USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 768 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 44 HIS : no HE2:sc= 0.438 K(o=0.31,f=-2.4!) USER MOD Set 1.2: A 93 MET CE :methyl -178:sc= -0.13 (180deg=-0.101) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.787 (180deg=-1.29!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 2.26 (180deg=1.82) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 69:sc= 0.321 USER MOD Single : A 23 SER OG : rot 121:sc= 1.21 USER MOD Single : A 28 GLN : amide:sc= 0.751 K(o=0.75,f=-0.025) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 32 SER OG : rot -97:sc= 0.635 USER MOD Single : A 34 CYS SG : rot -170:sc= -1.23 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.785 USER MOD Single : A 37 HIS : no HE2:sc= 0.507 K(o=0.51,f=-1.9!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.284 USER MOD Single : A 53 GLN : amide:sc= 1.4 K(o=1.4,f=-4.5!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00388 USER MOD Single : A 63 SER OG : rot -116:sc= 1.33 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 3.57 (180deg=2.61) USER MOD Single : A 69 MET CE :methyl -178:sc= 0 (180deg=-0.00725) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 1.77 (180deg=1.25) USER MOD Single : A 73 LYS NZ :NH3+ -137:sc= 2.15 (180deg=0.442) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.00169 X(o=0.0017,f=-0.051) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 0.588 (180deg=-0.062) USER MOD Single : A 88 SER OG : rot -176:sc= 0.106 USER MOD Single : A 89 HIS : no HE2:sc= 0.994 K(o=0.99,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= 1.32 (180deg=0.254) USER MOD Single : A 99 HIS : no HE2:sc= 1.21 K(o=1.2,f=-3.8!) USER MOD Single : A 100 SER OG : rot 155:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.204 8.010 5.069 1.00 0.00 N ATOM 2 CA MET A 1 -15.514 7.502 5.539 1.00 0.00 C ATOM 3 C MET A 1 -15.973 8.289 6.764 1.00 0.00 C ATOM 4 O MET A 1 -16.990 8.976 6.689 1.00 0.00 O ATOM 5 CB MET A 1 -15.489 5.980 5.781 1.00 0.00 C ATOM 6 CG MET A 1 -16.887 5.413 6.041 1.00 0.00 C ATOM 7 SD MET A 1 -16.900 3.622 6.324 1.00 0.00 S ATOM 8 CE MET A 1 -18.658 3.392 6.700 1.00 0.00 C ATOM 0 H1 MET A 1 -14.188 8.019 4.029 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.058 8.976 5.426 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.445 7.392 5.422 1.00 0.00 H new ATOM 0 HA MET A 1 -16.250 7.660 4.751 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.053 5.483 4.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.845 5.760 6.633 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.318 5.913 6.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.528 5.643 5.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.852 2.339 6.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.923 3.985 7.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.257 3.714 5.848 1.00 0.00 H new ATOM 18 N MET A 2 -15.217 8.243 7.867 1.00 0.00 N ATOM 19 CA MET A 2 -15.403 9.104 9.047 1.00 0.00 C ATOM 20 C MET A 2 -15.275 10.607 8.710 1.00 0.00 C ATOM 21 O MET A 2 -15.927 11.443 9.341 1.00 0.00 O ATOM 22 CB MET A 2 -14.409 8.693 10.151 1.00 0.00 C ATOM 23 CG MET A 2 -14.431 7.189 10.474 1.00 0.00 C ATOM 24 SD MET A 2 -16.057 6.492 10.892 1.00 0.00 S ATOM 25 CE MET A 2 -15.650 4.724 10.859 1.00 0.00 C ATOM 0 H MET A 2 -14.439 7.591 7.969 1.00 0.00 H new ATOM 0 HA MET A 2 -16.421 8.960 9.408 1.00 0.00 H new ATOM 0 HB2 MET A 2 -13.402 8.975 9.844 1.00 0.00 H new ATOM 0 HB3 MET A 2 -14.635 9.254 11.058 1.00 0.00 H new ATOM 0 HG2 MET A 2 -14.034 6.647 9.616 1.00 0.00 H new ATOM 0 HG3 MET A 2 -13.753 7.006 11.308 1.00 0.00 H new ATOM 0 HE1 MET A 2 -16.540 4.141 11.095 1.00 0.00 H new ATOM 0 HE2 MET A 2 -15.291 4.452 9.867 1.00 0.00 H new ATOM 0 HE3 MET A 2 -14.874 4.515 11.595 1.00 0.00 H new ATOM 35 N LEU A 3 -14.515 10.938 7.656 1.00 0.00 N ATOM 36 CA LEU A 3 -14.564 12.193 6.895 1.00 0.00 C ATOM 37 C LEU A 3 -14.614 11.929 5.372 1.00 0.00 C ATOM 38 O LEU A 3 -14.288 10.832 4.912 1.00 0.00 O ATOM 39 CB LEU A 3 -13.415 13.132 7.342 1.00 0.00 C ATOM 40 CG LEU A 3 -11.969 12.584 7.374 1.00 0.00 C ATOM 41 CD1 LEU A 3 -11.393 12.238 5.997 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.047 13.643 7.984 1.00 0.00 C ATOM 0 H LEU A 3 -13.809 10.299 7.291 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.493 12.718 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.424 14.000 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.653 13.490 8.343 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.018 11.665 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.377 11.861 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.012 11.475 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.380 13.132 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.025 13.264 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.083 14.549 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.376 13.871 8.998 1.00 0.00 H new ATOM 54 N GLY A 4 -15.049 12.933 4.600 1.00 0.00 N ATOM 55 CA GLY A 4 -15.128 12.988 3.124 1.00 0.00 C ATOM 56 C GLY A 4 -15.135 11.663 2.334 1.00 0.00 C ATOM 57 O GLY A 4 -14.148 11.396 1.643 1.00 0.00 O ATOM 0 H GLY A 4 -15.383 13.801 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.034 13.535 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.284 13.580 2.769 1.00 0.00 H new ATOM 61 N PRO A 5 -16.180 10.811 2.425 1.00 0.00 N ATOM 62 CA PRO A 5 -16.257 9.531 1.700 1.00 0.00 C ATOM 63 C PRO A 5 -16.314 9.687 0.166 1.00 0.00 C ATOM 64 O PRO A 5 -16.841 10.675 -0.351 1.00 0.00 O ATOM 65 CB PRO A 5 -17.516 8.837 2.236 1.00 0.00 C ATOM 66 CG PRO A 5 -18.392 9.988 2.731 1.00 0.00 C ATOM 67 CD PRO A 5 -17.377 11.017 3.227 1.00 0.00 C ATOM 0 HA PRO A 5 -15.352 8.949 1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.016 8.261 1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.277 8.143 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.015 10.391 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -19.063 9.668 3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.758 12.031 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.166 10.879 4.287 1.00 0.00 H new ATOM 75 N GLU A 6 -15.804 8.688 -0.568 1.00 0.00 N ATOM 76 CA GLU A 6 -15.597 8.748 -2.030 1.00 0.00 C ATOM 77 C GLU A 6 -16.061 7.500 -2.813 1.00 0.00 C ATOM 78 O GLU A 6 -16.545 7.653 -3.938 1.00 0.00 O ATOM 79 CB GLU A 6 -14.106 8.979 -2.325 1.00 0.00 C ATOM 80 CG GLU A 6 -13.594 10.353 -1.875 1.00 0.00 C ATOM 81 CD GLU A 6 -12.087 10.466 -2.132 1.00 0.00 C ATOM 82 OE1 GLU A 6 -11.668 10.655 -3.299 1.00 0.00 O ATOM 83 OE2 GLU A 6 -11.292 10.281 -1.178 1.00 0.00 O ATOM 0 H GLU A 6 -15.517 7.798 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.222 9.572 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.522 8.203 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.936 8.871 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.122 11.140 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.801 10.497 -0.815 1.00 0.00 H new ATOM 90 N GLY A 7 -15.951 6.284 -2.259 1.00 0.00 N ATOM 91 CA GLY A 7 -16.298 5.036 -2.964 1.00 0.00 C ATOM 92 C GLY A 7 -16.827 3.909 -2.067 1.00 0.00 C ATOM 93 O GLY A 7 -17.835 3.284 -2.405 1.00 0.00 O ATOM 0 H GLY A 7 -15.618 6.135 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.050 5.261 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.414 4.676 -3.490 1.00 0.00 H new ATOM 97 N GLY A 8 -16.202 3.675 -0.910 1.00 0.00 N ATOM 98 CA GLY A 8 -16.717 2.854 0.200 1.00 0.00 C ATOM 99 C GLY A 8 -16.871 1.331 -0.003 1.00 0.00 C ATOM 100 O GLY A 8 -16.945 0.610 0.993 1.00 0.00 O ATOM 0 H GLY A 8 -15.283 4.068 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.059 3.007 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.695 3.250 0.476 1.00 0.00 H new ATOM 104 N GLU A 9 -16.912 0.808 -1.237 1.00 0.00 N ATOM 105 CA GLU A 9 -17.078 -0.638 -1.525 1.00 0.00 C ATOM 106 C GLU A 9 -15.946 -1.516 -0.965 1.00 0.00 C ATOM 107 O GLU A 9 -16.110 -2.709 -0.695 1.00 0.00 O ATOM 108 CB GLU A 9 -17.261 -0.858 -3.041 1.00 0.00 C ATOM 109 CG GLU A 9 -15.966 -0.873 -3.884 1.00 0.00 C ATOM 110 CD GLU A 9 -15.172 -2.200 -3.802 1.00 0.00 C ATOM 111 OE1 GLU A 9 -15.801 -3.285 -3.816 1.00 0.00 O ATOM 112 OE2 GLU A 9 -13.920 -2.164 -3.726 1.00 0.00 O ATOM 0 H GLU A 9 -16.830 1.378 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.978 -0.960 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.779 -1.805 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.913 -0.074 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.221 -0.679 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.323 -0.057 -3.556 1.00 0.00 H new ATOM 119 N GLY A 10 -14.790 -0.893 -0.778 1.00 0.00 N ATOM 120 CA GLY A 10 -13.642 -1.396 -0.053 1.00 0.00 C ATOM 121 C GLY A 10 -12.706 -0.235 0.270 1.00 0.00 C ATOM 122 O GLY A 10 -12.944 0.912 -0.125 1.00 0.00 O ATOM 0 H GLY A 10 -14.624 0.040 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.963 -1.887 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.120 -2.145 -0.649 1.00 0.00 H new ATOM 126 N PHE A 11 -11.616 -0.543 0.959 1.00 0.00 N ATOM 127 CA PHE A 11 -10.578 0.404 1.363 1.00 0.00 C ATOM 128 C PHE A 11 -9.250 0.043 0.715 1.00 0.00 C ATOM 129 O PHE A 11 -8.183 0.220 1.294 1.00 0.00 O ATOM 130 CB PHE A 11 -10.507 0.469 2.894 1.00 0.00 C ATOM 131 CG PHE A 11 -11.851 0.727 3.541 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.677 1.733 3.013 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.293 -0.034 4.638 1.00 0.00 C ATOM 134 CE1 PHE A 11 -13.922 2.009 3.594 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.550 0.229 5.213 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.362 1.256 4.698 1.00 0.00 C ATOM 0 H PHE A 11 -11.420 -1.496 1.265 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.827 1.405 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.102 -0.469 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.813 1.257 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.350 2.298 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.669 -0.819 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.542 2.798 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.892 -0.359 6.052 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.321 1.466 5.149 1.00 0.00 H new ATOM 146 N VAL A 12 -9.308 -0.527 -0.485 1.00 0.00 N ATOM 147 CA VAL A 12 -8.091 -0.979 -1.150 1.00 0.00 C ATOM 148 C VAL A 12 -7.239 0.214 -1.530 1.00 0.00 C ATOM 149 O VAL A 12 -7.704 1.167 -2.161 1.00 0.00 O ATOM 150 CB VAL A 12 -8.312 -1.883 -2.367 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.965 -2.502 -2.791 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.245 -3.029 -2.002 1.00 0.00 C ATOM 0 H VAL A 12 -10.169 -0.685 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.577 -1.606 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.741 -1.285 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.117 -3.146 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.264 -1.708 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.560 -3.090 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.396 -3.666 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.803 -3.615 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.204 -2.627 -1.675 1.00 0.00 H new ATOM 162 N VAL A 13 -5.953 0.085 -1.239 1.00 0.00 N ATOM 163 CA VAL A 13 -4.919 0.787 -1.971 1.00 0.00 C ATOM 164 C VAL A 13 -4.031 -0.180 -2.725 1.00 0.00 C ATOM 165 O VAL A 13 -3.526 -1.161 -2.185 1.00 0.00 O ATOM 166 CB VAL A 13 -4.079 1.689 -1.069 1.00 0.00 C ATOM 167 CG1 VAL A 13 -4.928 2.864 -0.587 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.412 1.001 0.128 1.00 0.00 C ATOM 0 H VAL A 13 -5.601 -0.510 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.428 1.428 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.250 2.023 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.328 3.507 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.279 3.436 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.785 2.488 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.842 1.735 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.177 0.560 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.742 0.219 -0.229 1.00 0.00 H new ATOM 178 N LYS A 14 -3.859 0.107 -4.004 1.00 0.00 N ATOM 179 CA LYS A 14 -2.871 -0.517 -4.879 1.00 0.00 C ATOM 180 C LYS A 14 -1.539 0.159 -4.576 1.00 0.00 C ATOM 181 O LYS A 14 -1.487 1.356 -4.302 1.00 0.00 O ATOM 182 CB LYS A 14 -3.353 -0.240 -6.299 1.00 0.00 C ATOM 183 CG LYS A 14 -2.388 -0.356 -7.493 1.00 0.00 C ATOM 184 CD LYS A 14 -3.168 0.016 -8.768 1.00 0.00 C ATOM 185 CE LYS A 14 -2.356 -0.044 -10.064 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.417 -1.375 -10.718 1.00 0.00 N ATOM 0 H LYS A 14 -4.424 0.808 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.750 -1.592 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.186 -0.916 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.756 0.773 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.534 0.309 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.994 -1.370 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.023 -0.654 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.565 1.025 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.726 0.713 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.316 0.203 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.043 -1.304 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.847 -2.055 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.404 -1.700 -10.752 1.00 0.00 H new ATOM 200 N LEU A 15 -0.467 -0.597 -4.629 1.00 0.00 N ATOM 201 CA LEU A 15 0.859 -0.248 -4.158 1.00 0.00 C ATOM 202 C LEU A 15 1.817 -0.633 -5.266 1.00 0.00 C ATOM 203 O LEU A 15 1.919 -1.809 -5.585 1.00 0.00 O ATOM 204 CB LEU A 15 1.071 -0.994 -2.819 1.00 0.00 C ATOM 205 CG LEU A 15 0.713 -0.066 -1.667 1.00 0.00 C ATOM 206 CD1 LEU A 15 0.153 -0.785 -0.448 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.897 0.778 -1.282 1.00 0.00 C ATOM 0 H LEU A 15 -0.497 -1.535 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 15 1.016 0.811 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.451 -1.890 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.107 -1.320 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.090 0.573 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.078 -0.057 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.755 -1.319 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.891 -1.495 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.622 1.435 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.719 0.132 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.209 1.379 -2.136 1.00 0.00 H new ATOM 219 N ARG A 16 2.466 0.350 -5.889 1.00 0.00 N ATOM 220 CA ARG A 16 3.235 0.187 -7.129 1.00 0.00 C ATOM 221 C ARG A 16 4.601 0.843 -6.999 1.00 0.00 C ATOM 222 O ARG A 16 4.723 1.933 -6.456 1.00 0.00 O ATOM 223 CB ARG A 16 2.407 0.756 -8.298 1.00 0.00 C ATOM 224 CG ARG A 16 3.152 0.749 -9.648 1.00 0.00 C ATOM 225 CD ARG A 16 3.727 2.131 -9.969 1.00 0.00 C ATOM 226 NE ARG A 16 4.531 2.131 -11.205 1.00 0.00 N ATOM 227 CZ ARG A 16 4.876 3.193 -11.915 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.464 4.398 -11.633 1.00 0.00 N ATOM 229 NH2 ARG A 16 5.660 3.063 -12.947 1.00 0.00 N ATOM 0 H ARG A 16 2.474 1.308 -5.539 1.00 0.00 H new ATOM 0 HA ARG A 16 3.423 -0.868 -7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.489 0.177 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.114 1.779 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.957 0.015 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.470 0.442 -10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.911 2.847 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.345 2.467 -9.136 1.00 0.00 H new ATOM 0 HE ARG A 16 4.852 1.225 -11.546 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.848 4.553 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.758 5.186 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.009 2.141 -13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.925 3.883 -13.493 1.00 0.00 H new ATOM 243 N GLY A 17 5.629 0.171 -7.498 1.00 0.00 N ATOM 244 CA GLY A 17 7.021 0.622 -7.423 1.00 0.00 C ATOM 245 C GLY A 17 7.906 -0.285 -6.559 1.00 0.00 C ATOM 246 O GLY A 17 9.109 -0.409 -6.797 1.00 0.00 O ATOM 0 H GLY A 17 5.521 -0.723 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.435 0.670 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.047 1.634 -7.020 1.00 0.00 H new ATOM 250 N LEU A 18 7.257 -0.894 -5.562 1.00 0.00 N ATOM 251 CA LEU A 18 7.759 -1.708 -4.456 1.00 0.00 C ATOM 252 C LEU A 18 8.915 -2.675 -4.794 1.00 0.00 C ATOM 253 O LEU A 18 9.023 -3.157 -5.925 1.00 0.00 O ATOM 254 CB LEU A 18 6.604 -2.531 -3.841 1.00 0.00 C ATOM 255 CG LEU A 18 5.143 -2.078 -4.051 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.270 -3.198 -3.520 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.770 -0.779 -3.329 1.00 0.00 C ATOM 0 H LEU A 18 6.241 -0.816 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 18 8.173 -0.980 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.688 -3.547 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.777 -2.582 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 18 5.002 -1.874 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.220 -2.931 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.478 -4.115 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.483 -3.355 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.727 -0.537 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.911 -0.906 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.407 0.031 -3.685 1.00 0.00 H new ATOM 269 N PRO A 19 9.728 -3.064 -3.795 1.00 0.00 N ATOM 270 CA PRO A 19 10.687 -4.158 -3.938 1.00 0.00 C ATOM 271 C PRO A 19 10.009 -5.486 -4.315 1.00 0.00 C ATOM 272 O PRO A 19 8.967 -5.853 -3.772 1.00 0.00 O ATOM 273 CB PRO A 19 11.416 -4.248 -2.589 1.00 0.00 C ATOM 274 CG PRO A 19 11.195 -2.860 -1.986 1.00 0.00 C ATOM 275 CD PRO A 19 9.784 -2.527 -2.444 1.00 0.00 C ATOM 0 HA PRO A 19 11.382 -3.964 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.001 -5.033 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.476 -4.469 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.277 -2.871 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.923 -2.137 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.034 -2.985 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.601 -1.452 -2.432 1.00 0.00 H new ATOM 283 N TRP A 20 10.659 -6.257 -5.186 1.00 0.00 N ATOM 284 CA TRP A 20 10.296 -7.632 -5.576 1.00 0.00 C ATOM 285 C TRP A 20 10.384 -8.668 -4.430 1.00 0.00 C ATOM 286 O TRP A 20 10.119 -9.849 -4.641 1.00 0.00 O ATOM 287 CB TRP A 20 11.190 -8.027 -6.758 1.00 0.00 C ATOM 288 CG TRP A 20 12.650 -7.875 -6.467 1.00 0.00 C ATOM 289 CD1 TRP A 20 13.414 -8.787 -5.830 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.502 -6.702 -6.665 1.00 0.00 C ATOM 291 NE1 TRP A 20 14.676 -8.267 -5.617 1.00 0.00 N ATOM 292 CE2 TRP A 20 14.778 -6.973 -6.085 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.309 -5.423 -7.234 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.806 -6.018 -6.058 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.338 -4.462 -7.220 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.581 -4.753 -6.629 1.00 0.00 C ATOM 0 H TRP A 20 11.497 -5.929 -5.667 1.00 0.00 H new ATOM 0 HA TRP A 20 9.242 -7.638 -5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 20 10.986 -9.063 -7.030 1.00 0.00 H new ATOM 0 HB3 TRP A 20 10.932 -7.414 -7.622 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.089 -9.773 -5.532 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.438 -8.776 -5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.359 -5.179 -7.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.758 -6.252 -5.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.172 -3.493 -7.667 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.361 -4.006 -6.614 1.00 0.00 H new ATOM 307 N SER A 21 10.730 -8.239 -3.214 1.00 0.00 N ATOM 308 CA SER A 21 10.794 -9.044 -1.984 1.00 0.00 C ATOM 309 C SER A 21 9.945 -8.453 -0.841 1.00 0.00 C ATOM 310 O SER A 21 10.002 -8.933 0.295 1.00 0.00 O ATOM 311 CB SER A 21 12.262 -9.186 -1.561 1.00 0.00 C ATOM 312 OG SER A 21 12.831 -7.905 -1.319 1.00 0.00 O ATOM 0 H SER A 21 10.988 -7.266 -3.048 1.00 0.00 H new ATOM 0 HA SER A 21 10.369 -10.025 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.331 -9.798 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.824 -9.700 -2.341 1.00 0.00 H new ATOM 0 HG SER A 21 13.767 -8.009 -1.048 1.00 0.00 H new ATOM 318 N CYS A 22 9.151 -7.413 -1.130 1.00 0.00 N ATOM 319 CA CYS A 22 8.266 -6.730 -0.184 1.00 0.00 C ATOM 320 C CYS A 22 7.223 -7.684 0.447 1.00 0.00 C ATOM 321 O CYS A 22 6.819 -8.687 -0.156 1.00 0.00 O ATOM 322 CB CYS A 22 7.616 -5.565 -0.948 1.00 0.00 C ATOM 323 SG CYS A 22 6.670 -4.450 0.132 1.00 0.00 S ATOM 0 H CYS A 22 9.108 -7.011 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 22 8.835 -6.354 0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.392 -4.995 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.955 -5.965 -1.717 1.00 0.00 H new ATOM 0 HG CYS A 22 7.487 -3.801 0.908 1.00 0.00 H new ATOM 329 N SER A 23 6.777 -7.356 1.661 1.00 0.00 N ATOM 330 CA SER A 23 5.760 -8.082 2.433 1.00 0.00 C ATOM 331 C SER A 23 4.960 -7.141 3.316 1.00 0.00 C ATOM 332 O SER A 23 5.333 -5.998 3.567 1.00 0.00 O ATOM 333 CB SER A 23 6.392 -9.171 3.314 1.00 0.00 C ATOM 334 OG SER A 23 7.298 -8.630 4.262 1.00 0.00 O ATOM 0 H SER A 23 7.130 -6.539 2.158 1.00 0.00 H new ATOM 0 HA SER A 23 5.095 -8.550 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.606 -9.717 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.915 -9.890 2.683 1.00 0.00 H new ATOM 0 HG SER A 23 7.003 -8.863 5.167 1.00 0.00 H new ATOM 340 N VAL A 24 3.826 -7.618 3.812 1.00 0.00 N ATOM 341 CA VAL A 24 2.962 -6.875 4.712 1.00 0.00 C ATOM 342 C VAL A 24 3.592 -6.309 5.987 1.00 0.00 C ATOM 343 O VAL A 24 3.061 -5.347 6.533 1.00 0.00 O ATOM 344 CB VAL A 24 1.651 -7.626 4.914 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.485 -9.059 4.404 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.016 -7.474 6.270 1.00 0.00 C ATOM 0 H VAL A 24 3.476 -8.551 3.594 1.00 0.00 H new ATOM 0 HA VAL A 24 2.745 -5.937 4.201 1.00 0.00 H new ATOM 0 HB VAL A 24 1.094 -7.046 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.484 -9.417 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.628 -9.080 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.225 -9.703 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.090 -8.048 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.700 -7.841 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.797 -6.422 6.453 1.00 0.00 H new ATOM 356 N GLU A 25 4.747 -6.767 6.453 1.00 0.00 N ATOM 357 CA GLU A 25 5.433 -6.058 7.542 1.00 0.00 C ATOM 358 C GLU A 25 5.957 -4.697 7.058 1.00 0.00 C ATOM 359 O GLU A 25 5.953 -3.713 7.792 1.00 0.00 O ATOM 360 CB GLU A 25 6.584 -6.919 8.059 1.00 0.00 C ATOM 361 CG GLU A 25 6.103 -8.205 8.747 1.00 0.00 C ATOM 362 CD GLU A 25 5.690 -9.339 7.779 1.00 0.00 C ATOM 363 OE1 GLU A 25 6.239 -9.433 6.653 1.00 0.00 O ATOM 364 OE2 GLU A 25 4.816 -10.159 8.156 1.00 0.00 O ATOM 0 H GLU A 25 5.223 -7.602 6.110 1.00 0.00 H new ATOM 0 HA GLU A 25 4.725 -5.877 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.238 -7.180 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.180 -6.337 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.897 -8.572 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.254 -7.963 9.386 1.00 0.00 H new ATOM 371 N ASP A 26 6.320 -4.625 5.782 1.00 0.00 N ATOM 372 CA ASP A 26 6.736 -3.430 5.063 1.00 0.00 C ATOM 373 C ASP A 26 5.567 -2.594 4.527 1.00 0.00 C ATOM 374 O ASP A 26 5.769 -1.414 4.265 1.00 0.00 O ATOM 375 CB ASP A 26 7.610 -3.879 3.891 1.00 0.00 C ATOM 376 CG ASP A 26 8.550 -2.775 3.375 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.237 -2.126 4.201 1.00 0.00 O ATOM 378 OD2 ASP A 26 8.649 -2.603 2.136 1.00 0.00 O ATOM 0 H ASP A 26 6.332 -5.453 5.186 1.00 0.00 H new ATOM 0 HA ASP A 26 7.272 -2.789 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.205 -4.739 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.969 -4.211 3.075 1.00 0.00 H new ATOM 383 N VAL A 27 4.345 -3.141 4.404 1.00 0.00 N ATOM 384 CA VAL A 27 3.158 -2.358 4.002 1.00 0.00 C ATOM 385 C VAL A 27 2.776 -1.454 5.164 1.00 0.00 C ATOM 386 O VAL A 27 2.574 -0.250 5.043 1.00 0.00 O ATOM 387 CB VAL A 27 1.953 -3.237 3.562 1.00 0.00 C ATOM 388 CG1 VAL A 27 2.305 -4.267 2.493 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.930 -3.775 4.571 1.00 0.00 C ATOM 0 H VAL A 27 4.151 -4.127 4.578 1.00 0.00 H new ATOM 0 HA VAL A 27 3.419 -1.772 3.121 1.00 0.00 H new ATOM 0 HB VAL A 27 1.357 -2.427 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.416 -4.843 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.676 -3.757 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.075 -4.938 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.176 -4.362 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.437 -4.405 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.449 -2.941 5.082 1.00 0.00 H new ATOM 399 N GLN A 28 2.795 -2.087 6.326 1.00 0.00 N ATOM 400 CA GLN A 28 2.560 -1.572 7.653 1.00 0.00 C ATOM 401 C GLN A 28 3.674 -0.644 8.173 1.00 0.00 C ATOM 402 O GLN A 28 3.374 0.328 8.861 1.00 0.00 O ATOM 403 CB GLN A 28 2.465 -2.843 8.494 1.00 0.00 C ATOM 404 CG GLN A 28 1.068 -3.466 8.539 1.00 0.00 C ATOM 405 CD GLN A 28 1.079 -4.655 9.489 1.00 0.00 C ATOM 406 OE1 GLN A 28 0.569 -4.624 10.603 1.00 0.00 O ATOM 407 NE2 GLN A 28 1.726 -5.724 9.091 1.00 0.00 N ATOM 0 H GLN A 28 2.999 -3.086 6.358 1.00 0.00 H new ATOM 0 HA GLN A 28 1.673 -0.940 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.166 -3.579 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.781 -2.616 9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.338 -2.727 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.767 -3.786 7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.150 -5.748 8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.805 -6.532 9.709 1.00 0.00 H new ATOM 416 N ASN A 29 4.947 -0.898 7.842 1.00 0.00 N ATOM 417 CA ASN A 29 6.074 -0.018 8.194 1.00 0.00 C ATOM 418 C ASN A 29 6.231 1.161 7.215 1.00 0.00 C ATOM 419 O ASN A 29 6.568 2.268 7.639 1.00 0.00 O ATOM 420 CB ASN A 29 7.345 -0.881 8.261 1.00 0.00 C ATOM 421 CG ASN A 29 8.568 -0.167 8.817 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.491 0.749 9.624 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.750 -0.586 8.422 1.00 0.00 N ATOM 0 H ASN A 29 5.228 -1.727 7.318 1.00 0.00 H new ATOM 0 HA ASN A 29 5.884 0.441 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.141 -1.757 8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.576 -1.242 7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.595 -0.148 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.822 -1.349 7.749 1.00 0.00 H new ATOM 430 N PHE A 30 5.907 0.979 5.926 1.00 0.00 N ATOM 431 CA PHE A 30 5.681 2.087 4.997 1.00 0.00 C ATOM 432 C PHE A 30 4.559 3.003 5.486 1.00 0.00 C ATOM 433 O PHE A 30 4.660 4.231 5.408 1.00 0.00 O ATOM 434 CB PHE A 30 5.407 1.536 3.593 1.00 0.00 C ATOM 435 CG PHE A 30 4.909 2.570 2.627 1.00 0.00 C ATOM 436 CD1 PHE A 30 5.662 3.728 2.411 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.669 2.405 1.992 1.00 0.00 C ATOM 438 CE1 PHE A 30 5.192 4.704 1.530 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.188 3.404 1.129 1.00 0.00 C ATOM 440 CZ PHE A 30 3.969 4.541 0.858 1.00 0.00 C ATOM 0 H PHE A 30 5.795 0.058 5.502 1.00 0.00 H new ATOM 0 HA PHE A 30 6.581 2.701 4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.323 1.095 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.672 0.734 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.603 3.867 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.086 1.513 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.777 5.597 1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.215 3.298 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.634 5.278 0.144 1.00 0.00 H new ATOM 450 N LEU A 31 3.522 2.408 6.078 1.00 0.00 N ATOM 451 CA LEU A 31 2.357 3.121 6.605 1.00 0.00 C ATOM 452 C LEU A 31 2.258 3.064 8.124 1.00 0.00 C ATOM 453 O LEU A 31 1.205 2.861 8.730 1.00 0.00 O ATOM 454 CB LEU A 31 1.124 2.736 5.835 1.00 0.00 C ATOM 455 CG LEU A 31 1.269 3.406 4.459 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.673 2.447 3.496 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.595 4.768 4.387 1.00 0.00 C ATOM 0 H LEU A 31 3.467 1.398 6.207 1.00 0.00 H new ATOM 0 HA LEU A 31 2.479 4.190 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.045 1.653 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.222 3.077 6.344 1.00 0.00 H new ATOM 0 HG LEU A 31 2.316 3.614 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.739 2.856 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.215 1.502 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.373 2.278 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.732 5.190 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.470 4.658 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.039 5.433 5.127 1.00 0.00 H new ATOM 469 N SER A 32 3.412 3.378 8.698 1.00 0.00 N ATOM 470 CA SER A 32 3.676 3.910 10.044 1.00 0.00 C ATOM 471 C SER A 32 3.022 5.300 10.256 1.00 0.00 C ATOM 472 O SER A 32 3.621 6.284 10.692 1.00 0.00 O ATOM 473 CB SER A 32 5.195 3.891 10.272 1.00 0.00 C ATOM 474 OG SER A 32 5.902 4.589 9.253 1.00 0.00 O ATOM 0 H SER A 32 4.284 3.256 8.183 1.00 0.00 H new ATOM 0 HA SER A 32 3.209 3.281 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.421 4.339 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.542 2.858 10.310 1.00 0.00 H new ATOM 0 HG SER A 32 6.224 3.951 8.582 1.00 0.00 H new ATOM 480 N ASP A 33 1.760 5.357 9.842 1.00 0.00 N ATOM 481 CA ASP A 33 0.922 6.508 9.482 1.00 0.00 C ATOM 482 C ASP A 33 -0.588 6.188 9.570 1.00 0.00 C ATOM 483 O ASP A 33 -1.415 7.102 9.582 1.00 0.00 O ATOM 484 CB ASP A 33 1.203 6.860 8.001 1.00 0.00 C ATOM 485 CG ASP A 33 1.890 8.218 7.829 1.00 0.00 C ATOM 486 OD1 ASP A 33 1.291 9.241 8.246 1.00 0.00 O ATOM 487 OD2 ASP A 33 2.987 8.261 7.223 1.00 0.00 O ATOM 0 H ASP A 33 1.230 4.492 9.736 1.00 0.00 H new ATOM 0 HA ASP A 33 1.160 7.316 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.829 6.084 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.263 6.862 7.449 1.00 0.00 H new ATOM 492 N CYS A 34 -0.952 4.899 9.534 1.00 0.00 N ATOM 493 CA CYS A 34 -2.212 4.430 8.967 1.00 0.00 C ATOM 494 C CYS A 34 -2.743 3.164 9.665 1.00 0.00 C ATOM 495 O CYS A 34 -2.040 2.530 10.459 1.00 0.00 O ATOM 496 CB CYS A 34 -1.893 4.133 7.493 1.00 0.00 C ATOM 497 SG CYS A 34 -3.366 4.230 6.474 1.00 0.00 S ATOM 0 H CYS A 34 -0.369 4.148 9.904 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.995 5.178 9.093 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.150 4.843 7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.454 3.139 7.407 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.103 3.773 5.286 1.00 0.00 H new ATOM 503 N THR A 35 -3.966 2.760 9.315 1.00 0.00 N ATOM 504 CA THR A 35 -4.637 1.549 9.808 1.00 0.00 C ATOM 505 C THR A 35 -5.044 0.678 8.625 1.00 0.00 C ATOM 506 O THR A 35 -5.841 1.090 7.785 1.00 0.00 O ATOM 507 CB THR A 35 -5.915 1.865 10.621 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.844 3.114 11.280 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.273 0.814 11.668 1.00 0.00 C ATOM 0 H THR A 35 -4.540 3.285 8.656 1.00 0.00 H new ATOM 0 HA THR A 35 -3.928 1.040 10.461 1.00 0.00 H new ATOM 0 HB THR A 35 -6.695 1.877 9.859 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.940 3.836 10.624 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.181 1.115 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.438 -0.146 11.178 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.456 0.721 12.384 1.00 0.00 H new ATOM 517 N ILE A 36 -4.556 -0.557 8.575 1.00 0.00 N ATOM 518 CA ILE A 36 -5.238 -1.647 7.854 1.00 0.00 C ATOM 519 C ILE A 36 -6.268 -2.212 8.857 1.00 0.00 C ATOM 520 O ILE A 36 -6.031 -2.145 10.062 1.00 0.00 O ATOM 521 CB ILE A 36 -4.212 -2.738 7.409 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.427 -2.346 6.138 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.865 -4.101 7.077 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.400 -1.213 6.261 1.00 0.00 C ATOM 0 H ILE A 36 -3.685 -0.838 9.026 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.722 -1.300 6.941 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.556 -2.820 8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.907 -3.233 5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.148 -2.064 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.094 -4.810 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.383 -4.481 7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.579 -3.974 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.926 -1.045 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.902 -0.300 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.642 -1.487 6.994 1.00 0.00 H new ATOM 536 N HIS A 37 -7.383 -2.803 8.414 1.00 0.00 N ATOM 537 CA HIS A 37 -8.505 -3.263 9.280 1.00 0.00 C ATOM 538 C HIS A 37 -8.188 -4.413 10.285 1.00 0.00 C ATOM 539 O HIS A 37 -9.082 -5.045 10.850 1.00 0.00 O ATOM 540 CB HIS A 37 -9.693 -3.636 8.375 1.00 0.00 C ATOM 541 CG HIS A 37 -11.059 -3.485 9.004 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.810 -2.329 9.062 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.819 -4.480 9.562 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.984 -2.620 9.638 1.00 0.00 C ATOM 545 NE2 HIS A 37 -13.041 -3.922 9.968 1.00 0.00 N ATOM 0 H HIS A 37 -7.547 -2.985 7.424 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.736 -2.424 9.936 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.654 -3.017 7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.572 -4.670 8.053 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -11.521 -1.411 8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.528 -5.514 9.670 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.776 -1.907 9.813 1.00 0.00 H new ATOM 553 N ASP A 38 -6.907 -4.706 10.491 1.00 0.00 N ATOM 554 CA ASP A 38 -6.321 -5.744 11.353 1.00 0.00 C ATOM 555 C ASP A 38 -4.803 -5.509 11.481 1.00 0.00 C ATOM 556 O ASP A 38 -4.244 -5.487 12.579 1.00 0.00 O ATOM 557 CB ASP A 38 -6.562 -7.113 10.694 1.00 0.00 C ATOM 558 CG ASP A 38 -5.626 -8.208 11.228 1.00 0.00 C ATOM 559 OD1 ASP A 38 -5.913 -8.796 12.298 1.00 0.00 O ATOM 560 OD2 ASP A 38 -4.597 -8.459 10.554 1.00 0.00 O ATOM 0 H ASP A 38 -6.178 -4.175 10.015 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.778 -5.710 12.342 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.596 -7.414 10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.427 -7.020 9.616 1.00 0.00 H new ATOM 565 N GLY A 39 -4.160 -5.328 10.323 1.00 0.00 N ATOM 566 CA GLY A 39 -2.717 -5.185 10.135 1.00 0.00 C ATOM 567 C GLY A 39 -2.234 -5.934 8.895 1.00 0.00 C ATOM 568 O GLY A 39 -1.526 -5.373 8.060 1.00 0.00 O ATOM 0 H GLY A 39 -4.666 -5.274 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.464 -4.129 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.196 -5.563 11.015 1.00 0.00 H new ATOM 572 N ALA A 40 -2.718 -7.166 8.723 1.00 0.00 N ATOM 573 CA ALA A 40 -2.379 -8.045 7.604 1.00 0.00 C ATOM 574 C ALA A 40 -3.604 -8.692 6.937 1.00 0.00 C ATOM 575 O ALA A 40 -3.490 -9.223 5.832 1.00 0.00 O ATOM 576 CB ALA A 40 -1.428 -9.126 8.139 1.00 0.00 C ATOM 0 H ALA A 40 -3.375 -7.591 9.377 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.910 -7.444 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.153 -9.802 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.530 -8.655 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.925 -9.689 8.929 1.00 0.00 H new ATOM 582 N ALA A 41 -4.789 -8.605 7.549 1.00 0.00 N ATOM 583 CA ALA A 41 -6.001 -9.238 7.008 1.00 0.00 C ATOM 584 C ALA A 41 -6.591 -8.559 5.749 1.00 0.00 C ATOM 585 O ALA A 41 -7.648 -8.978 5.270 1.00 0.00 O ATOM 586 CB ALA A 41 -7.053 -9.372 8.111 1.00 0.00 C ATOM 0 H ALA A 41 -4.937 -8.101 8.423 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.692 -10.224 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.949 -9.842 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.656 -9.986 8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.304 -8.384 8.496 1.00 0.00 H new ATOM 592 N GLY A 42 -5.931 -7.527 5.205 1.00 0.00 N ATOM 593 CA GLY A 42 -6.369 -6.811 4.009 1.00 0.00 C ATOM 594 C GLY A 42 -5.354 -6.817 2.867 1.00 0.00 C ATOM 595 O GLY A 42 -5.681 -6.407 1.755 1.00 0.00 O ATOM 0 H GLY A 42 -5.062 -7.163 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.300 -7.254 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.590 -5.778 4.278 1.00 0.00 H new ATOM 599 N VAL A 43 -4.121 -7.256 3.125 1.00 0.00 N ATOM 600 CA VAL A 43 -2.997 -7.177 2.184 1.00 0.00 C ATOM 601 C VAL A 43 -2.929 -8.417 1.299 1.00 0.00 C ATOM 602 O VAL A 43 -3.136 -9.555 1.730 1.00 0.00 O ATOM 603 CB VAL A 43 -1.628 -6.908 2.881 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.617 -7.014 4.385 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.426 -7.446 2.102 1.00 0.00 C ATOM 0 H VAL A 43 -3.868 -7.687 4.014 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.192 -6.311 1.551 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.474 -5.832 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.614 -6.807 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.316 -6.292 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.913 -8.020 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.491 -7.222 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.523 -8.525 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.388 -6.975 1.120 1.00 0.00 H new ATOM 615 N HIS A 44 -2.528 -8.153 0.061 1.00 0.00 N ATOM 616 CA HIS A 44 -2.124 -9.097 -0.954 1.00 0.00 C ATOM 617 C HIS A 44 -0.924 -8.542 -1.718 1.00 0.00 C ATOM 618 O HIS A 44 -0.735 -7.327 -1.819 1.00 0.00 O ATOM 619 CB HIS A 44 -3.281 -9.298 -1.952 1.00 0.00 C ATOM 620 CG HIS A 44 -4.677 -9.101 -1.422 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.230 -7.874 -1.153 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.629 -10.047 -1.151 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.467 -8.066 -0.691 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.771 -9.379 -0.677 1.00 0.00 N ATOM 0 H HIS A 44 -2.476 -7.193 -0.278 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.863 -10.043 -0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.134 -8.611 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.210 -10.308 -2.355 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.774 -6.971 -1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.522 -11.114 -1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.133 -7.278 -0.372 1.00 0.00 H new ATOM 632 N PHE A 45 -0.164 -9.440 -2.329 1.00 0.00 N ATOM 633 CA PHE A 45 0.945 -9.102 -3.210 1.00 0.00 C ATOM 634 C PHE A 45 0.681 -9.635 -4.611 1.00 0.00 C ATOM 635 O PHE A 45 -0.097 -10.571 -4.806 1.00 0.00 O ATOM 636 CB PHE A 45 2.251 -9.628 -2.604 1.00 0.00 C ATOM 637 CG PHE A 45 2.787 -8.659 -1.578 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.293 -8.665 -0.259 1.00 0.00 C ATOM 639 CD2 PHE A 45 3.679 -7.650 -1.988 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.672 -7.654 0.625 1.00 0.00 C ATOM 641 CE2 PHE A 45 4.057 -6.639 -1.092 1.00 0.00 C ATOM 642 CZ PHE A 45 3.554 -6.640 0.217 1.00 0.00 C ATOM 0 H PHE A 45 -0.304 -10.445 -2.224 1.00 0.00 H new ATOM 0 HA PHE A 45 1.042 -8.020 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.078 -10.599 -2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.989 -9.778 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.624 -9.448 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.073 -7.654 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.283 -7.651 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.735 -5.861 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.844 -5.863 0.909 1.00 0.00 H new ATOM 652 N ILE A 46 1.321 -9.008 -5.595 1.00 0.00 N ATOM 653 CA ILE A 46 1.291 -9.476 -6.976 1.00 0.00 C ATOM 654 C ILE A 46 2.516 -10.316 -7.216 1.00 0.00 C ATOM 655 O ILE A 46 3.585 -10.151 -6.629 1.00 0.00 O ATOM 656 CB ILE A 46 1.176 -8.305 -7.973 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.112 -7.512 -7.663 1.00 0.00 C ATOM 658 CG2 ILE A 46 1.233 -8.746 -9.453 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.388 -8.182 -8.129 1.00 0.00 C ATOM 0 H ILE A 46 1.874 -8.162 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 46 0.403 -10.086 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 46 2.048 -7.664 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.174 -7.349 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.040 -6.530 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.146 -7.871 -10.097 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.181 -9.247 -9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.411 -9.432 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.243 -7.557 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.353 -8.320 -9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.488 -9.152 -7.642 1.00 0.00 H new ATOM 671 N TYR A 47 2.264 -11.262 -8.089 1.00 0.00 N ATOM 672 CA TYR A 47 2.921 -12.526 -8.221 1.00 0.00 C ATOM 673 C TYR A 47 3.099 -12.751 -9.725 1.00 0.00 C ATOM 674 O TYR A 47 2.369 -12.175 -10.539 1.00 0.00 O ATOM 675 CB TYR A 47 1.982 -13.538 -7.550 1.00 0.00 C ATOM 676 CG TYR A 47 1.747 -13.425 -6.048 1.00 0.00 C ATOM 677 CD1 TYR A 47 2.780 -13.056 -5.162 1.00 0.00 C ATOM 678 CD2 TYR A 47 0.475 -13.750 -5.534 1.00 0.00 C ATOM 679 CE1 TYR A 47 2.533 -12.986 -3.776 1.00 0.00 C ATOM 680 CE2 TYR A 47 0.226 -13.691 -4.148 1.00 0.00 C ATOM 681 CZ TYR A 47 1.254 -13.297 -3.265 1.00 0.00 C ATOM 682 OH TYR A 47 1.021 -13.220 -1.926 1.00 0.00 O ATOM 0 H TYR A 47 1.526 -11.149 -8.784 1.00 0.00 H new ATOM 0 HA TYR A 47 3.903 -12.605 -7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.013 -13.469 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.372 -14.536 -7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.763 -12.826 -5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.315 -14.047 -6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.325 -12.693 -3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.750 -13.947 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 47 0.090 -13.465 -1.741 1.00 0.00 H new ATOM 692 N THR A 48 4.123 -13.495 -10.123 1.00 0.00 N ATOM 693 CA THR A 48 4.730 -13.238 -11.434 1.00 0.00 C ATOM 694 C THR A 48 4.037 -13.767 -12.713 1.00 0.00 C ATOM 695 O THR A 48 4.292 -13.181 -13.766 1.00 0.00 O ATOM 696 CB THR A 48 6.238 -13.569 -11.405 1.00 0.00 C ATOM 697 OG1 THR A 48 6.533 -14.645 -10.525 1.00 0.00 O ATOM 698 CG2 THR A 48 7.019 -12.353 -10.894 1.00 0.00 C ATOM 0 H THR A 48 4.542 -14.254 -9.586 1.00 0.00 H new ATOM 0 HA THR A 48 4.561 -12.168 -11.560 1.00 0.00 H new ATOM 0 HB THR A 48 6.521 -13.842 -12.422 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.358 -15.496 -10.979 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.083 -12.587 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.846 -11.505 -11.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.683 -12.102 -9.888 1.00 0.00 H new ATOM 706 N ARG A 49 3.147 -14.774 -12.773 1.00 0.00 N ATOM 707 CA ARG A 49 2.813 -15.867 -11.833 1.00 0.00 C ATOM 708 C ARG A 49 3.251 -17.223 -12.423 1.00 0.00 C ATOM 709 O ARG A 49 3.221 -17.412 -13.638 1.00 0.00 O ATOM 710 CB ARG A 49 1.281 -15.961 -11.622 1.00 0.00 C ATOM 711 CG ARG A 49 0.672 -14.862 -10.747 1.00 0.00 C ATOM 712 CD ARG A 49 -0.819 -15.045 -10.412 1.00 0.00 C ATOM 713 NE ARG A 49 -1.099 -16.323 -9.724 1.00 0.00 N ATOM 714 CZ ARG A 49 -2.154 -16.666 -9.009 1.00 0.00 C ATOM 715 NH1 ARG A 49 -3.131 -15.858 -8.717 1.00 0.00 N ATOM 716 NH2 ARG A 49 -2.230 -17.886 -8.574 1.00 0.00 N ATOM 0 H ARG A 49 2.559 -14.852 -13.603 1.00 0.00 H new ATOM 0 HA ARG A 49 3.323 -15.653 -10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.795 -15.937 -12.597 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.051 -16.928 -11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.234 -14.808 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.800 -13.904 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.149 -14.219 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.402 -14.998 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.377 -17.038 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.110 -14.893 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.918 -16.190 -8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.486 -18.551 -8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.033 -18.180 -8.019 1.00 0.00 H new ATOM 730 N GLU A 50 3.563 -18.237 -11.621 1.00 0.00 N ATOM 731 CA GLU A 50 3.964 -18.180 -10.208 1.00 0.00 C ATOM 732 C GLU A 50 5.467 -17.829 -10.094 1.00 0.00 C ATOM 733 O GLU A 50 6.149 -17.613 -11.101 1.00 0.00 O ATOM 734 CB GLU A 50 3.678 -19.542 -9.542 1.00 0.00 C ATOM 735 CG GLU A 50 2.224 -20.026 -9.677 1.00 0.00 C ATOM 736 CD GLU A 50 1.175 -19.034 -9.139 1.00 0.00 C ATOM 737 OE1 GLU A 50 1.441 -18.301 -8.160 1.00 0.00 O ATOM 738 OE2 GLU A 50 0.051 -18.977 -9.697 1.00 0.00 O ATOM 0 H GLU A 50 3.542 -19.197 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 50 3.391 -17.405 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.339 -20.291 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.928 -19.474 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.015 -20.224 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.117 -20.973 -9.147 1.00 0.00 H new ATOM 745 N GLY A 51 5.995 -17.788 -8.868 1.00 0.00 N ATOM 746 CA GLY A 51 7.439 -17.803 -8.591 1.00 0.00 C ATOM 747 C GLY A 51 7.858 -16.896 -7.434 1.00 0.00 C ATOM 748 O GLY A 51 8.446 -17.365 -6.455 1.00 0.00 O ATOM 0 H GLY A 51 5.424 -17.743 -8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.745 -18.825 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.975 -17.499 -9.490 1.00 0.00 H new ATOM 752 N ARG A 52 7.553 -15.598 -7.548 1.00 0.00 N ATOM 753 CA ARG A 52 8.032 -14.527 -6.651 1.00 0.00 C ATOM 754 C ARG A 52 7.077 -13.332 -6.664 1.00 0.00 C ATOM 755 O ARG A 52 6.193 -13.260 -7.522 1.00 0.00 O ATOM 756 CB ARG A 52 9.437 -14.116 -7.144 1.00 0.00 C ATOM 757 CG ARG A 52 10.337 -13.459 -6.081 1.00 0.00 C ATOM 758 CD ARG A 52 10.931 -12.119 -6.531 1.00 0.00 C ATOM 759 NE ARG A 52 11.734 -12.227 -7.766 1.00 0.00 N ATOM 760 CZ ARG A 52 11.463 -11.703 -8.951 1.00 0.00 C ATOM 761 NH1 ARG A 52 10.371 -11.039 -9.205 1.00 0.00 N ATOM 762 NH2 ARG A 52 12.307 -11.847 -9.933 1.00 0.00 N ATOM 0 H ARG A 52 6.947 -15.248 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 52 8.075 -14.882 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.943 -15.001 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.324 -13.425 -7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.758 -13.304 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.149 -14.142 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.123 -11.406 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.556 -11.719 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 52 12.596 -12.767 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.675 -10.902 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.212 -10.656 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.175 -12.363 -9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.100 -11.444 -10.847 1.00 0.00 H new ATOM 776 N GLN A 53 7.249 -12.378 -5.745 1.00 0.00 N ATOM 777 CA GLN A 53 6.542 -11.100 -5.825 1.00 0.00 C ATOM 778 C GLN A 53 7.007 -10.268 -7.040 1.00 0.00 C ATOM 779 O GLN A 53 8.070 -10.511 -7.620 1.00 0.00 O ATOM 780 CB GLN A 53 6.652 -10.259 -4.532 1.00 0.00 C ATOM 781 CG GLN A 53 6.259 -10.955 -3.219 1.00 0.00 C ATOM 782 CD GLN A 53 7.444 -11.608 -2.505 1.00 0.00 C ATOM 783 OE1 GLN A 53 8.052 -12.559 -2.981 1.00 0.00 O ATOM 784 NE2 GLN A 53 7.819 -11.135 -1.335 1.00 0.00 N ATOM 0 H GLN A 53 7.870 -12.467 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 53 5.490 -11.357 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.681 -9.912 -4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.027 -9.374 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.798 -10.226 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.506 -11.715 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.325 -10.344 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.604 -11.560 -0.841 1.00 0.00 H new ATOM 793 N SER A 54 6.249 -9.225 -7.374 1.00 0.00 N ATOM 794 CA SER A 54 6.620 -8.156 -8.306 1.00 0.00 C ATOM 795 C SER A 54 6.506 -6.795 -7.595 1.00 0.00 C ATOM 796 O SER A 54 6.064 -6.726 -6.446 1.00 0.00 O ATOM 797 CB SER A 54 5.725 -8.242 -9.551 1.00 0.00 C ATOM 798 OG SER A 54 6.201 -7.375 -10.567 1.00 0.00 O ATOM 0 H SER A 54 5.315 -9.094 -6.985 1.00 0.00 H new ATOM 0 HA SER A 54 7.654 -8.268 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.704 -9.267 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.701 -7.976 -9.289 1.00 0.00 H new ATOM 0 HG SER A 54 5.621 -7.443 -11.354 1.00 0.00 H new ATOM 804 N GLY A 55 6.869 -5.695 -8.260 1.00 0.00 N ATOM 805 CA GLY A 55 6.724 -4.330 -7.721 1.00 0.00 C ATOM 806 C GLY A 55 5.302 -3.778 -7.795 1.00 0.00 C ATOM 807 O GLY A 55 5.121 -2.576 -7.977 1.00 0.00 O ATOM 0 H GLY A 55 7.275 -5.721 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.050 -4.325 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.390 -3.662 -8.267 1.00 0.00 H new ATOM 811 N GLU A 56 4.295 -4.637 -7.637 1.00 0.00 N ATOM 812 CA GLU A 56 2.937 -4.246 -7.294 1.00 0.00 C ATOM 813 C GLU A 56 2.345 -5.125 -6.177 1.00 0.00 C ATOM 814 O GLU A 56 2.742 -6.273 -5.957 1.00 0.00 O ATOM 815 CB GLU A 56 2.021 -4.193 -8.534 1.00 0.00 C ATOM 816 CG GLU A 56 1.768 -2.741 -8.959 1.00 0.00 C ATOM 817 CD GLU A 56 0.697 -2.607 -10.060 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.439 -3.111 -9.879 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.951 -1.934 -11.086 1.00 0.00 O ATOM 0 H GLU A 56 4.408 -5.645 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 56 2.993 -3.232 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.480 -4.743 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.073 -4.683 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.458 -2.163 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.702 -2.306 -9.315 1.00 0.00 H new ATOM 826 N ALA A 57 1.388 -4.554 -5.456 1.00 0.00 N ATOM 827 CA ALA A 57 0.651 -5.145 -4.342 1.00 0.00 C ATOM 828 C ALA A 57 -0.664 -4.375 -4.114 1.00 0.00 C ATOM 829 O ALA A 57 -0.873 -3.321 -4.710 1.00 0.00 O ATOM 830 CB ALA A 57 1.547 -5.074 -3.100 1.00 0.00 C ATOM 0 H ALA A 57 1.084 -3.599 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 57 0.394 -6.183 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.024 -5.509 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.467 -5.629 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.788 -4.033 -2.885 1.00 0.00 H new ATOM 836 N PHE A 58 -1.558 -4.877 -3.263 1.00 0.00 N ATOM 837 CA PHE A 58 -2.899 -4.308 -3.035 1.00 0.00 C ATOM 838 C PHE A 58 -3.359 -4.580 -1.589 1.00 0.00 C ATOM 839 O PHE A 58 -3.244 -5.702 -1.099 1.00 0.00 O ATOM 840 CB PHE A 58 -3.874 -5.001 -3.980 1.00 0.00 C ATOM 841 CG PHE A 58 -3.808 -4.517 -5.416 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.807 -5.014 -6.273 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.695 -3.532 -5.890 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.622 -4.452 -7.544 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.611 -3.101 -7.222 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.550 -3.522 -8.031 1.00 0.00 C ATOM 0 H PHE A 58 -1.373 -5.706 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.869 -3.232 -3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.678 -6.073 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.888 -4.856 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.179 -5.831 -5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.438 -3.109 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.769 -4.734 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.367 -2.443 -7.624 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.446 -3.130 -9.032 1.00 0.00 H new ATOM 856 N VAL A 59 -3.927 -3.590 -0.903 1.00 0.00 N ATOM 857 CA VAL A 59 -4.157 -3.602 0.557 1.00 0.00 C ATOM 858 C VAL A 59 -5.493 -2.951 0.931 1.00 0.00 C ATOM 859 O VAL A 59 -5.608 -1.731 0.916 1.00 0.00 O ATOM 860 CB VAL A 59 -2.989 -2.894 1.285 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.191 -2.905 2.805 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.651 -3.597 1.024 1.00 0.00 C ATOM 0 H VAL A 59 -4.251 -2.732 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.202 -4.643 0.877 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.973 -1.875 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.354 -2.400 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.118 -2.388 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.245 -3.935 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.855 -3.071 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.705 -4.626 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.441 -3.594 -0.046 1.00 0.00 H new ATOM 872 N GLU A 60 -6.497 -3.754 1.297 1.00 0.00 N ATOM 873 CA GLU A 60 -7.706 -3.323 2.023 1.00 0.00 C ATOM 874 C GLU A 60 -7.333 -2.666 3.370 1.00 0.00 C ATOM 875 O GLU A 60 -7.022 -3.352 4.345 1.00 0.00 O ATOM 876 CB GLU A 60 -8.638 -4.527 2.287 1.00 0.00 C ATOM 877 CG GLU A 60 -9.369 -5.112 1.070 1.00 0.00 C ATOM 878 CD GLU A 60 -10.679 -4.365 0.734 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.823 -3.183 1.110 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.578 -4.964 0.093 1.00 0.00 O ATOM 0 H GLU A 60 -6.495 -4.753 1.092 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.224 -2.593 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.047 -5.321 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.386 -4.224 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.707 -5.079 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.594 -6.162 1.259 1.00 0.00 H new ATOM 887 N LEU A 61 -7.335 -1.334 3.431 1.00 0.00 N ATOM 888 CA LEU A 61 -7.140 -0.561 4.670 1.00 0.00 C ATOM 889 C LEU A 61 -8.302 -0.721 5.674 1.00 0.00 C ATOM 890 O LEU A 61 -9.263 -1.453 5.440 1.00 0.00 O ATOM 891 CB LEU A 61 -6.821 0.917 4.372 1.00 0.00 C ATOM 892 CG LEU A 61 -5.412 1.132 3.822 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.198 2.319 2.943 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.349 1.121 4.900 1.00 0.00 C ATOM 0 H LEU A 61 -7.474 -0.746 2.609 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.267 -0.987 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.546 1.300 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.939 1.499 5.286 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.309 0.262 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.156 2.352 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.844 2.245 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.437 3.228 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.370 1.279 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.550 1.917 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.361 0.159 5.413 1.00 0.00 H new ATOM 906 N GLY A 62 -8.202 -0.059 6.829 1.00 0.00 N ATOM 907 CA GLY A 62 -9.142 -0.188 7.944 1.00 0.00 C ATOM 908 C GLY A 62 -10.295 0.819 7.961 1.00 0.00 C ATOM 909 O GLY A 62 -11.299 0.575 8.633 1.00 0.00 O ATOM 0 H GLY A 62 -7.446 0.598 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.563 -1.193 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.586 -0.092 8.877 1.00 0.00 H new ATOM 913 N SER A 63 -10.210 1.855 7.128 1.00 0.00 N ATOM 914 CA SER A 63 -11.304 2.724 6.686 1.00 0.00 C ATOM 915 C SER A 63 -10.880 3.421 5.389 1.00 0.00 C ATOM 916 O SER A 63 -9.714 3.360 5.001 1.00 0.00 O ATOM 917 CB SER A 63 -11.627 3.772 7.754 1.00 0.00 C ATOM 918 OG SER A 63 -12.882 4.361 7.474 1.00 0.00 O ATOM 0 H SER A 63 -9.318 2.129 6.716 1.00 0.00 H new ATOM 0 HA SER A 63 -12.198 2.123 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.643 3.308 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.851 4.537 7.774 1.00 0.00 H new ATOM 0 HG SER A 63 -12.761 5.315 7.287 1.00 0.00 H new ATOM 924 N GLU A 64 -11.768 4.150 4.722 1.00 0.00 N ATOM 925 CA GLU A 64 -11.365 4.996 3.584 1.00 0.00 C ATOM 926 C GLU A 64 -10.559 6.215 4.055 1.00 0.00 C ATOM 927 O GLU A 64 -9.750 6.763 3.322 1.00 0.00 O ATOM 928 CB GLU A 64 -12.579 5.411 2.762 1.00 0.00 C ATOM 929 CG GLU A 64 -12.173 5.673 1.307 1.00 0.00 C ATOM 930 CD GLU A 64 -13.384 6.224 0.549 1.00 0.00 C ATOM 931 OE1 GLU A 64 -13.704 7.409 0.802 1.00 0.00 O ATOM 932 OE2 GLU A 64 -14.033 5.501 -0.241 1.00 0.00 O ATOM 0 H GLU A 64 -12.764 4.179 4.940 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.713 4.407 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.337 4.628 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.026 6.309 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.348 6.384 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.823 4.752 0.841 1.00 0.00 H new ATOM 939 N ASP A 65 -10.715 6.627 5.308 1.00 0.00 N ATOM 940 CA ASP A 65 -9.859 7.610 5.965 1.00 0.00 C ATOM 941 C ASP A 65 -8.402 7.125 6.016 1.00 0.00 C ATOM 942 O ASP A 65 -7.478 7.896 5.778 1.00 0.00 O ATOM 943 CB ASP A 65 -10.424 7.804 7.373 1.00 0.00 C ATOM 944 CG ASP A 65 -11.931 8.045 7.329 1.00 0.00 C ATOM 945 OD1 ASP A 65 -12.693 7.052 7.374 1.00 0.00 O ATOM 946 OD2 ASP A 65 -12.384 9.171 7.052 1.00 0.00 O ATOM 0 H ASP A 65 -11.460 6.278 5.911 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.851 8.551 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.210 6.924 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.931 8.649 7.853 1.00 0.00 H new ATOM 951 N ASP A 66 -8.199 5.824 6.230 1.00 0.00 N ATOM 952 CA ASP A 66 -6.922 5.138 6.016 1.00 0.00 C ATOM 953 C ASP A 66 -6.493 5.161 4.551 1.00 0.00 C ATOM 954 O ASP A 66 -5.339 5.486 4.286 1.00 0.00 O ATOM 955 CB ASP A 66 -6.945 3.762 6.667 1.00 0.00 C ATOM 956 CG ASP A 66 -7.120 3.931 8.182 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.190 4.463 8.838 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.199 3.573 8.708 1.00 0.00 O ATOM 0 H ASP A 66 -8.935 5.203 6.565 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.129 5.689 6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.760 3.165 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.020 3.228 6.452 1.00 0.00 H new ATOM 963 N VAL A 67 -7.383 4.940 3.577 1.00 0.00 N ATOM 964 CA VAL A 67 -7.021 5.046 2.154 1.00 0.00 C ATOM 965 C VAL A 67 -6.422 6.414 1.822 1.00 0.00 C ATOM 966 O VAL A 67 -5.321 6.511 1.286 1.00 0.00 O ATOM 967 CB VAL A 67 -8.191 4.691 1.220 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.898 3.400 1.598 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.941 5.769 0.429 1.00 0.00 C ATOM 0 H VAL A 67 -8.357 4.687 3.745 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.246 4.301 1.974 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.663 4.461 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.711 3.212 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.189 2.573 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.301 3.488 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.727 5.303 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.385 6.485 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.245 6.286 -0.232 1.00 0.00 H new ATOM 979 N LYS A 68 -7.120 7.467 2.251 1.00 0.00 N ATOM 980 CA LYS A 68 -6.717 8.877 2.285 1.00 0.00 C ATOM 981 C LYS A 68 -5.375 9.116 2.995 1.00 0.00 C ATOM 982 O LYS A 68 -4.515 9.801 2.441 1.00 0.00 O ATOM 983 CB LYS A 68 -7.879 9.631 2.954 1.00 0.00 C ATOM 984 CG LYS A 68 -8.878 10.196 1.932 1.00 0.00 C ATOM 985 CD LYS A 68 -10.174 10.656 2.621 1.00 0.00 C ATOM 986 CE LYS A 68 -11.257 9.569 2.608 1.00 0.00 C ATOM 987 NZ LYS A 68 -12.048 9.586 1.353 1.00 0.00 N ATOM 0 H LYS A 68 -8.065 7.346 2.616 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.535 9.242 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.401 8.958 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.480 10.447 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.426 11.035 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.109 9.436 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.956 10.936 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.552 11.548 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.791 8.591 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.924 9.712 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.519 8.667 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.764 10.338 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.416 9.765 0.547 1.00 0.00 H new ATOM 1001 N MET A 69 -5.145 8.519 4.167 1.00 0.00 N ATOM 1002 CA MET A 69 -3.845 8.559 4.863 1.00 0.00 C ATOM 1003 C MET A 69 -2.727 7.906 4.038 1.00 0.00 C ATOM 1004 O MET A 69 -1.604 8.400 4.007 1.00 0.00 O ATOM 1005 CB MET A 69 -3.917 7.837 6.208 1.00 0.00 C ATOM 1006 CG MET A 69 -4.866 8.486 7.204 1.00 0.00 C ATOM 1007 SD MET A 69 -4.104 9.490 8.492 1.00 0.00 S ATOM 1008 CE MET A 69 -5.558 9.451 9.564 1.00 0.00 C ATOM 0 H MET A 69 -5.858 7.989 4.668 1.00 0.00 H new ATOM 0 HA MET A 69 -3.617 9.615 5.010 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.231 6.807 6.040 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.918 7.799 6.643 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.567 9.112 6.651 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.450 7.700 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.369 10.048 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.415 9.860 9.029 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.768 8.422 9.854 1.00 0.00 H new ATOM 1018 N ALA A 70 -3.024 6.807 3.348 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.076 6.132 2.475 1.00 0.00 C ATOM 1020 C ALA A 70 -1.780 6.944 1.195 1.00 0.00 C ATOM 1021 O ALA A 70 -0.641 6.952 0.723 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.585 4.705 2.239 1.00 0.00 C ATOM 0 H ALA A 70 -3.939 6.358 3.382 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.097 6.059 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.892 4.175 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.657 4.182 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.568 4.742 1.770 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.746 7.726 0.691 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.532 8.699 -0.386 1.00 0.00 C ATOM 1030 C LEU A 71 -1.565 9.837 -0.022 1.00 0.00 C ATOM 1031 O LEU A 71 -0.889 10.355 -0.911 1.00 0.00 O ATOM 1032 CB LEU A 71 -3.839 9.343 -0.860 1.00 0.00 C ATOM 1033 CG LEU A 71 -4.986 8.427 -1.317 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -5.882 9.231 -2.249 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.601 7.128 -2.025 1.00 0.00 C ATOM 0 H LEU A 71 -3.709 7.699 1.025 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.087 8.101 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.215 9.965 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.598 10.010 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.471 8.103 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.707 8.605 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.278 10.095 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.303 9.569 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.503 6.578 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.036 7.359 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.989 6.519 -1.360 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.443 10.217 1.262 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.412 11.181 1.720 1.00 0.00 C ATOM 1049 C LYS A 72 1.008 10.807 1.262 1.00 0.00 C ATOM 1050 O LYS A 72 1.864 11.676 1.090 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.388 11.304 3.255 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.750 11.614 3.889 1.00 0.00 C ATOM 1053 CD LYS A 72 -1.718 11.746 5.423 1.00 0.00 C ATOM 1054 CE LYS A 72 -0.932 10.633 6.140 1.00 0.00 C ATOM 1055 NZ LYS A 72 -1.010 10.724 7.620 1.00 0.00 N ATOM 0 H LYS A 72 -2.046 9.872 2.009 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.697 12.130 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.009 10.373 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.315 12.089 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.133 12.542 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.452 10.825 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.280 12.709 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.742 11.750 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.315 9.663 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.113 10.680 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.233 10.177 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.932 11.719 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.920 10.339 7.944 1.00 0.00 H new ATOM 1069 N LYS A 73 1.234 9.503 1.066 1.00 0.00 N ATOM 1070 CA LYS A 73 2.500 8.859 0.685 1.00 0.00 C ATOM 1071 C LYS A 73 2.527 8.401 -0.779 1.00 0.00 C ATOM 1072 O LYS A 73 3.409 7.631 -1.140 1.00 0.00 O ATOM 1073 CB LYS A 73 2.760 7.663 1.632 1.00 0.00 C ATOM 1074 CG LYS A 73 2.726 7.959 3.141 1.00 0.00 C ATOM 1075 CD LYS A 73 3.951 8.700 3.699 1.00 0.00 C ATOM 1076 CE LYS A 73 5.088 7.780 4.178 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.765 7.062 5.437 1.00 0.00 N ATOM 0 H LYS A 73 0.485 8.820 1.177 1.00 0.00 H new ATOM 0 HA LYS A 73 3.292 9.602 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.019 6.893 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.736 7.242 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.836 8.550 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.619 7.015 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.339 9.366 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.633 9.327 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.311 7.052 3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.990 8.374 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.591 7.081 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.961 7.526 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.517 6.075 5.220 1.00 0.00 H new ATOM 1091 N ASP A 74 1.593 8.830 -1.636 1.00 0.00 N ATOM 1092 CA ASP A 74 1.361 8.218 -2.956 1.00 0.00 C ATOM 1093 C ASP A 74 2.473 8.290 -4.027 1.00 0.00 C ATOM 1094 O ASP A 74 2.192 7.960 -5.177 1.00 0.00 O ATOM 1095 CB ASP A 74 0.008 8.638 -3.566 1.00 0.00 C ATOM 1096 CG ASP A 74 0.023 9.951 -4.375 1.00 0.00 C ATOM 1097 OD1 ASP A 74 0.773 10.897 -4.044 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.689 10.030 -5.407 1.00 0.00 O ATOM 0 H ASP A 74 0.973 9.614 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 74 1.361 7.164 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.343 7.836 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.719 8.737 -2.760 1.00 0.00 H new ATOM 1103 N ARG A 75 3.708 8.685 -3.698 1.00 0.00 N ATOM 1104 CA ARG A 75 4.923 8.533 -4.517 1.00 0.00 C ATOM 1105 C ARG A 75 6.204 8.615 -3.672 1.00 0.00 C ATOM 1106 O ARG A 75 7.232 9.148 -4.091 1.00 0.00 O ATOM 1107 CB ARG A 75 4.857 9.550 -5.680 1.00 0.00 C ATOM 1108 CG ARG A 75 4.845 8.818 -7.025 1.00 0.00 C ATOM 1109 CD ARG A 75 4.279 9.670 -8.176 1.00 0.00 C ATOM 1110 NE ARG A 75 2.832 9.423 -8.361 1.00 0.00 N ATOM 1111 CZ ARG A 75 1.819 9.902 -7.660 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.903 10.926 -6.862 1.00 0.00 N ATOM 1113 NH2 ARG A 75 0.667 9.319 -7.748 1.00 0.00 N ATOM 0 H ARG A 75 3.900 9.144 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 75 4.965 7.534 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.962 10.165 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.713 10.224 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.861 8.513 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.253 7.908 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.447 10.727 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.811 9.439 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 75 2.584 8.801 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.792 11.412 -6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.079 11.243 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.552 8.504 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.126 9.674 -7.215 1.00 0.00 H new ATOM 1127 N GLU A 76 6.115 8.101 -2.449 1.00 0.00 N ATOM 1128 CA GLU A 76 7.230 7.883 -1.530 1.00 0.00 C ATOM 1129 C GLU A 76 8.279 6.888 -2.070 1.00 0.00 C ATOM 1130 O GLU A 76 8.169 6.351 -3.174 1.00 0.00 O ATOM 1131 CB GLU A 76 6.641 7.341 -0.214 1.00 0.00 C ATOM 1132 CG GLU A 76 6.447 8.359 0.913 1.00 0.00 C ATOM 1133 CD GLU A 76 7.766 8.920 1.496 1.00 0.00 C ATOM 1134 OE1 GLU A 76 8.842 8.794 0.862 1.00 0.00 O ATOM 1135 OE2 GLU A 76 7.730 9.475 2.621 1.00 0.00 O ATOM 0 H GLU A 76 5.221 7.811 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 76 7.751 8.830 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.675 6.886 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.292 6.547 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.847 9.188 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.878 7.891 1.716 1.00 0.00 H new ATOM 1142 N SER A 77 9.247 6.558 -1.216 1.00 0.00 N ATOM 1143 CA SER A 77 10.014 5.309 -1.266 1.00 0.00 C ATOM 1144 C SER A 77 10.008 4.570 0.086 1.00 0.00 C ATOM 1145 O SER A 77 9.881 5.191 1.146 1.00 0.00 O ATOM 1146 CB SER A 77 11.446 5.569 -1.749 1.00 0.00 C ATOM 1147 OG SER A 77 12.172 6.399 -0.852 1.00 0.00 O ATOM 0 H SER A 77 9.529 7.167 -0.448 1.00 0.00 H new ATOM 0 HA SER A 77 9.523 4.655 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.967 4.619 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.417 6.038 -2.732 1.00 0.00 H new ATOM 0 HG SER A 77 13.079 6.538 -1.196 1.00 0.00 H new ATOM 1153 N MET A 78 10.143 3.238 0.057 1.00 0.00 N ATOM 1154 CA MET A 78 10.359 2.380 1.236 1.00 0.00 C ATOM 1155 C MET A 78 11.144 1.109 0.859 1.00 0.00 C ATOM 1156 O MET A 78 11.166 0.692 -0.303 1.00 0.00 O ATOM 1157 CB MET A 78 9.027 2.090 1.978 1.00 0.00 C ATOM 1158 CG MET A 78 9.248 1.544 3.396 1.00 0.00 C ATOM 1159 SD MET A 78 10.253 2.583 4.491 1.00 0.00 S ATOM 1160 CE MET A 78 10.023 1.659 6.030 1.00 0.00 C ATOM 0 H MET A 78 10.104 2.708 -0.814 1.00 0.00 H new ATOM 0 HA MET A 78 10.982 2.921 1.949 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.439 3.006 2.033 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.444 1.371 1.403 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.275 1.392 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.721 0.565 3.319 1.00 0.00 H new ATOM 0 HE1 MET A 78 10.573 2.149 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 78 8.963 1.629 6.281 1.00 0.00 H new ATOM 0 HE3 MET A 78 10.395 0.642 5.903 1.00 0.00 H new ATOM 1170 N GLY A 79 11.867 0.536 1.827 1.00 0.00 N ATOM 1171 CA GLY A 79 12.894 -0.492 1.611 1.00 0.00 C ATOM 1172 C GLY A 79 14.130 0.098 0.921 1.00 0.00 C ATOM 1173 O GLY A 79 15.106 0.455 1.584 1.00 0.00 O ATOM 0 H GLY A 79 11.752 0.781 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.182 -0.929 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.484 -1.298 1.002 1.00 0.00 H new ATOM 1177 N HIS A 80 14.044 0.271 -0.402 1.00 0.00 N ATOM 1178 CA HIS A 80 14.975 1.061 -1.230 1.00 0.00 C ATOM 1179 C HIS A 80 14.335 1.555 -2.553 1.00 0.00 C ATOM 1180 O HIS A 80 15.047 1.919 -3.494 1.00 0.00 O ATOM 1181 CB HIS A 80 16.262 0.247 -1.486 1.00 0.00 C ATOM 1182 CG HIS A 80 16.111 -0.949 -2.399 1.00 0.00 C ATOM 1183 ND1 HIS A 80 15.520 -2.157 -2.091 1.00 0.00 N ATOM 1184 CD2 HIS A 80 16.601 -1.058 -3.673 1.00 0.00 C ATOM 1185 CE1 HIS A 80 15.643 -2.968 -3.156 1.00 0.00 C ATOM 1186 NE2 HIS A 80 16.294 -2.338 -4.151 1.00 0.00 N ATOM 0 H HIS A 80 13.295 -0.150 -0.952 1.00 0.00 H new ATOM 0 HA HIS A 80 15.230 1.964 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.013 0.913 -1.911 1.00 0.00 H new ATOM 0 HB3 HIS A 80 16.649 -0.098 -0.527 1.00 0.00 H new ATOM 0 HD2 HIS A 80 17.132 -0.290 -4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.272 -3.981 -3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 80 16.519 -2.717 -5.071 1.00 0.00 H new ATOM 1194 N ARG A 81 12.997 1.506 -2.672 1.00 0.00 N ATOM 1195 CA ARG A 81 12.217 1.493 -3.932 1.00 0.00 C ATOM 1196 C ARG A 81 10.960 2.357 -3.831 1.00 0.00 C ATOM 1197 O ARG A 81 10.476 2.604 -2.729 1.00 0.00 O ATOM 1198 CB ARG A 81 11.798 0.032 -4.176 1.00 0.00 C ATOM 1199 CG ARG A 81 12.884 -0.944 -4.660 1.00 0.00 C ATOM 1200 CD ARG A 81 13.540 -0.589 -6.000 1.00 0.00 C ATOM 1201 NE ARG A 81 14.558 0.459 -5.837 1.00 0.00 N ATOM 1202 CZ ARG A 81 15.456 0.887 -6.699 1.00 0.00 C ATOM 1203 NH1 ARG A 81 15.549 0.418 -7.910 1.00 0.00 N ATOM 1204 NH2 ARG A 81 16.284 1.818 -6.324 1.00 0.00 N ATOM 0 H ARG A 81 12.394 1.472 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 81 12.825 1.894 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.383 -0.359 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.992 0.031 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.662 -1.002 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.444 -1.938 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.998 -1.480 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.778 -0.252 -6.702 1.00 0.00 H new ATOM 0 HE ARG A 81 14.570 0.920 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.910 -0.312 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.261 0.780 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.228 2.200 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.989 2.166 -6.974 1.00 0.00 H new ATOM 1218 N TYR A 82 10.432 2.817 -4.966 1.00 0.00 N ATOM 1219 CA TYR A 82 9.273 3.726 -4.997 1.00 0.00 C ATOM 1220 C TYR A 82 7.985 3.039 -4.532 1.00 0.00 C ATOM 1221 O TYR A 82 7.736 1.865 -4.814 1.00 0.00 O ATOM 1222 CB TYR A 82 9.046 4.344 -6.390 1.00 0.00 C ATOM 1223 CG TYR A 82 9.849 5.602 -6.694 1.00 0.00 C ATOM 1224 CD1 TYR A 82 11.242 5.647 -6.485 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.185 6.741 -7.197 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.968 6.820 -6.779 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.905 7.914 -7.491 1.00 0.00 C ATOM 1228 CZ TYR A 82 11.301 7.958 -7.285 1.00 0.00 C ATOM 1229 OH TYR A 82 11.993 9.092 -7.579 1.00 0.00 O ATOM 0 H TYR A 82 10.790 2.574 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 82 9.516 4.527 -4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.283 3.593 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.986 4.577 -6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.756 4.779 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.117 6.712 -7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.035 6.848 -6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.389 8.782 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 82 11.375 9.774 -7.917 1.00 0.00 H new ATOM 1239 N ILE A 83 7.127 3.814 -3.875 1.00 0.00 N ATOM 1240 CA ILE A 83 5.841 3.361 -3.356 1.00 0.00 C ATOM 1241 C ILE A 83 4.757 4.356 -3.775 1.00 0.00 C ATOM 1242 O ILE A 83 4.315 5.210 -3.008 1.00 0.00 O ATOM 1243 CB ILE A 83 5.887 3.115 -1.831 1.00 0.00 C ATOM 1244 CG1 ILE A 83 7.154 2.415 -1.295 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.642 2.307 -1.459 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.367 0.956 -1.709 1.00 0.00 C ATOM 0 H ILE A 83 7.312 4.799 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 83 5.596 2.391 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 83 5.914 4.097 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.022 2.990 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.131 2.459 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.641 2.114 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.749 2.871 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.649 1.360 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.291 0.583 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.529 0.353 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.433 0.892 -2.795 1.00 0.00 H new ATOM 1258 N GLU A 84 4.353 4.279 -5.042 1.00 0.00 N ATOM 1259 CA GLU A 84 3.100 4.867 -5.482 1.00 0.00 C ATOM 1260 C GLU A 84 1.918 4.152 -4.808 1.00 0.00 C ATOM 1261 O GLU A 84 1.883 2.922 -4.756 1.00 0.00 O ATOM 1262 CB GLU A 84 3.038 4.843 -7.014 1.00 0.00 C ATOM 1263 CG GLU A 84 1.769 5.511 -7.536 1.00 0.00 C ATOM 1264 CD GLU A 84 1.915 5.994 -8.991 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.565 5.301 -9.812 1.00 0.00 O ATOM 1266 OE2 GLU A 84 1.410 7.103 -9.301 1.00 0.00 O ATOM 0 H GLU A 84 4.881 3.813 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 84 3.037 5.912 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.912 5.351 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.077 3.811 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.939 4.808 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.519 6.359 -6.898 1.00 0.00 H new ATOM 1273 N VAL A 85 0.947 4.918 -4.302 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.250 4.386 -3.615 1.00 0.00 C ATOM 1275 C VAL A 85 -1.499 4.845 -4.346 1.00 0.00 C ATOM 1276 O VAL A 85 -1.937 5.988 -4.207 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.362 4.744 -2.118 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.427 3.827 -1.500 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.951 4.532 -1.365 1.00 0.00 C ATOM 0 H VAL A 85 0.963 5.937 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.146 3.301 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.621 5.800 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.532 4.054 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.381 3.988 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.125 2.786 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.816 4.799 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.247 3.486 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.727 5.160 -1.803 1.00 0.00 H new ATOM 1289 N PHE A 86 -2.080 3.960 -5.146 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.334 4.234 -5.815 1.00 0.00 C ATOM 1291 C PHE A 86 -4.479 3.881 -4.881 1.00 0.00 C ATOM 1292 O PHE A 86 -4.482 2.850 -4.218 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.395 3.372 -7.067 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.534 3.810 -8.232 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.213 3.333 -8.330 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -3.041 4.680 -9.215 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.395 3.736 -9.398 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -2.223 5.076 -10.289 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.900 4.606 -10.380 1.00 0.00 C ATOM 0 H PHE A 86 -1.693 3.038 -5.345 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.411 5.287 -6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.110 2.356 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.431 3.333 -7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.828 2.656 -7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.056 5.043 -9.145 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.622 3.378 -9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.611 5.742 -11.045 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.273 4.913 -11.204 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.497 4.718 -4.926 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.857 4.421 -4.481 1.00 0.00 C ATOM 1311 C LYS A 87 -7.411 3.357 -5.422 1.00 0.00 C ATOM 1312 O LYS A 87 -7.276 3.488 -6.641 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.658 5.726 -4.530 1.00 0.00 C ATOM 1314 CG LYS A 87 -9.117 5.532 -4.112 1.00 0.00 C ATOM 1315 CD LYS A 87 -9.841 6.882 -3.992 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.443 7.627 -2.710 1.00 0.00 C ATOM 1317 NZ LYS A 87 -9.387 9.099 -2.915 1.00 0.00 N ATOM 0 H LYS A 87 -5.401 5.667 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.904 4.039 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.190 6.461 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.624 6.132 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.628 4.905 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.159 5.007 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.607 7.499 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.919 6.719 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.159 7.398 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.470 7.271 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.368 9.578 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.529 9.343 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.225 9.407 -3.448 1.00 0.00 H new ATOM 1331 N SER A 88 -7.976 2.289 -4.872 1.00 0.00 N ATOM 1332 CA SER A 88 -8.256 1.077 -5.628 1.00 0.00 C ATOM 1333 C SER A 88 -9.568 0.453 -5.181 1.00 0.00 C ATOM 1334 O SER A 88 -10.131 0.840 -4.153 1.00 0.00 O ATOM 1335 CB SER A 88 -7.102 0.097 -5.454 1.00 0.00 C ATOM 1336 OG SER A 88 -7.112 -0.853 -6.502 1.00 0.00 O ATOM 0 H SER A 88 -8.252 2.240 -3.891 1.00 0.00 H new ATOM 0 HA SER A 88 -8.354 1.329 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.154 0.636 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.186 -0.409 -4.492 1.00 0.00 H new ATOM 0 HG SER A 88 -6.402 -1.512 -6.353 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.044 -0.537 -5.932 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.228 -1.309 -5.579 1.00 0.00 C ATOM 1344 C HIS A 89 -10.986 -2.812 -5.765 1.00 0.00 C ATOM 1345 O HIS A 89 -10.130 -3.231 -6.554 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.439 -0.849 -6.424 1.00 0.00 C ATOM 1347 CG HIS A 89 -13.120 0.438 -6.000 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -12.755 1.285 -4.978 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -14.272 0.947 -6.537 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -13.653 2.280 -4.904 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -14.605 2.119 -5.840 1.00 0.00 N ATOM 0 H HIS A 89 -9.613 -0.827 -6.810 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.445 -1.132 -4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.109 -0.734 -7.456 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.183 -1.646 -6.414 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -11.938 1.175 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -14.830 0.520 -7.357 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.616 3.093 -4.194 1.00 0.00 H new ATOM 1359 N ARG A 90 -11.789 -3.635 -5.081 1.00 0.00 N ATOM 1360 CA ARG A 90 -11.798 -5.114 -5.110 1.00 0.00 C ATOM 1361 C ARG A 90 -12.382 -5.687 -6.423 1.00 0.00 C ATOM 1362 O ARG A 90 -13.212 -6.595 -6.429 1.00 0.00 O ATOM 1363 CB ARG A 90 -12.511 -5.571 -3.824 1.00 0.00 C ATOM 1364 CG ARG A 90 -12.378 -7.063 -3.449 1.00 0.00 C ATOM 1365 CD ARG A 90 -12.915 -7.358 -2.036 1.00 0.00 C ATOM 1366 NE ARG A 90 -14.346 -7.016 -1.911 1.00 0.00 N ATOM 1367 CZ ARG A 90 -14.846 -5.826 -1.617 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -14.166 -4.869 -1.054 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -16.074 -5.541 -1.929 1.00 0.00 N ATOM 0 H ARG A 90 -12.500 -3.267 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.785 -5.518 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.129 -4.976 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.571 -5.338 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.920 -7.668 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.330 -7.358 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.772 -8.414 -1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.340 -6.791 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.015 -7.770 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.186 -5.014 -0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.614 -3.974 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.654 -6.234 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.458 -4.624 -1.702 1.00 0.00 H new ATOM 1383 N THR A 91 -11.957 -5.119 -7.553 1.00 0.00 N ATOM 1384 CA THR A 91 -12.381 -5.444 -8.930 1.00 0.00 C ATOM 1385 C THR A 91 -11.209 -5.253 -9.896 1.00 0.00 C ATOM 1386 O THR A 91 -10.814 -6.200 -10.571 1.00 0.00 O ATOM 1387 CB THR A 91 -13.549 -4.546 -9.381 1.00 0.00 C ATOM 1388 OG1 THR A 91 -14.585 -4.525 -8.418 1.00 0.00 O ATOM 1389 CG2 THR A 91 -14.154 -5.007 -10.706 1.00 0.00 C ATOM 0 H THR A 91 -11.263 -4.371 -7.538 1.00 0.00 H new ATOM 0 HA THR A 91 -12.711 -6.483 -8.940 1.00 0.00 H new ATOM 0 HB THR A 91 -13.125 -3.549 -9.503 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.311 -3.946 -8.731 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.973 -4.343 -10.982 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.390 -4.983 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.531 -6.024 -10.599 1.00 0.00 H new ATOM 1397 N GLU A 92 -10.569 -4.077 -9.874 1.00 0.00 N ATOM 1398 CA GLU A 92 -9.211 -3.875 -10.411 1.00 0.00 C ATOM 1399 C GLU A 92 -8.244 -4.840 -9.719 1.00 0.00 C ATOM 1400 O GLU A 92 -7.539 -5.603 -10.374 1.00 0.00 O ATOM 1401 CB GLU A 92 -8.811 -2.392 -10.205 1.00 0.00 C ATOM 1402 CG GLU A 92 -7.313 -2.048 -10.034 1.00 0.00 C ATOM 1403 CD GLU A 92 -6.406 -2.248 -11.269 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -6.919 -2.485 -12.388 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -5.163 -2.106 -11.115 1.00 0.00 O ATOM 0 H GLU A 92 -10.980 -3.230 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.175 -4.089 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.186 -1.826 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.338 -2.026 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.237 -1.006 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.916 -2.654 -9.220 1.00 0.00 H new ATOM 1412 N MET A 93 -8.283 -4.884 -8.385 1.00 0.00 N ATOM 1413 CA MET A 93 -7.491 -5.821 -7.596 1.00 0.00 C ATOM 1414 C MET A 93 -7.782 -7.293 -7.936 1.00 0.00 C ATOM 1415 O MET A 93 -6.888 -8.123 -8.078 1.00 0.00 O ATOM 1416 CB MET A 93 -7.789 -5.557 -6.123 1.00 0.00 C ATOM 1417 CG MET A 93 -6.798 -6.329 -5.270 1.00 0.00 C ATOM 1418 SD MET A 93 -7.443 -7.866 -4.554 1.00 0.00 S ATOM 1419 CE MET A 93 -8.489 -7.129 -3.277 1.00 0.00 C ATOM 0 H MET A 93 -8.869 -4.267 -7.823 1.00 0.00 H new ATOM 0 HA MET A 93 -6.438 -5.660 -7.827 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.718 -4.490 -5.910 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.808 -5.862 -5.885 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.925 -6.567 -5.878 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.457 -5.683 -4.461 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.957 -7.919 -2.690 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.880 -6.504 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.261 -6.520 -3.746 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.054 -7.629 -8.103 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.462 -9.008 -8.385 1.00 0.00 C ATOM 1431 C ASP A 94 -8.961 -9.497 -9.756 1.00 0.00 C ATOM 1432 O ASP A 94 -8.601 -10.666 -9.908 1.00 0.00 O ATOM 1433 CB ASP A 94 -10.990 -9.088 -8.328 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.478 -10.540 -8.416 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.388 -11.275 -7.408 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -11.892 -10.979 -9.517 1.00 0.00 O ATOM 0 H ASP A 94 -9.827 -6.966 -8.049 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.014 -9.658 -7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.345 -8.639 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.417 -8.509 -9.147 1.00 0.00 H new ATOM 1441 N TRP A 95 -8.895 -8.586 -10.731 1.00 0.00 N ATOM 1442 CA TRP A 95 -8.239 -8.770 -12.027 1.00 0.00 C ATOM 1443 C TRP A 95 -6.737 -8.995 -11.833 1.00 0.00 C ATOM 1444 O TRP A 95 -6.208 -10.038 -12.228 1.00 0.00 O ATOM 1445 CB TRP A 95 -8.550 -7.547 -12.927 1.00 0.00 C ATOM 1446 CG TRP A 95 -7.477 -6.994 -13.832 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -7.165 -5.681 -13.918 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -6.565 -7.666 -14.765 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -6.136 -5.491 -14.817 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -5.715 -6.684 -15.360 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -6.347 -9.006 -15.156 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -4.708 -7.009 -16.282 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -5.349 -9.346 -16.091 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -4.528 -8.351 -16.653 1.00 0.00 C ATOM 0 H TRP A 95 -9.315 -7.662 -10.634 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.624 -9.659 -12.526 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -9.401 -7.812 -13.555 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.876 -6.737 -12.275 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -7.652 -4.893 -13.362 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.737 -4.581 -15.050 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.959 -9.787 -14.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.080 -6.237 -16.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.213 -10.378 -16.378 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.763 -8.618 -17.367 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.030 -8.046 -11.214 1.00 0.00 N ATOM 1466 CA VAL A 96 -4.567 -8.017 -11.312 1.00 0.00 C ATOM 1467 C VAL A 96 -3.869 -9.163 -10.578 1.00 0.00 C ATOM 1468 O VAL A 96 -2.805 -9.599 -11.011 1.00 0.00 O ATOM 1469 CB VAL A 96 -3.977 -6.684 -10.841 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -4.403 -5.519 -11.721 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.328 -6.358 -9.399 1.00 0.00 C ATOM 0 H VAL A 96 -6.437 -7.300 -10.649 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.372 -8.143 -12.377 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.898 -6.817 -10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.958 -4.597 -11.345 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.067 -5.693 -12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.489 -5.430 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.882 -5.402 -9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.411 -6.297 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.943 -7.140 -8.745 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.458 -9.709 -9.510 1.00 0.00 N ATOM 1482 CA LEU A 97 -3.910 -10.873 -8.808 1.00 0.00 C ATOM 1483 C LEU A 97 -3.979 -12.173 -9.642 1.00 0.00 C ATOM 1484 O LEU A 97 -3.336 -13.151 -9.265 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.590 -11.028 -7.432 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.002 -10.155 -6.296 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.333 -8.682 -6.397 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -4.654 -10.600 -4.982 1.00 0.00 C ATOM 0 H LEU A 97 -5.327 -9.357 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.847 -10.691 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.648 -10.789 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.529 -12.074 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.921 -10.281 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.880 -8.149 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.943 -8.285 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.415 -8.549 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.260 -10.003 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.733 -10.462 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.433 -11.652 -4.804 1.00 0.00 H new ATOM 1500 N LYS A 98 -4.698 -12.214 -10.777 1.00 0.00 N ATOM 1501 CA LYS A 98 -4.832 -13.387 -11.661 1.00 0.00 C ATOM 1502 C LYS A 98 -3.892 -13.336 -12.873 1.00 0.00 C ATOM 1503 O LYS A 98 -3.631 -14.361 -13.504 1.00 0.00 O ATOM 1504 CB LYS A 98 -6.286 -13.467 -12.144 1.00 0.00 C ATOM 1505 CG LYS A 98 -7.229 -13.740 -10.971 1.00 0.00 C ATOM 1506 CD LYS A 98 -8.664 -14.020 -11.432 1.00 0.00 C ATOM 1507 CE LYS A 98 -9.523 -14.336 -10.204 1.00 0.00 C ATOM 1508 NZ LYS A 98 -9.938 -13.108 -9.482 1.00 0.00 N ATOM 0 H LYS A 98 -5.219 -11.406 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.554 -14.270 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.565 -12.533 -12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.385 -14.257 -12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.860 -14.593 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.227 -12.882 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.066 -13.156 -11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.680 -14.857 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.409 -14.890 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.964 -14.982 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.950 -13.294 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.266 -12.341 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.889 -12.827 -9.794 1.00 0.00 H new ATOM 1522 N HIS A 99 -3.395 -12.141 -13.186 1.00 0.00 N ATOM 1523 CA HIS A 99 -2.519 -11.823 -14.315 1.00 0.00 C ATOM 1524 C HIS A 99 -1.248 -12.693 -14.388 1.00 0.00 C ATOM 1525 O HIS A 99 -0.542 -12.873 -13.393 1.00 0.00 O ATOM 1526 CB HIS A 99 -2.148 -10.339 -14.188 1.00 0.00 C ATOM 1527 CG HIS A 99 -1.057 -9.868 -15.103 1.00 0.00 C ATOM 1528 ND1 HIS A 99 -1.093 -9.890 -16.473 1.00 0.00 N ATOM 1529 CD2 HIS A 99 0.125 -9.282 -14.736 1.00 0.00 C ATOM 1530 CE1 HIS A 99 0.030 -9.325 -16.929 1.00 0.00 C ATOM 1531 NE2 HIS A 99 0.817 -8.938 -15.907 1.00 0.00 N ATOM 0 H HIS A 99 -3.606 -11.317 -12.624 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.055 -12.036 -15.240 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.040 -9.742 -14.376 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -1.845 -10.144 -13.159 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -1.846 -10.271 -17.046 1.00 0.00 H new ATOM 0 HD2 HIS A 99 0.464 -9.114 -13.725 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.273 -9.197 -17.974 1.00 0.00 H new ATOM 1539 N SER A 100 -0.926 -13.161 -15.596 1.00 0.00 N ATOM 1540 CA SER A 100 0.402 -13.677 -15.976 1.00 0.00 C ATOM 1541 C SER A 100 0.648 -13.599 -17.494 1.00 0.00 C ATOM 1542 O SER A 100 1.763 -13.324 -17.945 1.00 0.00 O ATOM 1543 CB SER A 100 0.545 -15.137 -15.529 1.00 0.00 C ATOM 1544 OG SER A 100 1.914 -15.501 -15.516 1.00 0.00 O ATOM 0 H SER A 100 -1.598 -13.195 -16.363 1.00 0.00 H new ATOM 0 HA SER A 100 1.140 -13.048 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.115 -15.267 -14.536 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.008 -15.790 -16.204 1.00 0.00 H new ATOM 0 HG SER A 100 2.051 -16.236 -14.883 1.00 0.00 H new ATOM 1550 N GLY A 101 -0.410 -13.798 -18.287 1.00 0.00 N ATOM 1551 CA GLY A 101 -0.446 -13.690 -19.746 1.00 0.00 C ATOM 1552 C GLY A 101 -1.585 -14.528 -20.354 1.00 0.00 C ATOM 1553 O GLY A 101 -1.297 -15.639 -20.817 1.00 0.00 O ATOM 0 H GLY A 101 -1.319 -14.054 -17.902 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.572 -12.645 -20.030 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.508 -14.020 -20.158 1.00 0.00 H new ATOM 1557 N PRO A 102 -2.858 -14.066 -20.368 1.00 0.00 N ATOM 1558 CA PRO A 102 -3.380 -12.779 -19.870 1.00 0.00 C ATOM 1559 C PRO A 102 -3.093 -12.447 -18.395 1.00 0.00 C ATOM 1560 O PRO A 102 -3.077 -13.366 -17.544 1.00 0.00 O ATOM 1561 CB PRO A 102 -4.895 -12.819 -20.115 1.00 0.00 C ATOM 1562 CG PRO A 102 -5.056 -13.807 -21.263 1.00 0.00 C ATOM 1563 CD PRO A 102 -3.943 -14.815 -20.992 1.00 0.00 C ATOM 1564 OXT PRO A 102 -2.854 -11.258 -18.104 1.00 0.00 O ATOM 0 HA PRO A 102 -2.861 -11.985 -20.407 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.435 -13.148 -19.227 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.283 -11.835 -20.378 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.039 -14.278 -21.258 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.938 -13.324 -22.233 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.292 -15.613 -20.337 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.610 -15.285 -21.917 1.00 0.00 H new TER 1572 PRO A 102