG GLN A 67 6.379 -12.277 -7.487 1.00 0.00 C ATOM 1055 CD GLN A 67 7.702 -12.145 -8.234 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.484 -11.236 -7.957 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.001 -13.003 -9.170 1.00 0.00 N ATOM 0 H GLN A 67 3.082 -12.142 -7.387 1.00 0.00 H new ATOM 0 HA GLN A 67 4.932 -11.012 -5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.329 -10.608 -8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.410 -10.155 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.554 -12.675 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.730 -12.985 -8.003 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.352 -13.756 -9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.884 -12.921 -9.674 1.00 0.00 H new ATOM 1066 N VAL A 68 3.816 -8.776 -5.704 1.00 0.00 N ATOM 1067 CA VAL A 68 2.995 -7.572 -5.763 1.00 0.00 C ATOM 1068 C VAL A 68 3.858 -6.318 -5.835 1.00 0.00 C ATOM 1069 O VAL A 68 4.480 -5.926 -4.849 1.00 0.00 O ATOM 1070 CB VAL A 68 2.096 -7.502 -4.520 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.718 -6.964 -4.912 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.940 -8.903 -3.921 1.00 0.00 C ATOM 0 H VAL A 68 4.519 -8.777 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 68 2.384 -7.620 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 68 2.551 -6.838 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.082 -6.915 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.825 -5.966 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.265 -7.627 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.302 -8.853 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.488 -9.566 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.919 -9.289 -3.639 1.00 0.00 H new ATOM 1082 N VAL A 69 3.872 -5.674 -6.995 1.00 0.00 N ATOM 1083 CA VAL A 69 4.639 -4.453 -7.154 1.00 0.00 C ATOM 1084 C VAL A 69 3.993 -3.364 -6.318 1.00 0.00 C ATOM 1085 O VAL A 69 2.773 -3.323 -6.187 1.00 0.00 O ATOM 1086 CB VAL A 69 4.668 -4.032 -8.624 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.451 -2.727 -8.765 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.346 -5.125 -9.452 1.00 0.00 C ATOM 0 H VAL A 69 3.366 -5.975 -7.828 1.00 0.00 H new ATOM 0 HA VAL A 69 5.665 -4.619 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 69 3.649 -3.884 -8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.472 -2.427 -9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.970 -1.948 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.471 -2.874 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.368 -4.827 -10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.365 -5.272 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.789 -6.056 -9.351 1.00 0.00 H new ATOM 1098 N PHE A 70 4.806 -2.498 -5.738 1.00 0.00 N ATOM 1099 CA PHE A 70 4.271 -1.430 -4.901 1.00 0.00 C ATOM 1100 C PHE A 70 5.237 -0.252 -4.809 1.00 0.00 C ATOM 1101 O PHE A 70 6.358 -0.306 -5.314 1.00 0.00 O ATOM 1102 CB PHE A 70 3.987 -1.970 -3.494 1.00 0.00 C ATOM 1103 CG PHE A 70 5.255 -1.947 -2.671 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.200 -2.972 -2.807 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.488 -0.895 -1.778 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.376 -2.943 -2.050 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.664 -0.868 -1.018 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.609 -1.892 -1.155 1.00 0.00 C ATOM 0 H PHE A 70 5.822 -2.509 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 70 3.347 -1.076 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.218 -1.367 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.601 -2.988 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.021 -3.784 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.760 -0.103 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.105 -3.733 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.842 -0.058 -0.327 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.517 -1.871 -0.571 1.00 0.00 H new ATOM 1118 N MET A 71 4.784 0.806 -4.146 1.00 0.00 N ATOM 1119 CA MET A 71 5.599 2.002 -3.966 1.00 0.00 C ATOM 1120 C MET A 71 5.069 2.818 -2.787 1.00 0.00 C ATOM 1121 O MET A 71 3.889 2.734 -2.447 1.00 0.00 O ATOM 1122 CB MET A 71 5.577 2.852 -5.246 1.00 0.00 C ATOM 1123 CG MET A 71 7.006 3.064 -5.755 1.00 0.00 C ATOM 1124 SD MET A 71 6.971 4.105 -7.236 1.00 0.00 S ATOM 1125 CE MET A 71 6.072 2.955 -8.305 1.00 0.00 C ATOM 0 H MET A 71 3.857 0.860 -3.724 1.00 0.00 H new ATOM 0 HA MET A 71 6.627 1.704 -3.759 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.979 2.358 -6.011 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.106 3.815 -5.046 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.613 3.534 -4.981 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.468 2.104 -5.983 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.499 2.981 -9.308 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.153 1.945 -7.903 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.022 3.245 -8.350 1.00 0.00 H new ATOM 1135 N VAL A 72 5.946 3.602 -2.168 1.00 0.00 N ATOM 1136 CA VAL A 72 5.551 4.426 -1.027 1.00 0.00 C ATOM 1137 C VAL A 72 5.513 5.900 -1.413 1.00 0.00 C ATOM 1138 O VAL A 72 6.487 6.442 -1.936 1.00 0.00 O ATOM 1139 CB VAL A 72 6.530 4.226 0.131 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.954 4.861 1.399 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.743 2.728 0.363 1.00 0.00 C ATOM 0 H VAL A 72 6.927 3.685 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 72 4.553 4.119 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 72 7.483 4.696 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.650 4.719 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.799 5.927 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.002 4.389 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.441 2.583 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.790 2.258 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.150 2.274 -0.540 1.00 0.00 H new ATOM 1151 N SER A 73 4.379 6.542 -1.149 1.00 0.00 N ATOM 1152 CA SER A 73 4.216 7.957 -1.469 1.00 0.00 C ATOM 1153 C SER A 73 4.449 8.815 -0.229 1.00 0.00 C ATOM 1154 O SER A 73 4.715 8.296 0.856 1.00 0.00 O ATOM 1155 CB SER A 73 2.808 8.211 -2.008 1.00 0.00 C ATOM 1156 OG SER A 73 2.614 7.447 -3.191 1.00 0.00 O ATOM 0 H SER A 73 3.563 6.108 -0.717 1.00 0.00 H new ATOM 0 HA SER A 73 4.950 8.226 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.065 7.938 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.673 9.272 -2.220 1.00 0.00 H new ATOM 0 HG SER A 73 2.262 8.025 -3.900 1.00 0.00 H new