USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 53 HIS : no HE2:sc= -6.67! C(o=-12!,f=-12!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -5.37! C(o=-12!,f=-12!) USER MOD Set 2.1: A 41 THR OG1 : rot -80:sc= 0.215 USER MOD Set 2.2: A 43 SER OG : rot -57:sc= 0.0538 USER MOD Single : A 3 THR OG1 : rot 43:sc= 0.03 USER MOD Single : A 4 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.41) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.72 USER MOD Single : A 13 THR OG1 : rot 100:sc= 0.991 USER MOD Single : A 14 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.1!) USER MOD Single : A 17 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-5.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.35! K(o=-3.4!,f=-1) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.9) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0174 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 35:sc= -1.45! USER MOD Single : A 55 ASN : amide:sc= -0.413 K(o=-0.41,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.6) USER MOD Single : A 59 ASN : amide:sc= 0.635 K(o=0.63,f=-5.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.78! C(o=-8.8!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc=0.000277 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.56! C(o=-3.6!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -151:sc= -2.14! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.889 K(o=-0.89,f=-2.2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 109 LYS NZ :NH3+ -153:sc= -1 (180deg=-2.37!) USER MOD Single : A 111 ASN : amide:sc= -3.8 K(o=-3.8,f=-2.5!) USER MOD Single : A 115 TYR OH : rot -176:sc= -1.09 USER MOD Single : A 118 THR OG1 : rot -55:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -5.458 -2.002 15.240 1.00 0.00 N ATOM 32 CA THR A 3 -5.901 -3.352 15.545 1.00 0.00 C ATOM 33 C THR A 3 -5.911 -4.209 14.277 1.00 0.00 C ATOM 34 O THR A 3 -5.439 -5.345 14.288 1.00 0.00 O ATOM 35 CB THR A 3 -7.267 -3.259 16.226 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.969 -2.807 17.544 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.910 -4.631 16.439 1.00 0.00 C ATOM 0 HA THR A 3 -5.214 -3.849 16.230 1.00 0.00 H new ATOM 0 HB THR A 3 -7.930 -2.637 15.625 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.292 -2.100 17.502 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.877 -4.508 16.926 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.048 -5.122 15.475 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.263 -5.242 17.068 1.00 0.00 H new ATOM 45 N ASN A 4 -6.453 -3.632 13.215 1.00 0.00 N ATOM 46 CA ASN A 4 -6.530 -4.328 11.942 1.00 0.00 C ATOM 47 C ASN A 4 -5.164 -4.279 11.255 1.00 0.00 C ATOM 48 O ASN A 4 -4.664 -5.300 10.786 1.00 0.00 O ATOM 49 CB ASN A 4 -7.551 -3.667 11.014 1.00 0.00 C ATOM 50 CG ASN A 4 -8.681 -3.018 11.815 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.219 -1.984 11.453 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.011 -3.681 12.920 1.00 0.00 N ATOM 0 H ASN A 4 -6.843 -2.690 13.210 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.834 -5.356 12.138 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.056 -2.914 10.401 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.964 -4.411 10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.755 -3.329 13.523 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.520 -4.541 13.165 1.00 0.00 H new ATOM 59 N ALA A 5 -4.599 -3.081 11.217 1.00 0.00 N ATOM 60 CA ALA A 5 -3.301 -2.886 10.595 1.00 0.00 C ATOM 61 C ALA A 5 -2.322 -3.935 11.127 1.00 0.00 C ATOM 62 O ALA A 5 -1.637 -4.600 10.351 1.00 0.00 O ATOM 63 CB ALA A 5 -2.820 -1.456 10.854 1.00 0.00 C ATOM 0 H ALA A 5 -5.017 -2.236 11.607 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.370 -3.017 9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.846 -1.310 10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.535 -0.750 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.736 -1.289 11.928 1.00 0.00 H new ATOM 69 N GLU A 6 -2.287 -4.050 12.446 1.00 0.00 N ATOM 70 CA GLU A 6 -1.404 -5.007 13.091 1.00 0.00 C ATOM 71 C GLU A 6 -1.712 -6.425 12.605 1.00 0.00 C ATOM 72 O GLU A 6 -0.800 -7.216 12.369 1.00 0.00 O ATOM 73 CB GLU A 6 -1.513 -4.914 14.614 1.00 0.00 C ATOM 74 CG GLU A 6 -0.919 -6.156 15.283 1.00 0.00 C ATOM 75 CD GLU A 6 0.562 -6.311 14.934 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.364 -5.544 15.509 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.859 -7.194 14.101 1.00 0.00 O ATOM 0 H GLU A 6 -2.856 -3.496 13.086 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.377 -4.765 12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.993 -4.023 14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.559 -4.807 14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.036 -6.082 16.364 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.466 -7.043 14.963 1.00 0.00 H new ATOM 84 N LYS A 7 -3.000 -6.703 12.470 1.00 0.00 N ATOM 85 CA LYS A 7 -3.440 -8.012 12.017 1.00 0.00 C ATOM 86 C LYS A 7 -2.835 -8.300 10.641 1.00 0.00 C ATOM 87 O LYS A 7 -2.246 -9.358 10.428 1.00 0.00 O ATOM 88 CB LYS A 7 -4.967 -8.105 12.048 1.00 0.00 C ATOM 89 CG LYS A 7 -5.433 -9.544 11.820 1.00 0.00 C ATOM 90 CD LYS A 7 -5.700 -10.251 13.150 1.00 0.00 C ATOM 91 CE LYS A 7 -7.086 -10.898 13.159 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.999 -12.304 13.613 1.00 0.00 N ATOM 0 H LYS A 7 -3.754 -6.044 12.666 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.083 -8.789 12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.337 -7.747 13.009 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.390 -7.456 11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.340 -9.545 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.675 -10.091 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.939 -11.012 13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.624 -9.535 13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.751 -10.338 13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.519 -10.859 12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.949 -12.728 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.381 -12.839 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.606 -12.334 14.575 1.00 0.00 H new ATOM 106 N LEU A 8 -3.000 -7.339 9.744 1.00 0.00 N ATOM 107 CA LEU A 8 -2.478 -7.477 8.395 1.00 0.00 C ATOM 108 C LEU A 8 -0.983 -7.797 8.462 1.00 0.00 C ATOM 109 O LEU A 8 -0.526 -8.769 7.862 1.00 0.00 O ATOM 110 CB LEU A 8 -2.803 -6.233 7.565 1.00 0.00 C ATOM 111 CG LEU A 8 -4.281 -6.013 7.238 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.443 -5.190 5.958 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.030 -7.345 7.161 1.00 0.00 C ATOM 0 H LEU A 8 -3.488 -6.462 9.925 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.961 -8.309 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.435 -5.357 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.249 -6.290 6.628 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.728 -5.438 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.503 -5.048 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.966 -4.219 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.976 -5.716 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.078 -7.160 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.589 -7.966 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.957 -7.859 8.119 1.00 0.00 H new ATOM 125 N VAL A 9 -0.264 -6.962 9.197 1.00 0.00 N ATOM 126 CA VAL A 9 1.170 -7.145 9.351 1.00 0.00 C ATOM 127 C VAL A 9 1.448 -8.563 9.852 1.00 0.00 C ATOM 128 O VAL A 9 2.306 -9.280 9.342 1.00 0.00 O ATOM 129 CB VAL A 9 1.740 -6.063 10.270 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.225 -6.304 10.545 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.509 -4.668 9.684 1.00 0.00 C ATOM 0 H VAL A 9 -0.647 -6.157 9.693 1.00 0.00 H new ATOM 0 HA VAL A 9 1.674 -7.035 8.391 1.00 0.00 H new ATOM 0 HB VAL A 9 1.210 -6.118 11.221 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.605 -5.521 11.201 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.353 -7.274 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.776 -6.289 9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.924 -3.917 10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.999 -4.595 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.439 -4.496 9.564 1.00 0.00 H new ATOM 141 N TYR A 10 0.692 -8.957 10.880 1.00 0.00 N ATOM 142 CA TYR A 10 0.834 -10.272 11.472 1.00 0.00 C ATOM 143 C TYR A 10 0.155 -11.311 10.590 1.00 0.00 C ATOM 144 O TYR A 10 0.096 -12.475 10.982 1.00 0.00 O ATOM 145 CB TYR A 10 0.222 -10.267 12.870 1.00 0.00 C ATOM 146 CG TYR A 10 0.684 -11.416 13.734 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.828 -11.279 14.528 1.00 0.00 C ATOM 148 CD2 TYR A 10 -0.033 -12.619 13.740 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.256 -12.345 15.329 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.395 -13.685 14.540 1.00 0.00 C ATOM 151 CZ TYR A 10 1.540 -13.548 15.334 1.00 0.00 C ATOM 152 OH TYR A 10 1.957 -14.587 16.114 1.00 0.00 O ATOM 0 H TYR A 10 -0.025 -8.375 11.315 1.00 0.00 H new ATOM 0 HA TYR A 10 1.891 -10.527 11.552 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.472 -9.328 13.364 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.864 -10.302 12.783 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.381 -10.351 14.523 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.916 -12.724 13.127 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.138 -12.239 15.943 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.158 -14.613 14.545 1.00 0.00 H new ATOM 0 HH TYR A 10 1.348 -15.346 16.001 1.00 0.00 H new ATOM 162 N LYS A 11 -0.335 -10.881 9.437 1.00 0.00 N ATOM 163 CA LYS A 11 -1.002 -11.791 8.522 1.00 0.00 C ATOM 164 C LYS A 11 -0.131 -11.986 7.279 1.00 0.00 C ATOM 165 O LYS A 11 0.474 -13.034 7.063 1.00 0.00 O ATOM 166 CB LYS A 11 -2.416 -11.298 8.210 1.00 0.00 C ATOM 167 CG LYS A 11 -3.427 -11.862 9.211 1.00 0.00 C ATOM 168 CD LYS A 11 -3.689 -13.346 8.948 1.00 0.00 C ATOM 169 CE LYS A 11 -4.200 -14.045 10.210 1.00 0.00 C ATOM 170 NZ LYS A 11 -3.592 -15.388 10.341 1.00 0.00 N ATOM 0 H LYS A 11 -0.283 -9.914 9.115 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.126 -12.771 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.440 -10.209 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.694 -11.597 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.052 -11.729 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.362 -11.306 9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.420 -13.453 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.771 -13.826 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.961 -13.444 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.286 -14.133 10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.949 -15.848 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.841 -15.964 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.558 -15.296 10.401 1.00 0.00 H new ATOM 184 N TYR A 12 -0.082 -10.937 6.454 1.00 0.00 N ATOM 185 CA TYR A 12 0.697 -10.963 5.233 1.00 0.00 C ATOM 186 C TYR A 12 2.119 -11.411 5.537 1.00 0.00 C ATOM 187 O TYR A 12 2.805 -11.873 4.626 1.00 0.00 O ATOM 188 CB TYR A 12 0.691 -9.575 4.598 1.00 0.00 C ATOM 189 CG TYR A 12 -0.674 -9.134 4.128 1.00 0.00 C ATOM 190 CD1 TYR A 12 -1.151 -9.546 2.878 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.463 -8.311 4.942 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.417 -9.137 2.442 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.729 -7.903 4.506 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.206 -8.315 3.256 1.00 0.00 C ATOM 195 OH TYR A 12 -4.440 -7.917 2.831 1.00 0.00 O ATOM 0 H TYR A 12 -0.577 -10.061 6.618 1.00 0.00 H new ATOM 0 HA TYR A 12 0.257 -11.672 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.069 -8.852 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.378 -9.568 3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.542 -10.179 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.095 -7.991 5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.785 -9.455 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.338 -7.270 5.134 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.855 -7.352 3.516 1.00 0.00 H new ATOM 205 N THR A 13 2.531 -11.271 6.789 1.00 0.00 N ATOM 206 CA THR A 13 3.871 -11.667 7.185 1.00 0.00 C ATOM 207 C THR A 13 3.964 -13.190 7.303 1.00 0.00 C ATOM 208 O THR A 13 4.893 -13.802 6.779 1.00 0.00 O ATOM 209 CB THR A 13 4.217 -10.935 8.483 1.00 0.00 C ATOM 210 OG1 THR A 13 4.317 -9.568 8.094 1.00 0.00 O ATOM 211 CG2 THR A 13 5.617 -11.280 8.995 1.00 0.00 C ATOM 0 H THR A 13 1.959 -10.889 7.542 1.00 0.00 H new ATOM 0 HA THR A 13 4.606 -11.385 6.431 1.00 0.00 H new ATOM 0 HB THR A 13 3.480 -11.183 9.247 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.488 -9.100 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.812 -10.734 9.918 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.681 -12.351 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.358 -11.001 8.245 1.00 0.00 H new ATOM 219 N ASN A 14 2.987 -13.758 7.996 1.00 0.00 N ATOM 220 CA ASN A 14 2.947 -15.197 8.190 1.00 0.00 C ATOM 221 C ASN A 14 2.796 -15.887 6.833 1.00 0.00 C ATOM 222 O ASN A 14 3.579 -16.773 6.492 1.00 0.00 O ATOM 223 CB ASN A 14 1.755 -15.602 9.061 1.00 0.00 C ATOM 224 CG ASN A 14 1.713 -17.118 9.260 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.542 -17.860 8.759 1.00 0.00 O ATOM 226 ND2 ASN A 14 0.703 -17.536 10.018 1.00 0.00 N ATOM 0 H ASN A 14 2.218 -13.247 8.430 1.00 0.00 H new ATOM 0 HA ASN A 14 3.872 -15.497 8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.822 -15.106 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.829 -15.267 8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.588 -18.531 10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.044 -16.862 10.407 1.00 0.00 H new ATOM 233 N ILE A 15 1.786 -15.453 6.094 1.00 0.00 N ATOM 234 CA ILE A 15 1.523 -16.018 4.781 1.00 0.00 C ATOM 235 C ILE A 15 2.814 -16.011 3.960 1.00 0.00 C ATOM 236 O ILE A 15 3.146 -17.002 3.311 1.00 0.00 O ATOM 237 CB ILE A 15 0.361 -15.286 4.106 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.985 -15.827 4.593 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.486 -15.346 2.582 1.00 0.00 C ATOM 240 CD1 ILE A 15 -2.012 -14.701 4.727 1.00 0.00 C ATOM 0 H ILE A 15 1.140 -14.717 6.379 1.00 0.00 H new ATOM 0 HA ILE A 15 1.207 -17.057 4.870 1.00 0.00 H new ATOM 0 HB ILE A 15 0.408 -14.235 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.353 -16.579 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.855 -16.322 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.352 -14.818 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.420 -14.876 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.479 -16.386 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.960 -15.112 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.652 -13.963 5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.157 -14.224 3.758 1.00 0.00 H new ATOM 252 N ALA A 16 3.506 -14.883 4.015 1.00 0.00 N ATOM 253 CA ALA A 16 4.754 -14.735 3.284 1.00 0.00 C ATOM 254 C ALA A 16 5.788 -15.713 3.845 1.00 0.00 C ATOM 255 O ALA A 16 6.578 -16.284 3.095 1.00 0.00 O ATOM 256 CB ALA A 16 5.222 -13.281 3.364 1.00 0.00 C ATOM 0 H ALA A 16 3.227 -14.063 4.554 1.00 0.00 H new ATOM 0 HA ALA A 16 4.613 -14.975 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.158 -13.169 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.465 -12.631 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.377 -13.006 4.407 1.00 0.00 H new ATOM 262 N HIS A 17 5.749 -15.876 5.159 1.00 0.00 N ATOM 263 CA HIS A 17 6.673 -16.775 5.830 1.00 0.00 C ATOM 264 C HIS A 17 6.303 -18.224 5.508 1.00 0.00 C ATOM 265 O HIS A 17 7.161 -19.105 5.524 1.00 0.00 O ATOM 266 CB HIS A 17 6.711 -16.493 7.333 1.00 0.00 C ATOM 267 CG HIS A 17 7.929 -17.050 8.031 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.221 -16.782 7.614 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.037 -17.861 9.123 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.060 -17.410 8.424 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.325 -18.078 9.358 1.00 0.00 N ATOM 0 H HIS A 17 5.092 -15.401 5.777 1.00 0.00 H new ATOM 0 HA HIS A 17 7.685 -16.604 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.675 -15.415 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.817 -16.913 7.794 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.214 -18.259 9.698 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.138 -17.395 8.356 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.703 -18.650 10.113 1.00 0.00 H new ATOM 279 N SER A 18 5.025 -18.426 5.223 1.00 0.00 N ATOM 280 CA SER A 18 4.532 -19.753 4.897 1.00 0.00 C ATOM 281 C SER A 18 5.009 -20.162 3.503 1.00 0.00 C ATOM 282 O SER A 18 5.119 -21.350 3.203 1.00 0.00 O ATOM 283 CB SER A 18 3.004 -19.806 4.972 1.00 0.00 C ATOM 284 OG SER A 18 2.498 -21.094 4.630 1.00 0.00 O ATOM 0 H SER A 18 4.316 -17.693 5.211 1.00 0.00 H new ATOM 0 HA SER A 18 4.930 -20.455 5.630 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.681 -19.545 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.582 -19.060 4.299 1.00 0.00 H new ATOM 0 HG SER A 18 1.520 -21.088 4.691 1.00 0.00 H new ATOM 290 N ALA A 19 5.281 -19.154 2.686 1.00 0.00 N ATOM 291 CA ALA A 19 5.744 -19.394 1.330 1.00 0.00 C ATOM 292 C ALA A 19 7.274 -19.425 1.316 1.00 0.00 C ATOM 293 O ALA A 19 7.876 -20.184 0.558 1.00 0.00 O ATOM 294 CB ALA A 19 5.175 -18.322 0.399 1.00 0.00 C ATOM 0 H ALA A 19 5.189 -18.170 2.938 1.00 0.00 H new ATOM 0 HA ALA A 19 5.391 -20.360 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.522 -18.502 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.086 -18.360 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.511 -17.339 0.728 1.00 0.00 H new ATOM 300 N ASN A 20 7.858 -18.591 2.164 1.00 0.00 N ATOM 301 CA ASN A 20 9.306 -18.514 2.259 1.00 0.00 C ATOM 302 C ASN A 20 9.712 -18.414 3.730 1.00 0.00 C ATOM 303 O ASN A 20 9.373 -17.468 4.438 1.00 0.00 O ATOM 304 CB ASN A 20 9.840 -17.276 1.536 1.00 0.00 C ATOM 305 CG ASN A 20 11.135 -17.595 0.785 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.274 -17.343 -0.400 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.072 -18.162 1.540 1.00 0.00 N ATOM 0 H ASN A 20 7.355 -17.963 2.791 1.00 0.00 H new ATOM 0 HA ASN A 20 9.722 -19.409 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.090 -16.908 0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.021 -16.479 2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.973 -18.413 1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.890 -18.346 2.527 1.00 0.00 H new ATOM 314 N PRO A 21 10.457 -19.426 4.181 1.00 0.00 N ATOM 315 CA PRO A 21 10.952 -19.535 5.536 1.00 0.00 C ATOM 316 C PRO A 21 12.189 -18.664 5.699 1.00 0.00 C ATOM 317 O PRO A 21 13.142 -19.099 6.344 1.00 0.00 O ATOM 318 CB PRO A 21 11.296 -21.012 5.710 1.00 0.00 C ATOM 319 CG PRO A 21 11.723 -21.413 4.311 1.00 0.00 C ATOM 320 CD PRO A 21 10.874 -20.554 3.376 1.00 0.00 C ATOM 0 HA PRO A 21 10.228 -19.202 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.095 -21.160 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.439 -21.591 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.787 -21.232 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.552 -22.475 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.448 -20.229 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.015 -21.110 3.000 1.00 0.00 H new ATOM 328 N MET A 22 12.157 -17.472 5.121 1.00 0.00 N ATOM 329 CA MET A 22 13.287 -16.564 5.215 1.00 0.00 C ATOM 330 C MET A 22 12.816 -15.115 5.360 1.00 0.00 C ATOM 331 O MET A 22 13.419 -14.177 4.844 1.00 0.00 O ATOM 332 CB MET A 22 14.153 -16.695 3.960 1.00 0.00 C ATOM 333 CG MET A 22 14.512 -18.159 3.693 1.00 0.00 C ATOM 334 SD MET A 22 16.194 -18.278 3.108 1.00 0.00 S ATOM 335 CE MET A 22 16.971 -18.999 4.544 1.00 0.00 C ATOM 0 H MET A 22 11.366 -17.114 4.586 1.00 0.00 H new ATOM 0 HA MET A 22 13.868 -16.828 6.098 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.621 -16.285 3.102 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.064 -16.109 4.080 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.393 -18.743 4.605 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.831 -18.580 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.034 -19.142 4.349 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.845 -18.334 5.398 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.509 -19.962 4.763 1.00 0.00 H new ATOM 345 N TYR A 23 11.708 -14.953 6.087 1.00 0.00 N ATOM 346 CA TYR A 23 11.133 -13.643 6.318 1.00 0.00 C ATOM 347 C TYR A 23 10.432 -13.618 7.668 1.00 0.00 C ATOM 348 O TYR A 23 9.475 -14.368 7.856 1.00 0.00 O ATOM 349 CB TYR A 23 10.154 -13.314 5.194 1.00 0.00 C ATOM 350 CG TYR A 23 9.559 -11.931 5.299 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.383 -10.804 5.193 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.182 -11.774 5.501 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.832 -9.521 5.291 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.630 -10.491 5.599 1.00 0.00 C ATOM 355 CZ TYR A 23 8.455 -9.365 5.493 1.00 0.00 C ATOM 356 OH TYR A 23 7.917 -8.115 5.589 1.00 0.00 O ATOM 0 H TYR A 23 11.196 -15.720 6.523 1.00 0.00 H new ATOM 0 HA TYR A 23 11.922 -12.891 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.667 -13.408 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.349 -14.049 5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.445 -10.925 5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.546 -12.643 5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.468 -8.652 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.568 -10.370 5.756 1.00 0.00 H new ATOM 0 HH TYR A 23 6.949 -8.185 5.727 1.00 0.00 H new ATOM 366 N GLU A 24 10.910 -12.772 8.569 1.00 0.00 N ATOM 367 CA GLU A 24 10.313 -12.669 9.890 1.00 0.00 C ATOM 368 C GLU A 24 9.326 -11.501 9.937 1.00 0.00 C ATOM 369 O GLU A 24 8.208 -11.648 10.428 1.00 0.00 O ATOM 370 CB GLU A 24 11.389 -12.521 10.968 1.00 0.00 C ATOM 371 CG GLU A 24 12.123 -13.844 11.195 1.00 0.00 C ATOM 372 CD GLU A 24 11.674 -14.503 12.501 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.457 -13.747 13.472 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.557 -15.748 12.498 1.00 0.00 O ATOM 0 H GLU A 24 11.704 -12.152 8.410 1.00 0.00 H new ATOM 0 HA GLU A 24 9.766 -13.590 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.102 -11.752 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.932 -12.190 11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.933 -14.518 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.198 -13.667 11.224 1.00 0.00 H new ATOM 381 N ALA A 25 9.775 -10.367 9.419 1.00 0.00 N ATOM 382 CA ALA A 25 8.945 -9.175 9.396 1.00 0.00 C ATOM 383 C ALA A 25 9.580 -8.134 8.472 1.00 0.00 C ATOM 384 O ALA A 25 10.665 -8.322 7.927 1.00 0.00 O ATOM 385 CB ALA A 25 8.760 -8.653 10.822 1.00 0.00 C ATOM 0 H ALA A 25 10.703 -10.249 9.012 1.00 0.00 H new ATOM 0 HA ALA A 25 7.955 -9.405 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.137 -7.759 10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.278 -9.419 11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.733 -8.409 11.249 1.00 0.00 H new ATOM 391 N PRO A 26 8.870 -7.016 8.308 1.00 0.00 N ATOM 392 CA PRO A 26 9.281 -5.902 7.482 1.00 0.00 C ATOM 393 C PRO A 26 10.443 -5.176 8.144 1.00 0.00 C ATOM 394 O PRO A 26 10.972 -5.681 9.134 1.00 0.00 O ATOM 395 CB PRO A 26 8.050 -5.001 7.397 1.00 0.00 C ATOM 396 CG PRO A 26 6.839 -5.869 7.949 1.00 0.00 C ATOM 397 CD PRO A 26 7.590 -6.762 8.935 1.00 0.00 C ATOM 0 HA PRO A 26 9.620 -6.211 6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.185 -4.097 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.868 -4.684 6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.076 -5.261 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.341 -6.439 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.713 -6.269 9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.049 -7.690 9.118 1.00 0.00 H new ATOM 405 N SER A 27 10.815 -4.027 7.599 1.00 0.00 N ATOM 406 CA SER A 27 11.915 -3.257 8.153 1.00 0.00 C ATOM 407 C SER A 27 11.768 -1.783 7.767 1.00 0.00 C ATOM 408 O SER A 27 12.753 -1.048 7.726 1.00 0.00 O ATOM 409 CB SER A 27 13.263 -3.799 7.675 1.00 0.00 C ATOM 410 OG SER A 27 14.123 -4.125 8.764 1.00 0.00 O ATOM 0 H SER A 27 10.374 -3.611 6.779 1.00 0.00 H new ATOM 0 HA SER A 27 11.883 -3.347 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.101 -4.686 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.747 -3.058 7.040 1.00 0.00 H new ATOM 0 HG SER A 27 14.973 -4.469 8.418 1.00 0.00 H new ATOM 416 N ILE A 28 10.531 -1.396 7.495 1.00 0.00 N ATOM 417 CA ILE A 28 10.242 -0.024 7.114 1.00 0.00 C ATOM 418 C ILE A 28 11.309 0.462 6.130 1.00 0.00 C ATOM 419 O ILE A 28 11.877 1.539 6.308 1.00 0.00 O ATOM 420 CB ILE A 28 10.102 0.859 8.356 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.349 0.766 9.238 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.826 0.519 9.129 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.310 1.811 10.354 1.00 0.00 C ATOM 0 H ILE A 28 9.717 -2.009 7.531 1.00 0.00 H new ATOM 0 HA ILE A 28 9.283 0.035 6.600 1.00 0.00 H new ATOM 0 HB ILE A 28 10.015 1.896 8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.419 -0.232 9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.241 0.912 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.751 1.161 10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.959 0.678 8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.858 -0.524 9.444 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.208 1.723 10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.265 2.809 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.430 1.647 10.975 1.00 0.00 H new ATOM 435 N THR A 29 11.548 -0.354 5.115 1.00 0.00 N ATOM 436 CA THR A 29 12.537 -0.020 4.103 1.00 0.00 C ATOM 437 C THR A 29 11.951 -0.211 2.703 1.00 0.00 C ATOM 438 O THR A 29 12.015 0.693 1.871 1.00 0.00 O ATOM 439 CB THR A 29 13.783 -0.869 4.362 1.00 0.00 C ATOM 440 OG1 THR A 29 14.286 -0.378 5.601 1.00 0.00 O ATOM 441 CG2 THR A 29 14.905 -0.581 3.363 1.00 0.00 C ATOM 0 H THR A 29 11.074 -1.246 4.971 1.00 0.00 H new ATOM 0 HA THR A 29 12.824 1.030 4.161 1.00 0.00 H new ATOM 0 HB THR A 29 13.519 -1.925 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.784 -0.780 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.766 -1.210 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.557 -0.796 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.193 0.468 3.432 1.00 0.00 H new ATOM 449 N ASP A 30 11.395 -1.393 2.484 1.00 0.00 N ATOM 450 CA ASP A 30 10.799 -1.714 1.199 1.00 0.00 C ATOM 451 C ASP A 30 9.729 -0.672 0.863 1.00 0.00 C ATOM 452 O ASP A 30 9.597 -0.262 -0.289 1.00 0.00 O ATOM 453 CB ASP A 30 10.127 -3.088 1.231 1.00 0.00 C ATOM 454 CG ASP A 30 10.487 -4.011 0.065 1.00 0.00 C ATOM 455 OD1 ASP A 30 10.904 -3.468 -0.981 1.00 0.00 O ATOM 456 OD2 ASP A 30 10.337 -5.239 0.246 1.00 0.00 O ATOM 0 H ASP A 30 11.345 -2.141 3.176 1.00 0.00 H new ATOM 0 HA ASP A 30 11.592 -1.718 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.394 -3.585 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.046 -2.947 1.243 1.00 0.00 H new ATOM 461 N GLY A 31 8.993 -0.274 1.891 1.00 0.00 N ATOM 462 CA GLY A 31 7.940 0.711 1.719 1.00 0.00 C ATOM 463 C GLY A 31 8.526 2.103 1.470 1.00 0.00 C ATOM 464 O GLY A 31 8.255 3.038 2.221 1.00 0.00 O ATOM 0 H GLY A 31 9.106 -0.616 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.303 0.425 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.308 0.732 2.607 1.00 0.00 H new ATOM 468 N LYS A 32 9.318 2.195 0.411 1.00 0.00 N ATOM 469 CA LYS A 32 9.944 3.456 0.053 1.00 0.00 C ATOM 470 C LYS A 32 10.235 3.467 -1.449 1.00 0.00 C ATOM 471 O LYS A 32 9.683 4.283 -2.186 1.00 0.00 O ATOM 472 CB LYS A 32 11.179 3.706 0.921 1.00 0.00 C ATOM 473 CG LYS A 32 11.027 4.994 1.732 1.00 0.00 C ATOM 474 CD LYS A 32 11.094 6.225 0.825 1.00 0.00 C ATOM 475 CE LYS A 32 9.891 7.141 1.055 1.00 0.00 C ATOM 476 NZ LYS A 32 10.241 8.545 0.743 1.00 0.00 N ATOM 0 H LYS A 32 9.540 1.417 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 32 9.269 4.288 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.331 2.863 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.065 3.772 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.076 4.982 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.814 5.049 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.016 6.774 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.123 5.911 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.058 6.820 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.561 7.064 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.413 9.153 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.022 8.853 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.534 8.617 -0.252 1.00 0.00 H new ATOM 490 N ILE A 33 11.102 2.552 -1.858 1.00 0.00 N ATOM 491 CA ILE A 33 11.473 2.447 -3.259 1.00 0.00 C ATOM 492 C ILE A 33 10.361 1.726 -4.024 1.00 0.00 C ATOM 493 O ILE A 33 9.987 2.141 -5.120 1.00 0.00 O ATOM 494 CB ILE A 33 12.845 1.785 -3.401 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.922 2.595 -2.677 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.193 1.556 -4.874 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.092 1.702 -2.259 1.00 0.00 C ATOM 0 H ILE A 33 11.558 1.877 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 33 11.575 3.438 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 33 12.803 0.806 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.282 3.391 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.492 3.073 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.173 1.084 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.444 0.908 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.211 2.512 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.843 2.303 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.732 0.921 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.535 1.245 -3.144 1.00 0.00 H new ATOM 509 N PHE A 34 9.863 0.660 -3.416 1.00 0.00 N ATOM 510 CA PHE A 34 8.801 -0.123 -4.026 1.00 0.00 C ATOM 511 C PHE A 34 7.581 0.750 -4.327 1.00 0.00 C ATOM 512 O PHE A 34 6.762 0.406 -5.177 1.00 0.00 O ATOM 513 CB PHE A 34 8.405 -1.202 -3.017 1.00 0.00 C ATOM 514 CG PHE A 34 7.088 -1.908 -3.347 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.978 -2.645 -4.485 1.00 0.00 C ATOM 516 CD2 PHE A 34 6.028 -1.800 -2.501 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.756 -3.300 -4.791 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.806 -2.455 -2.807 1.00 0.00 C ATOM 519 CZ PHE A 34 4.696 -3.192 -3.945 1.00 0.00 C ATOM 0 H PHE A 34 10.175 0.319 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 34 9.148 -0.553 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.201 -1.945 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.325 -0.749 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.820 -2.732 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.116 -1.216 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.668 -3.884 -5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.964 -2.368 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.767 -3.692 -4.177 1.00 0.00 H new ATOM 529 N PHE A 35 7.499 1.863 -3.612 1.00 0.00 N ATOM 530 CA PHE A 35 6.393 2.788 -3.792 1.00 0.00 C ATOM 531 C PHE A 35 6.848 4.051 -4.526 1.00 0.00 C ATOM 532 O PHE A 35 6.084 5.006 -4.657 1.00 0.00 O ATOM 533 CB PHE A 35 5.900 3.173 -2.396 1.00 0.00 C ATOM 534 CG PHE A 35 4.781 4.216 -2.397 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.521 3.862 -2.765 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.047 5.498 -2.029 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.482 4.831 -2.766 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.008 6.467 -2.030 1.00 0.00 C ATOM 539 CZ PHE A 35 2.748 6.113 -2.399 1.00 0.00 C ATOM 0 H PHE A 35 8.180 2.145 -2.907 1.00 0.00 H new ATOM 0 HA PHE A 35 5.608 2.319 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.547 2.276 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.741 3.557 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.310 2.844 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.048 5.779 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.481 4.549 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.219 7.485 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.959 6.850 -2.401 1.00 0.00 H new ATOM 549 N ASN A 36 8.090 4.015 -4.985 1.00 0.00 N ATOM 550 CA ASN A 36 8.656 5.145 -5.702 1.00 0.00 C ATOM 551 C ASN A 36 9.569 4.631 -6.817 1.00 0.00 C ATOM 552 O ASN A 36 10.506 5.317 -7.222 1.00 0.00 O ATOM 553 CB ASN A 36 9.494 6.024 -4.772 1.00 0.00 C ATOM 554 CG ASN A 36 8.616 7.037 -4.036 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.659 8.231 -4.284 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.819 6.497 -3.118 1.00 0.00 N ATOM 0 H ASN A 36 8.721 3.221 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 36 7.833 5.733 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.018 5.399 -4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.255 6.549 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.195 7.091 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.832 5.489 -2.960 1.00 0.00 H new ATOM 563 N ARG A 37 9.264 3.428 -7.280 1.00 0.00 N ATOM 564 CA ARG A 37 10.046 2.814 -8.340 1.00 0.00 C ATOM 565 C ARG A 37 9.291 2.890 -9.669 1.00 0.00 C ATOM 566 O ARG A 37 8.476 2.021 -9.976 1.00 0.00 O ATOM 567 CB ARG A 37 10.353 1.350 -8.020 1.00 0.00 C ATOM 568 CG ARG A 37 11.392 0.783 -8.990 1.00 0.00 C ATOM 569 CD ARG A 37 12.809 0.961 -8.441 1.00 0.00 C ATOM 570 NE ARG A 37 13.304 2.321 -8.750 1.00 0.00 N ATOM 571 CZ ARG A 37 13.711 2.715 -9.964 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.685 1.855 -10.991 1.00 0.00 N ATOM 573 NH2 ARG A 37 14.145 3.969 -10.152 1.00 0.00 N ATOM 0 H ARG A 37 8.486 2.862 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 37 10.985 3.362 -8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.721 1.267 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.437 0.762 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.195 -0.275 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.306 1.284 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.813 0.800 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.473 0.215 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 37 13.337 3.001 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.355 0.900 -10.849 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.995 2.155 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.166 4.624 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.455 4.268 -11.077 1.00 0.00 H new ATOM 587 N LYS A 38 9.589 3.939 -10.422 1.00 0.00 N ATOM 588 CA LYS A 38 8.948 4.140 -11.711 1.00 0.00 C ATOM 589 C LYS A 38 8.981 2.831 -12.502 1.00 0.00 C ATOM 590 O LYS A 38 9.962 2.539 -13.185 1.00 0.00 O ATOM 591 CB LYS A 38 9.586 5.320 -12.448 1.00 0.00 C ATOM 592 CG LYS A 38 9.096 5.393 -13.895 1.00 0.00 C ATOM 593 CD LYS A 38 10.256 5.670 -14.854 1.00 0.00 C ATOM 594 CE LYS A 38 11.286 4.540 -14.808 1.00 0.00 C ATOM 595 NZ LYS A 38 12.625 5.045 -15.186 1.00 0.00 N ATOM 0 H LYS A 38 10.265 4.658 -10.165 1.00 0.00 H new ATOM 0 HA LYS A 38 7.899 4.406 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.345 6.249 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.671 5.219 -12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.611 4.455 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.346 6.178 -13.989 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.875 5.779 -15.869 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.734 6.613 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.321 4.113 -13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.988 3.740 -15.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.313 4.266 -15.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.590 5.432 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.914 5.793 -14.523 1.00 0.00 H new ATOM 609 N PHE A 39 7.898 2.078 -12.385 1.00 0.00 N ATOM 610 CA PHE A 39 7.790 0.807 -13.080 1.00 0.00 C ATOM 611 C PHE A 39 6.920 0.939 -14.332 1.00 0.00 C ATOM 612 O PHE A 39 6.180 1.910 -14.478 1.00 0.00 O ATOM 613 CB PHE A 39 7.128 -0.177 -12.114 1.00 0.00 C ATOM 614 CG PHE A 39 5.782 0.301 -11.565 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.662 0.205 -12.331 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.705 0.823 -10.312 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.413 0.648 -11.822 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.456 1.266 -9.802 1.00 0.00 C ATOM 619 CZ PHE A 39 3.336 1.169 -10.568 1.00 0.00 C ATOM 0 H PHE A 39 7.086 2.324 -11.818 1.00 0.00 H new ATOM 0 HA PHE A 39 8.778 0.468 -13.391 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.983 -1.129 -12.624 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.804 -0.362 -11.279 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.723 -0.208 -13.327 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.594 0.901 -9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.524 0.571 -12.430 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.395 1.680 -8.806 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.386 1.506 -10.180 1.00 0.00 H new ATOM 629 N LYS A 40 7.039 -0.052 -15.203 1.00 0.00 N ATOM 630 CA LYS A 40 6.273 -0.059 -16.438 1.00 0.00 C ATOM 631 C LYS A 40 5.249 -1.195 -16.391 1.00 0.00 C ATOM 632 O LYS A 40 5.577 -2.316 -16.006 1.00 0.00 O ATOM 633 CB LYS A 40 7.206 -0.122 -17.648 1.00 0.00 C ATOM 634 CG LYS A 40 7.701 -1.550 -17.885 1.00 0.00 C ATOM 635 CD LYS A 40 6.995 -2.183 -19.086 1.00 0.00 C ATOM 636 CE LYS A 40 7.722 -1.846 -20.389 1.00 0.00 C ATOM 637 NZ LYS A 40 8.233 -3.078 -21.031 1.00 0.00 N ATOM 0 H LYS A 40 7.654 -0.856 -15.078 1.00 0.00 H new ATOM 0 HA LYS A 40 5.714 0.871 -16.545 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.683 0.237 -18.534 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.057 0.540 -17.490 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.778 -1.542 -18.054 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.523 -2.153 -16.995 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.952 -3.265 -18.959 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.966 -1.827 -19.137 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.043 -1.330 -21.068 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.549 -1.165 -20.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.724 -2.831 -21.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.897 -3.555 -20.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.438 -3.714 -21.243 1.00 0.00 H new ATOM 651 N THR A 41 4.029 -0.866 -16.789 1.00 0.00 N ATOM 652 CA THR A 41 2.955 -1.845 -16.797 1.00 0.00 C ATOM 653 C THR A 41 2.994 -2.668 -18.086 1.00 0.00 C ATOM 654 O THR A 41 3.491 -2.234 -19.123 1.00 0.00 O ATOM 655 CB THR A 41 1.634 -1.100 -16.592 1.00 0.00 C ATOM 656 OG1 THR A 41 1.421 -0.424 -17.828 1.00 0.00 O ATOM 657 CG2 THR A 41 1.752 0.029 -15.565 1.00 0.00 C ATOM 0 H THR A 41 3.760 0.065 -17.108 1.00 0.00 H new ATOM 0 HA THR A 41 3.069 -2.564 -15.985 1.00 0.00 H new ATOM 0 HB THR A 41 0.866 -1.804 -16.271 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.963 0.392 -17.852 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.787 0.525 -15.457 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.057 -0.384 -14.604 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.496 0.751 -15.902 1.00 0.00 H new ATOM 665 N PRO A 42 2.449 -3.884 -17.996 1.00 0.00 N ATOM 666 CA PRO A 42 2.376 -4.828 -19.089 1.00 0.00 C ATOM 667 C PRO A 42 1.482 -4.270 -20.187 1.00 0.00 C ATOM 668 O PRO A 42 1.388 -4.886 -21.247 1.00 0.00 O ATOM 669 CB PRO A 42 1.770 -6.089 -18.478 1.00 0.00 C ATOM 670 CG PRO A 42 0.903 -5.515 -17.279 1.00 0.00 C ATOM 671 CD PRO A 42 1.855 -4.425 -16.792 1.00 0.00 C ATOM 0 HA PRO A 42 3.347 -5.029 -19.541 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.157 -6.633 -19.197 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.538 -6.779 -18.128 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.058 -5.118 -17.607 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.695 -6.264 -16.515 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.322 -3.655 -16.234 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.615 -4.833 -16.125 1.00 0.00 H new ATOM 679 N SER A 43 0.851 -3.136 -19.920 1.00 0.00 N ATOM 680 CA SER A 43 -0.027 -2.519 -20.899 1.00 0.00 C ATOM 681 C SER A 43 0.715 -1.408 -21.643 1.00 0.00 C ATOM 682 O SER A 43 0.110 -0.649 -22.398 1.00 0.00 O ATOM 683 CB SER A 43 -1.288 -1.962 -20.234 1.00 0.00 C ATOM 684 OG SER A 43 -1.127 -0.603 -19.838 1.00 0.00 O ATOM 0 H SER A 43 0.931 -2.628 -19.039 1.00 0.00 H new ATOM 0 HA SER A 43 -0.332 -3.284 -21.613 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.127 -2.041 -20.925 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.535 -2.567 -19.362 1.00 0.00 H new ATOM 0 HG SER A 43 -0.363 -0.528 -19.229 1.00 0.00 H new ATOM 690 N GLY A 44 2.017 -1.346 -21.403 1.00 0.00 N ATOM 691 CA GLY A 44 2.849 -0.340 -22.040 1.00 0.00 C ATOM 692 C GLY A 44 2.509 1.060 -21.524 1.00 0.00 C ATOM 693 O GLY A 44 1.859 1.840 -22.218 1.00 0.00 O ATOM 0 H GLY A 44 2.516 -1.977 -20.776 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.900 -0.557 -21.848 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.708 -0.377 -23.120 1.00 0.00 H new ATOM 697 N LYS A 45 2.964 1.335 -20.311 1.00 0.00 N ATOM 698 CA LYS A 45 2.717 2.627 -19.694 1.00 0.00 C ATOM 699 C LYS A 45 3.548 2.744 -18.414 1.00 0.00 C ATOM 700 O LYS A 45 3.619 1.801 -17.628 1.00 0.00 O ATOM 701 CB LYS A 45 1.217 2.838 -19.475 1.00 0.00 C ATOM 702 CG LYS A 45 0.877 4.328 -19.410 1.00 0.00 C ATOM 703 CD LYS A 45 -0.584 4.573 -19.793 1.00 0.00 C ATOM 704 CE LYS A 45 -1.480 4.599 -18.553 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.306 5.827 -18.535 1.00 0.00 N ATOM 0 H LYS A 45 3.503 0.685 -19.738 1.00 0.00 H new ATOM 0 HA LYS A 45 3.036 3.432 -20.356 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.658 2.369 -20.285 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.909 2.350 -18.550 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.061 4.703 -18.403 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.531 4.884 -20.082 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.670 5.519 -20.328 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.921 3.791 -20.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.125 3.720 -18.545 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.867 4.553 -17.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.908 5.828 -17.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.686 6.662 -18.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.905 5.855 -19.385 1.00 0.00 H new ATOM 719 N GLU A 46 4.154 3.909 -18.245 1.00 0.00 N ATOM 720 CA GLU A 46 4.977 4.162 -17.075 1.00 0.00 C ATOM 721 C GLU A 46 4.134 4.774 -15.955 1.00 0.00 C ATOM 722 O GLU A 46 3.517 5.822 -16.139 1.00 0.00 O ATOM 723 CB GLU A 46 6.164 5.063 -17.423 1.00 0.00 C ATOM 724 CG GLU A 46 7.374 4.741 -16.543 1.00 0.00 C ATOM 725 CD GLU A 46 7.681 3.242 -16.561 1.00 0.00 C ATOM 726 OE1 GLU A 46 7.304 2.598 -17.564 1.00 0.00 O ATOM 727 OE2 GLU A 46 8.285 2.775 -15.572 1.00 0.00 O ATOM 0 H GLU A 46 4.092 4.689 -18.899 1.00 0.00 H new ATOM 0 HA GLU A 46 5.376 3.211 -16.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.428 4.933 -18.472 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.883 6.108 -17.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.242 5.298 -16.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.181 5.064 -15.520 1.00 0.00 H new ATOM 734 N ALA A 47 4.133 4.094 -14.818 1.00 0.00 N ATOM 735 CA ALA A 47 3.376 4.557 -13.668 1.00 0.00 C ATOM 736 C ALA A 47 4.205 4.352 -12.399 1.00 0.00 C ATOM 737 O ALA A 47 5.351 3.908 -12.467 1.00 0.00 O ATOM 738 CB ALA A 47 2.033 3.825 -13.612 1.00 0.00 C ATOM 0 H ALA A 47 4.645 3.225 -14.669 1.00 0.00 H new ATOM 0 HA ALA A 47 3.163 5.623 -13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.465 4.172 -12.749 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.470 4.028 -14.523 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.207 2.752 -13.524 1.00 0.00 H new ATOM 744 N ALA A 48 3.595 4.683 -11.271 1.00 0.00 N ATOM 745 CA ALA A 48 4.263 4.540 -9.989 1.00 0.00 C ATOM 746 C ALA A 48 3.235 4.683 -8.864 1.00 0.00 C ATOM 747 O ALA A 48 2.195 5.314 -9.046 1.00 0.00 O ATOM 748 CB ALA A 48 5.390 5.569 -9.882 1.00 0.00 C ATOM 0 H ALA A 48 2.645 5.050 -11.218 1.00 0.00 H new ATOM 0 HA ALA A 48 4.714 3.552 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.891 5.461 -8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.109 5.407 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.975 6.573 -9.964 1.00 0.00 H new ATOM 754 N CYS A 49 3.562 4.087 -7.727 1.00 0.00 N ATOM 755 CA CYS A 49 2.680 4.141 -6.574 1.00 0.00 C ATOM 756 C CYS A 49 2.659 5.578 -6.051 1.00 0.00 C ATOM 757 O CYS A 49 1.854 5.916 -5.185 1.00 0.00 O ATOM 758 CB CYS A 49 3.104 3.146 -5.491 1.00 0.00 C ATOM 759 SG CYS A 49 3.388 1.439 -6.086 1.00 0.00 S ATOM 0 H CYS A 49 4.425 3.564 -7.580 1.00 0.00 H new ATOM 0 HA CYS A 49 1.672 3.849 -6.870 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.018 3.509 -5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.336 3.123 -4.718 1.00 0.00 H new ATOM 0 HG CYS A 49 3.744 0.685 -5.088 1.00 0.00 H new ATOM 764 N ALA A 50 3.554 6.387 -6.600 1.00 0.00 N ATOM 765 CA ALA A 50 3.649 7.780 -6.200 1.00 0.00 C ATOM 766 C ALA A 50 3.078 8.665 -7.310 1.00 0.00 C ATOM 767 O ALA A 50 3.109 9.891 -7.210 1.00 0.00 O ATOM 768 CB ALA A 50 5.104 8.121 -5.874 1.00 0.00 C ATOM 0 H ALA A 50 4.220 6.104 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 50 3.063 7.960 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.174 9.167 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.453 7.486 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.723 7.954 -6.755 1.00 0.00 H new ATOM 774 N SER A 51 2.569 8.009 -8.342 1.00 0.00 N ATOM 775 CA SER A 51 1.992 8.720 -9.470 1.00 0.00 C ATOM 776 C SER A 51 0.541 9.097 -9.164 1.00 0.00 C ATOM 777 O SER A 51 -0.028 9.970 -9.817 1.00 0.00 O ATOM 778 CB SER A 51 2.064 7.880 -10.747 1.00 0.00 C ATOM 779 OG SER A 51 2.914 8.471 -11.727 1.00 0.00 O ATOM 0 H SER A 51 2.544 6.992 -8.421 1.00 0.00 H new ATOM 0 HA SER A 51 2.571 9.629 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.429 6.882 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.062 7.761 -11.160 1.00 0.00 H new ATOM 0 HG SER A 51 2.935 7.904 -12.526 1.00 0.00 H new ATOM 785 N CYS A 52 -0.016 8.420 -8.171 1.00 0.00 N ATOM 786 CA CYS A 52 -1.389 8.673 -7.770 1.00 0.00 C ATOM 787 C CYS A 52 -1.403 8.991 -6.274 1.00 0.00 C ATOM 788 O CYS A 52 -2.041 9.946 -5.838 1.00 0.00 O ATOM 789 CB CYS A 52 -2.304 7.495 -8.111 1.00 0.00 C ATOM 790 SG CYS A 52 -2.636 7.461 -9.911 1.00 0.00 S ATOM 0 H CYS A 52 0.459 7.696 -7.632 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.781 9.526 -8.325 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.837 6.560 -7.801 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.241 7.581 -7.561 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.412 6.456 -10.190 1.00 0.00 H new ATOM 795 N HIS A 53 -0.682 8.163 -5.515 1.00 0.00 N ATOM 796 CA HIS A 53 -0.575 8.308 -4.068 1.00 0.00 C ATOM 797 C HIS A 53 0.647 9.178 -3.721 1.00 0.00 C ATOM 798 O HIS A 53 1.103 9.176 -2.578 1.00 0.00 O ATOM 799 CB HIS A 53 -0.557 6.911 -3.429 1.00 0.00 C ATOM 800 CG HIS A 53 -1.666 5.966 -3.832 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.955 6.229 -3.599 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.632 4.745 -4.462 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.696 5.212 -4.066 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.929 4.268 -4.609 1.00 0.00 N ATOM 0 H HIS A 53 -0.157 7.373 -5.890 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.437 8.831 -3.654 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.396 6.439 -3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.589 7.032 -2.346 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.317 7.066 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.738 4.236 -4.791 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.773 5.165 -4.009 1.00 0.00 H new ATOM 812 N THR A 54 1.135 9.895 -4.722 1.00 0.00 N ATOM 813 CA THR A 54 2.286 10.761 -4.531 1.00 0.00 C ATOM 814 C THR A 54 3.425 9.993 -3.858 1.00 0.00 C ATOM 815 O THR A 54 3.227 8.880 -3.374 1.00 0.00 O ATOM 816 CB THR A 54 1.829 11.988 -3.740 1.00 0.00 C ATOM 817 OG1 THR A 54 1.224 11.442 -2.572 1.00 0.00 O ATOM 818 CG2 THR A 54 0.691 12.741 -4.433 1.00 0.00 C ATOM 0 H THR A 54 0.754 9.894 -5.668 1.00 0.00 H new ATOM 0 HA THR A 54 2.686 11.103 -5.485 1.00 0.00 H new ATOM 0 HB THR A 54 2.674 12.662 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.708 10.634 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.405 13.603 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.023 13.079 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.166 12.078 -4.549 1.00 0.00 H new ATOM 826 N ASN A 55 4.593 10.618 -3.848 1.00 0.00 N ATOM 827 CA ASN A 55 5.764 10.008 -3.241 1.00 0.00 C ATOM 828 C ASN A 55 5.421 9.560 -1.819 1.00 0.00 C ATOM 829 O ASN A 55 6.039 8.638 -1.289 1.00 0.00 O ATOM 830 CB ASN A 55 6.923 11.003 -3.157 1.00 0.00 C ATOM 831 CG ASN A 55 6.499 12.277 -2.422 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.461 12.339 -1.205 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.183 13.287 -3.229 1.00 0.00 N ATOM 0 H ASN A 55 4.754 11.541 -4.251 1.00 0.00 H new ATOM 0 HA ASN A 55 6.061 9.161 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.765 10.543 -2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.265 11.255 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.887 14.181 -2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.237 13.168 -4.241 1.00 0.00 H new ATOM 840 N ASN A 56 4.436 10.233 -1.242 1.00 0.00 N ATOM 841 CA ASN A 56 4.003 9.915 0.108 1.00 0.00 C ATOM 842 C ASN A 56 2.485 9.729 0.122 1.00 0.00 C ATOM 843 O ASN A 56 1.717 10.606 -0.268 1.00 0.00 O ATOM 844 CB ASN A 56 4.350 11.046 1.078 1.00 0.00 C ATOM 845 CG ASN A 56 4.717 10.493 2.457 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.364 9.467 2.591 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.270 11.228 3.471 1.00 0.00 N ATOM 0 H ASN A 56 3.926 10.997 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 56 4.513 9.003 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.183 11.627 0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.502 11.725 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.463 10.943 4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.734 12.076 3.289 1.00 0.00 H new ATOM 854 N PRO A 57 2.065 8.550 0.587 1.00 0.00 N ATOM 855 CA PRO A 57 0.675 8.163 0.691 1.00 0.00 C ATOM 856 C PRO A 57 -0.006 8.987 1.774 1.00 0.00 C ATOM 857 O PRO A 57 -1.159 9.375 1.589 1.00 0.00 O ATOM 858 CB PRO A 57 0.708 6.683 1.069 1.00 0.00 C ATOM 859 CG PRO A 57 2.020 6.499 1.753 1.00 0.00 C ATOM 860 CD PRO A 57 2.941 7.497 1.054 1.00 0.00 C ATOM 0 HA PRO A 57 0.119 8.329 -0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.122 6.423 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.628 6.047 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.946 6.704 2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.385 5.477 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.695 7.885 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.473 7.030 0.226 1.00 0.00 H new ATOM 868 N ALA A 58 0.703 9.236 2.865 1.00 0.00 N ATOM 869 CA ALA A 58 0.146 10.012 3.959 1.00 0.00 C ATOM 870 C ALA A 58 -0.239 11.402 3.448 1.00 0.00 C ATOM 871 O ALA A 58 -0.968 12.133 4.117 1.00 0.00 O ATOM 872 CB ALA A 58 1.155 10.072 5.108 1.00 0.00 C ATOM 0 H ALA A 58 1.659 8.914 3.015 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.758 9.540 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.737 10.654 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.373 9.062 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.075 10.543 4.760 1.00 0.00 H new ATOM 878 N ASN A 59 0.268 11.725 2.267 1.00 0.00 N ATOM 879 CA ASN A 59 -0.014 13.014 1.659 1.00 0.00 C ATOM 880 C ASN A 59 -1.225 12.882 0.733 1.00 0.00 C ATOM 881 O ASN A 59 -1.673 11.773 0.445 1.00 0.00 O ATOM 882 CB ASN A 59 1.171 13.498 0.821 1.00 0.00 C ATOM 883 CG ASN A 59 1.223 15.026 0.777 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.275 15.716 1.115 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.381 15.516 0.343 1.00 0.00 N ATOM 0 H ASN A 59 0.872 11.116 1.715 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.207 13.729 2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.100 13.111 1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.090 13.104 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.515 16.525 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.135 14.883 0.076 1.00 0.00 H new ATOM 892 N VAL A 60 -1.721 14.029 0.293 1.00 0.00 N ATOM 893 CA VAL A 60 -2.871 14.056 -0.594 1.00 0.00 C ATOM 894 C VAL A 60 -2.464 13.521 -1.968 1.00 0.00 C ATOM 895 O VAL A 60 -1.405 13.874 -2.486 1.00 0.00 O ATOM 896 CB VAL A 60 -3.454 15.470 -0.652 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.406 15.622 -1.840 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.153 15.829 0.661 1.00 0.00 C ATOM 0 H VAL A 60 -1.347 14.947 0.534 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.661 13.408 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.628 16.168 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.806 16.636 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.865 15.429 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.226 14.910 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.558 16.839 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.964 15.124 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.436 15.780 1.480 1.00 0.00 H new ATOM 908 N GLY A 61 -3.325 12.678 -2.518 1.00 0.00 N ATOM 909 CA GLY A 61 -3.067 12.090 -3.822 1.00 0.00 C ATOM 910 C GLY A 61 -4.016 12.662 -4.878 1.00 0.00 C ATOM 911 O GLY A 61 -4.840 13.524 -4.576 1.00 0.00 O ATOM 0 H GLY A 61 -4.202 12.388 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.034 12.282 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.187 11.008 -3.767 1.00 0.00 H new ATOM 915 N LYS A 62 -3.868 12.158 -6.095 1.00 0.00 N ATOM 916 CA LYS A 62 -4.701 12.608 -7.197 1.00 0.00 C ATOM 917 C LYS A 62 -4.746 11.521 -8.273 1.00 0.00 C ATOM 918 O LYS A 62 -3.721 10.924 -8.599 1.00 0.00 O ATOM 919 CB LYS A 62 -4.221 13.965 -7.713 1.00 0.00 C ATOM 920 CG LYS A 62 -4.998 14.384 -8.962 1.00 0.00 C ATOM 921 CD LYS A 62 -4.502 15.731 -9.492 1.00 0.00 C ATOM 922 CE LYS A 62 -4.855 16.863 -8.525 1.00 0.00 C ATOM 923 NZ LYS A 62 -5.947 17.695 -9.077 1.00 0.00 N ATOM 0 H LYS A 62 -3.184 11.443 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.725 12.766 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.344 14.718 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.157 13.915 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.889 13.623 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.061 14.450 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.422 15.694 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.947 15.929 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.157 16.447 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.976 17.481 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.174 18.458 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.646 18.107 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.790 17.105 -9.228 1.00 0.00 H new ATOM 937 N ASN A 63 -5.943 11.298 -8.795 1.00 0.00 N ATOM 938 CA ASN A 63 -6.134 10.294 -9.827 1.00 0.00 C ATOM 939 C ASN A 63 -5.870 10.921 -11.198 1.00 0.00 C ATOM 940 O ASN A 63 -6.402 11.986 -11.509 1.00 0.00 O ATOM 941 CB ASN A 63 -7.568 9.762 -9.819 1.00 0.00 C ATOM 942 CG ASN A 63 -7.775 8.761 -8.681 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.838 8.263 -8.079 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.052 8.495 -8.420 1.00 0.00 N ATOM 0 H ASN A 63 -6.790 11.796 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.444 9.474 -9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.267 10.591 -9.710 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.787 9.283 -10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.295 7.839 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.788 8.947 -8.962 1.00 0.00 H new ATOM 951 N ILE A 64 -5.050 10.235 -11.980 1.00 0.00 N ATOM 952 CA ILE A 64 -4.710 10.711 -13.309 1.00 0.00 C ATOM 953 C ILE A 64 -5.772 10.238 -14.304 1.00 0.00 C ATOM 954 O ILE A 64 -5.597 10.371 -15.514 1.00 0.00 O ATOM 955 CB ILE A 64 -3.287 10.290 -13.682 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.252 8.835 -14.155 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.320 10.538 -12.522 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.828 8.410 -14.517 1.00 0.00 C ATOM 0 H ILE A 64 -4.611 9.352 -11.718 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.712 11.801 -13.334 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.956 10.908 -14.516 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.641 8.185 -13.372 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.902 8.715 -15.021 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.316 10.230 -12.813 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.316 11.599 -12.272 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.638 9.962 -11.653 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.832 7.372 -14.850 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.451 9.046 -15.317 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.185 8.508 -13.642 1.00 0.00 H new ATOM 970 N VAL A 65 -6.849 9.694 -13.756 1.00 0.00 N ATOM 971 CA VAL A 65 -7.939 9.200 -14.580 1.00 0.00 C ATOM 972 C VAL A 65 -8.966 10.316 -14.783 1.00 0.00 C ATOM 973 O VAL A 65 -9.298 10.660 -15.916 1.00 0.00 O ATOM 974 CB VAL A 65 -8.540 7.941 -13.952 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.822 7.526 -14.676 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.524 6.798 -13.935 1.00 0.00 C ATOM 0 H VAL A 65 -6.990 9.585 -12.752 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.573 8.913 -15.566 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.799 8.173 -12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.229 6.629 -14.210 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.553 8.332 -14.612 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.599 7.322 -15.723 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.977 5.915 -13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.219 6.567 -14.956 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.651 7.096 -13.354 1.00 0.00 H new ATOM 986 N THR A 66 -9.440 10.851 -13.667 1.00 0.00 N ATOM 987 CA THR A 66 -10.422 11.920 -13.708 1.00 0.00 C ATOM 988 C THR A 66 -9.789 13.243 -13.271 1.00 0.00 C ATOM 989 O THR A 66 -10.160 14.306 -13.766 1.00 0.00 O ATOM 990 CB THR A 66 -11.613 11.502 -12.843 1.00 0.00 C ATOM 991 OG1 THR A 66 -11.044 11.268 -11.558 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.184 10.143 -13.251 1.00 0.00 C ATOM 0 H THR A 66 -9.162 10.563 -12.729 1.00 0.00 H new ATOM 0 HA THR A 66 -10.782 12.087 -14.723 1.00 0.00 H new ATOM 0 HB THR A 66 -12.394 12.259 -12.911 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.748 10.994 -10.934 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.027 9.894 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.520 10.186 -14.287 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.413 9.379 -13.151 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.844 13.134 -12.349 1.00 0.00 N ATOM 1001 CA GLY A 67 -8.155 14.307 -11.840 1.00 0.00 C ATOM 1002 C GLY A 67 -9.004 15.030 -10.792 1.00 0.00 C ATOM 1003 O GLY A 67 -8.980 16.257 -10.707 1.00 0.00 O ATOM 0 H GLY A 67 -8.539 12.250 -11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.202 14.011 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.930 14.986 -12.662 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.735 14.238 -10.021 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.590 14.787 -8.983 1.00 0.00 C ATOM 1009 C LYS A 68 -9.735 15.167 -7.772 1.00 0.00 C ATOM 1010 O LYS A 68 -9.205 16.275 -7.704 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.725 13.815 -8.653 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.884 13.971 -9.640 1.00 0.00 C ATOM 1013 CD LYS A 68 -14.011 14.809 -9.034 1.00 0.00 C ATOM 1014 CE LYS A 68 -15.280 14.718 -9.884 1.00 0.00 C ATOM 1015 NZ LYS A 68 -16.424 14.263 -9.061 1.00 0.00 N ATOM 0 H LYS A 68 -9.753 13.221 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.074 15.699 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.352 12.791 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.080 13.995 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.526 14.443 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.265 12.988 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.222 14.464 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.694 15.849 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.503 15.692 -10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.122 14.026 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.277 14.207 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.215 13.324 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.584 14.938 -8.286 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.627 14.226 -6.845 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.846 14.448 -5.641 1.00 0.00 C ATOM 1031 C GLU A 69 -8.868 13.199 -4.756 1.00 0.00 C ATOM 1032 O GLU A 69 -9.931 12.762 -4.319 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.355 15.671 -4.875 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.691 15.373 -4.191 1.00 0.00 C ATOM 1035 CD GLU A 69 -11.312 16.650 -3.623 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.575 17.377 -2.921 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -12.510 16.871 -3.902 1.00 0.00 O ATOM 0 H GLU A 69 -10.068 13.308 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.814 14.646 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.619 15.969 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.472 16.511 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.376 14.918 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.540 14.650 -3.389 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.681 12.660 -4.520 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.550 11.470 -3.696 1.00 0.00 C ATOM 1046 C ILE A 70 -6.905 11.848 -2.361 1.00 0.00 C ATOM 1047 O ILE A 70 -5.809 12.401 -2.299 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.798 10.374 -4.453 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.441 10.109 -5.816 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.692 9.101 -3.612 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.549 9.059 -5.704 1.00 0.00 C ATOM 0 H ILE A 70 -6.801 13.025 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.532 11.053 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.782 10.723 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.853 11.036 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.682 9.768 -6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.153 8.338 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.156 9.319 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.692 8.738 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.990 8.889 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.129 8.126 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.318 9.413 -5.018 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.621 11.533 -1.279 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.203 11.796 0.081 1.00 0.00 C ATOM 1065 C PRO A 71 -6.054 10.870 0.450 1.00 0.00 C ATOM 1066 O PRO A 71 -5.857 9.837 -0.186 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.437 11.504 0.933 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.213 10.519 0.136 1.00 0.00 C ATOM 1069 CD PRO A 71 -8.913 10.883 -1.316 1.00 0.00 C ATOM 0 HA PRO A 71 -6.848 12.816 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.161 11.098 1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.015 12.409 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.907 9.497 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.280 10.587 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.891 9.996 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.677 11.546 -1.723 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.293 11.242 1.482 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.159 10.489 1.973 1.00 0.00 C ATOM 1079 C PRO A 72 -4.532 9.017 2.080 1.00 0.00 C ATOM 1080 O PRO A 72 -5.567 8.708 2.670 1.00 0.00 O ATOM 1081 CB PRO A 72 -3.864 11.080 3.350 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.045 12.095 3.667 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.495 12.450 2.252 1.00 0.00 C ATOM 0 HA PRO A 72 -3.291 10.551 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.813 10.296 4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.901 11.591 3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.841 11.635 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.703 12.967 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.540 12.758 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.912 13.278 1.848 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.701 8.152 1.518 1.00 0.00 N ATOM 1092 CA LEU A 73 -3.966 6.724 1.562 1.00 0.00 C ATOM 1093 C LEU A 73 -3.646 6.193 2.961 1.00 0.00 C ATOM 1094 O LEU A 73 -4.255 5.226 3.416 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.209 6.004 0.443 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.783 4.655 0.006 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.628 4.032 1.119 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -4.567 4.790 -1.301 1.00 0.00 C ATOM 0 H LEU A 73 -2.844 8.412 1.030 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.022 6.527 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.174 6.661 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.180 5.851 0.768 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.952 3.976 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.024 3.074 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.009 3.878 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.454 4.699 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.964 3.817 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.390 5.491 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.906 5.159 -2.085 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.690 6.848 3.603 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.282 6.454 4.941 1.00 0.00 C ATOM 1112 C ALA A 74 -3.479 5.848 5.677 1.00 0.00 C ATOM 1113 O ALA A 74 -4.422 6.533 6.064 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.699 7.664 5.674 1.00 0.00 C ATOM 0 H ALA A 74 -2.186 7.649 3.222 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.503 5.693 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.393 7.369 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.834 8.039 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.454 8.447 5.741 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.417 4.527 5.863 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.435 3.749 6.535 1.00 0.00 C ATOM 1122 C PRO A 75 -4.281 3.899 8.042 1.00 0.00 C ATOM 1123 O PRO A 75 -4.363 2.897 8.750 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.179 2.308 6.099 1.00 0.00 C ATOM 1125 CG PRO A 75 -2.701 2.279 5.864 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.322 3.690 5.420 1.00 0.00 C ATOM 0 HA PRO A 75 -5.447 4.069 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.479 1.596 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.735 2.056 5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.166 1.998 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.441 1.546 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.379 4.005 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.196 3.743 4.339 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.064 5.124 8.497 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.902 5.376 9.919 1.00 0.00 C ATOM 1136 C ARG A 76 -4.227 6.836 10.240 1.00 0.00 C ATOM 1137 O ARG A 76 -5.063 7.115 11.099 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.474 5.068 10.373 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.369 5.079 11.899 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.145 5.874 12.359 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.380 7.323 12.165 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.957 8.119 13.075 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -2.361 7.612 14.248 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -2.130 9.421 12.812 1.00 0.00 N ATOM 0 H ARG A 76 -3.997 5.953 7.906 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.591 4.721 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.169 4.094 9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.788 5.804 9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.272 5.515 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.303 4.056 12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.941 5.668 13.410 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.265 5.561 11.796 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.084 7.741 11.283 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.229 6.620 14.448 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.800 8.218 14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.822 9.806 11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.569 10.027 13.505 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.550 7.729 9.534 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.757 9.154 9.733 1.00 0.00 C ATOM 1160 C VAL A 77 -5.251 9.427 9.914 1.00 0.00 C ATOM 1161 O VAL A 77 -5.642 10.208 10.781 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.141 9.939 8.573 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.717 11.355 8.503 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.616 9.972 8.681 1.00 0.00 C ATOM 0 H VAL A 77 -2.857 7.494 8.823 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.253 9.491 10.639 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.399 9.426 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.263 11.892 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.796 11.302 8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.503 11.881 9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.204 10.536 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.328 10.450 9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.228 8.954 8.658 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.045 8.770 9.082 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.488 8.933 9.140 1.00 0.00 C ATOM 1176 C ASN A 78 -8.101 7.747 9.887 1.00 0.00 C ATOM 1177 O ASN A 78 -7.525 6.661 9.915 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.095 8.972 7.736 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.181 9.720 6.764 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.154 10.266 7.133 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.610 9.715 5.505 1.00 0.00 N ATOM 0 H ASN A 78 -5.717 8.124 8.364 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.701 9.872 9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.258 7.955 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.070 9.458 7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.070 10.188 4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.479 9.238 5.264 1.00 0.00 H new ATOM 1188 N THR A 79 -9.262 7.996 10.476 1.00 0.00 N ATOM 1189 CA THR A 79 -9.960 6.963 11.222 1.00 0.00 C ATOM 1190 C THR A 79 -10.990 6.265 10.331 1.00 0.00 C ATOM 1191 O THR A 79 -11.737 5.405 10.795 1.00 0.00 O ATOM 1192 CB THR A 79 -10.571 7.609 12.466 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.095 8.846 11.993 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.514 8.020 13.492 1.00 0.00 C ATOM 0 H THR A 79 -9.737 8.899 10.451 1.00 0.00 H new ATOM 0 HA THR A 79 -9.275 6.180 11.548 1.00 0.00 H new ATOM 0 HB THR A 79 -11.273 6.915 12.927 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.512 9.330 12.736 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.002 8.473 14.355 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.955 7.140 13.811 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.831 8.740 13.042 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.996 6.661 9.066 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.922 6.084 8.106 1.00 0.00 C ATOM 1204 C LYS A 80 -11.134 5.329 7.034 1.00 0.00 C ATOM 1205 O LYS A 80 -11.356 5.526 5.841 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.849 7.163 7.542 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.063 7.371 8.449 1.00 0.00 C ATOM 1208 CD LYS A 80 -13.681 8.156 9.706 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.926 8.573 10.492 1.00 0.00 C ATOM 1210 NZ LYS A 80 -14.834 9.994 10.892 1.00 0.00 N ATOM 0 H LYS A 80 -10.375 7.374 8.684 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.573 5.359 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.302 8.100 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.181 6.877 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.841 7.906 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.480 6.404 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.035 7.546 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.110 9.041 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.817 8.417 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.031 7.946 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.687 10.261 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.995 10.133 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.756 10.589 10.043 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.229 4.480 7.499 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.406 3.694 6.595 1.00 0.00 C ATOM 1226 C ARG A 81 -9.222 2.277 7.141 1.00 0.00 C ATOM 1227 O ARG A 81 -9.355 2.049 8.342 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.033 4.339 6.398 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.146 5.635 5.592 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.029 5.358 4.091 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.157 6.623 3.333 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.317 7.263 3.130 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.455 6.761 3.628 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.338 8.405 2.429 1.00 0.00 N ATOM 0 H ARG A 81 -10.048 4.319 8.490 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.917 3.653 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.583 4.548 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.371 3.643 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.100 6.117 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.363 6.329 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.070 4.889 3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.804 4.658 3.780 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.310 7.033 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.439 5.892 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.338 7.248 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.471 8.787 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.221 8.892 2.274 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.920 1.361 6.232 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.717 -0.027 6.608 1.00 0.00 C ATOM 1250 C PHE A 82 -9.807 -0.499 7.573 1.00 0.00 C ATOM 1251 O PHE A 82 -9.507 -1.054 8.629 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.360 -0.107 7.310 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.183 -0.347 6.363 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.350 -0.207 5.021 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.969 -0.701 6.864 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.257 -0.429 4.142 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.876 -0.923 5.985 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.043 -0.783 4.643 1.00 0.00 C ATOM 0 H PHE A 82 -8.811 1.554 5.236 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.754 -0.661 5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.190 0.821 7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.390 -0.910 8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.314 0.073 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.836 -0.813 7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.390 -0.317 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.912 -1.203 6.383 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.212 -0.953 3.975 1.00 0.00 H new ATOM 1268 N THR A 83 -11.048 -0.262 7.175 1.00 0.00 N ATOM 1269 CA THR A 83 -12.183 -0.656 7.992 1.00 0.00 C ATOM 1270 C THR A 83 -12.498 -2.139 7.789 1.00 0.00 C ATOM 1271 O THR A 83 -12.426 -2.928 8.731 1.00 0.00 O ATOM 1272 CB THR A 83 -13.355 0.266 7.649 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.856 1.574 7.912 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.526 0.111 8.622 1.00 0.00 C ATOM 0 H THR A 83 -11.293 0.198 6.298 1.00 0.00 H new ATOM 0 HA THR A 83 -11.963 -0.545 9.054 1.00 0.00 H new ATOM 0 HB THR A 83 -13.696 0.058 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.552 2.235 7.714 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.331 0.787 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.888 -0.917 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.194 0.352 9.632 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.840 -2.475 6.554 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.165 -3.850 6.215 1.00 0.00 C ATOM 1284 C ASP A 84 -11.882 -4.598 5.847 1.00 0.00 C ATOM 1285 O ASP A 84 -11.445 -4.561 4.698 1.00 0.00 O ATOM 1286 CB ASP A 84 -14.109 -3.912 5.012 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.192 -2.832 4.984 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.666 -2.474 6.084 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.521 -2.388 3.863 1.00 0.00 O ATOM 0 H ASP A 84 -12.899 -1.819 5.776 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.650 -4.304 7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.517 -3.835 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.591 -4.889 4.998 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.314 -5.259 6.845 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.090 -6.014 6.642 1.00 0.00 C ATOM 1296 C ILE A 85 -10.358 -7.158 5.661 1.00 0.00 C ATOM 1297 O ILE A 85 -9.424 -7.785 5.163 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.516 -6.476 7.983 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.046 -6.877 7.841 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -10.361 -7.601 8.583 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.432 -7.203 9.204 1.00 0.00 C ATOM 0 H ILE A 85 -11.679 -5.287 7.797 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.323 -5.382 6.194 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.556 -5.638 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.964 -7.743 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.488 -6.067 7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.931 -7.911 9.536 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.379 -7.246 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.376 -8.449 7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.387 -7.485 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.494 -6.327 9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.977 -8.030 9.660 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.638 -7.395 5.415 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.041 -8.453 4.503 1.00 0.00 C ATOM 1315 C ASP A 86 -11.831 -7.984 3.062 1.00 0.00 C ATOM 1316 O ASP A 86 -10.994 -8.530 2.344 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.521 -8.796 4.678 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.885 -9.425 6.024 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.774 -8.701 7.037 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.265 -10.616 6.010 1.00 0.00 O ATOM 0 H ASP A 86 -12.409 -6.873 5.831 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.439 -9.335 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.107 -7.886 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.816 -9.480 3.883 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.605 -6.979 2.681 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.515 -6.431 1.338 1.00 0.00 C ATOM 1327 C LYS A 87 -11.348 -5.444 1.272 1.00 0.00 C ATOM 1328 O LYS A 87 -11.538 -4.274 0.945 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.855 -5.828 0.914 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.946 -6.899 0.859 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.573 -7.115 2.238 1.00 0.00 C ATOM 1332 CE LYS A 87 -17.049 -7.498 2.116 1.00 0.00 C ATOM 1333 NZ LYS A 87 -17.912 -6.399 2.605 1.00 0.00 N ATOM 0 H LYS A 87 -13.298 -6.529 3.279 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.306 -7.222 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.144 -5.045 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.753 -5.357 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.717 -6.602 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.523 -7.836 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.033 -7.899 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.478 -6.206 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.288 -7.721 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.244 -8.404 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.911 -6.675 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.695 -6.205 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.738 -5.543 2.040 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.166 -5.952 1.589 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.968 -5.130 1.569 1.00 0.00 C ATOM 1349 C VAL A 88 -7.802 -5.947 1.009 1.00 0.00 C ATOM 1350 O VAL A 88 -6.984 -5.429 0.251 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.692 -4.575 2.968 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.375 -5.122 3.524 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.691 -3.045 2.961 1.00 0.00 C ATOM 0 H VAL A 88 -10.012 -6.923 1.861 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.106 -4.270 0.913 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.497 -4.906 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.202 -4.712 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.429 -6.209 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.555 -4.835 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.493 -2.677 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.917 -2.685 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.663 -2.682 2.627 1.00 0.00 H new ATOM 1363 N GLU A 89 -7.764 -7.211 1.404 1.00 0.00 N ATOM 1364 CA GLU A 89 -6.712 -8.105 0.951 1.00 0.00 C ATOM 1365 C GLU A 89 -6.863 -8.387 -0.545 1.00 0.00 C ATOM 1366 O GLU A 89 -5.878 -8.396 -1.282 1.00 0.00 O ATOM 1367 CB GLU A 89 -6.712 -9.405 1.757 1.00 0.00 C ATOM 1368 CG GLU A 89 -5.560 -10.316 1.329 1.00 0.00 C ATOM 1369 CD GLU A 89 -5.992 -11.255 0.201 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -6.600 -12.296 0.532 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -5.706 -10.910 -0.965 1.00 0.00 O ATOM 0 H GLU A 89 -8.445 -7.637 2.033 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.752 -7.616 1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.625 -9.178 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.661 -9.923 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.716 -9.710 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.218 -10.901 2.183 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.105 -8.613 -0.950 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.398 -8.895 -2.344 1.00 0.00 C ATOM 1380 C ASP A 90 -8.174 -7.629 -3.174 1.00 0.00 C ATOM 1381 O ASP A 90 -7.549 -7.679 -4.232 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.855 -9.326 -2.525 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.293 -9.533 -3.976 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.780 -10.492 -4.592 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.131 -8.728 -4.436 1.00 0.00 O ATOM 0 H ASP A 90 -8.920 -8.606 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.740 -9.701 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.014 -10.255 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.500 -8.574 -2.071 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.697 -6.524 -2.663 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.562 -5.248 -3.343 1.00 0.00 C ATOM 1392 C GLU A 91 -7.086 -4.935 -3.597 1.00 0.00 C ATOM 1393 O GLU A 91 -6.760 -4.117 -4.456 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.230 -4.127 -2.545 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.749 -4.154 -2.727 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.189 -3.161 -3.805 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.149 -3.556 -4.990 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -11.556 -2.030 -3.420 1.00 0.00 O ATOM 0 H GLU A 91 -9.215 -6.487 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.070 -5.317 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.985 -4.232 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.839 -3.162 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.068 -5.159 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.237 -3.911 -1.783 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.233 -5.603 -2.835 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.799 -5.406 -2.966 1.00 0.00 C ATOM 1407 C PHE A 92 -4.231 -6.258 -4.103 1.00 0.00 C ATOM 1408 O PHE A 92 -3.174 -5.945 -4.649 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.164 -5.850 -1.646 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.524 -4.710 -0.851 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.613 -3.894 -1.445 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.865 -4.514 0.451 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.018 -2.837 -0.706 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.271 -3.457 1.190 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.360 -2.641 0.595 1.00 0.00 C ATOM 0 H PHE A 92 -6.507 -6.282 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.586 -4.361 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.926 -6.326 -1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.406 -6.605 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.342 -4.050 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.588 -5.163 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.294 -2.189 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.542 -3.301 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.908 -1.837 1.157 1.00 0.00 H new ATOM 1425 N THR A 93 -4.958 -7.318 -4.426 1.00 0.00 N ATOM 1426 CA THR A 93 -4.540 -8.217 -5.488 1.00 0.00 C ATOM 1427 C THR A 93 -5.153 -7.787 -6.823 1.00 0.00 C ATOM 1428 O THR A 93 -4.542 -7.964 -7.876 1.00 0.00 O ATOM 1429 CB THR A 93 -4.916 -9.642 -5.077 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.751 -10.132 -4.420 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.085 -10.573 -6.279 1.00 0.00 C ATOM 0 H THR A 93 -5.834 -7.574 -3.971 1.00 0.00 H new ATOM 0 HA THR A 93 -3.461 -8.180 -5.635 1.00 0.00 H new ATOM 0 HB THR A 93 -5.841 -9.621 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.698 -11.104 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.351 -11.571 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.874 -10.191 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.150 -10.621 -6.837 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.352 -7.232 -6.734 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.055 -6.776 -7.922 1.00 0.00 C ATOM 1441 C LYS A 94 -6.404 -5.489 -8.432 1.00 0.00 C ATOM 1442 O LYS A 94 -6.369 -5.234 -9.633 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.552 -6.638 -7.639 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.101 -7.896 -6.963 1.00 0.00 C ATOM 1445 CD LYS A 94 -9.995 -8.687 -7.920 1.00 0.00 C ATOM 1446 CE LYS A 94 -9.178 -9.706 -8.717 1.00 0.00 C ATOM 1447 NZ LYS A 94 -9.384 -11.070 -8.181 1.00 0.00 N ATOM 0 H LYS A 94 -6.855 -7.087 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.972 -7.513 -8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.727 -5.772 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.087 -6.459 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.275 -8.524 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.669 -7.618 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.773 -9.201 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.497 -8.003 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.470 -9.674 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.120 -9.447 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.822 -11.749 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.084 -11.101 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.391 -11.320 -8.246 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.898 -4.700 -7.483 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.239 -3.432 -7.777 1.00 0.00 C ATOM 1463 C HIS A 95 -3.935 -3.691 -8.553 1.00 0.00 C ATOM 1464 O HIS A 95 -3.737 -3.202 -9.663 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.050 -2.655 -6.466 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.675 -1.196 -6.589 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.701 -0.542 -7.754 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.263 -0.284 -5.647 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.319 0.728 -7.547 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.037 0.942 -6.262 1.00 0.00 N ATOM 0 H HIS A 95 -5.935 -4.925 -6.489 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.850 -2.806 -8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.976 -2.721 -5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.279 -3.156 -5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.135 -0.488 -4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.249 1.478 -8.321 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.725 1.811 -5.827 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.049 -4.476 -7.936 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.775 -4.816 -8.536 1.00 0.00 C ATOM 1480 C CYS A 96 -2.006 -5.456 -9.898 1.00 0.00 C ATOM 1481 O CYS A 96 -1.122 -5.371 -10.748 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.016 -5.766 -7.613 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.106 -4.786 -6.393 1.00 0.00 S ATOM 0 H CYS A 96 -3.201 -4.886 -7.015 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.179 -3.914 -8.675 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.710 -6.442 -7.113 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.328 -6.384 -8.190 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.165 -6.071 -10.078 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.482 -6.713 -11.343 1.00 0.00 C ATOM 1490 C ASN A 97 -3.892 -5.648 -12.362 1.00 0.00 C ATOM 1491 O ASN A 97 -3.965 -5.924 -13.558 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.648 -7.692 -11.187 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.172 -9.139 -11.328 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.678 -9.559 -12.361 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.348 -9.875 -10.234 1.00 0.00 N ATOM 0 H ASN A 97 -3.896 -6.139 -9.370 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.598 -7.256 -11.677 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.116 -7.553 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.408 -7.481 -11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.063 -10.854 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.768 -9.460 -9.402 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.149 -4.453 -11.850 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.550 -3.346 -12.701 1.00 0.00 C ATOM 1504 C ASP A 98 -3.514 -2.225 -12.593 1.00 0.00 C ATOM 1505 O ASP A 98 -3.709 -1.140 -13.138 1.00 0.00 O ATOM 1506 CB ASP A 98 -5.904 -2.780 -12.268 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.113 -3.366 -13.000 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.928 -4.416 -13.651 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.195 -2.750 -12.891 1.00 0.00 O ATOM 0 H ASP A 98 -4.087 -4.228 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.624 -3.717 -13.723 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.027 -2.951 -11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.895 -1.701 -12.419 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.434 -2.527 -11.887 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.367 -1.558 -11.701 1.00 0.00 C ATOM 1516 C ILE A 99 -0.057 -2.140 -12.238 1.00 0.00 C ATOM 1517 O ILE A 99 0.660 -1.477 -12.985 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.291 -1.119 -10.237 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.600 -0.465 -9.792 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.085 -0.208 -10.000 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.740 0.940 -10.383 1.00 0.00 C ATOM 0 H ILE A 99 -2.275 -3.429 -11.437 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.571 -0.652 -12.271 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.150 -2.007 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.443 -1.081 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.632 -0.410 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.054 0.090 -8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.830 -0.743 -10.252 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.171 0.680 -10.627 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.679 1.382 -10.051 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.908 1.560 -10.048 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.732 0.879 -11.471 1.00 0.00 H new ATOM 1533 N LEU A 100 0.214 -3.372 -11.835 1.00 0.00 N ATOM 1534 CA LEU A 100 1.425 -4.051 -12.266 1.00 0.00 C ATOM 1535 C LEU A 100 1.077 -5.059 -13.363 1.00 0.00 C ATOM 1536 O LEU A 100 1.924 -5.405 -14.184 1.00 0.00 O ATOM 1537 CB LEU A 100 2.147 -4.670 -11.068 1.00 0.00 C ATOM 1538 CG LEU A 100 2.807 -3.686 -10.099 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.558 -4.427 -8.991 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.711 -2.704 -10.847 1.00 0.00 C ATOM 0 H LEU A 100 -0.384 -3.918 -11.215 1.00 0.00 H new ATOM 0 HA LEU A 100 2.128 -3.339 -12.699 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.431 -5.273 -10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.913 -5.349 -11.442 1.00 0.00 H new ATOM 0 HG LEU A 100 2.023 -3.101 -9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.017 -3.704 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.860 -5.051 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.332 -5.054 -9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.168 -2.016 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.492 -3.255 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.118 -2.140 -11.568 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.172 -5.502 -13.340 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.642 -6.463 -14.323 1.00 0.00 C ATOM 1554 C GLY A 101 -0.722 -7.867 -13.721 1.00 0.00 C ATOM 1555 O GLY A 101 -0.907 -8.846 -14.442 1.00 0.00 O ATOM 0 H GLY A 101 -0.872 -5.213 -12.657 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.624 -6.164 -14.689 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.030 -6.469 -15.181 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.580 -7.922 -12.405 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.633 -9.190 -11.698 1.00 0.00 C ATOM 1561 C ALA A 102 -0.778 -8.927 -10.197 1.00 0.00 C ATOM 1562 O ALA A 102 -0.890 -7.778 -9.773 1.00 0.00 O ATOM 1563 CB ALA A 102 0.614 -10.012 -12.028 1.00 0.00 C ATOM 0 H ALA A 102 -0.428 -7.108 -11.809 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.499 -9.770 -12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.574 -10.963 -11.497 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.654 -10.197 -13.101 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.504 -9.463 -11.721 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.770 -10.011 -9.436 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.899 -9.911 -7.992 1.00 0.00 C ATOM 1571 C ASP A 103 0.479 -9.660 -7.377 1.00 0.00 C ATOM 1572 O ASP A 103 1.465 -10.321 -7.695 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.452 -11.208 -7.398 1.00 0.00 C ATOM 1574 CG ASP A 103 -1.900 -11.112 -5.938 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.457 -10.152 -5.271 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.677 -11.999 -5.523 1.00 0.00 O ATOM 0 H ASP A 103 -0.676 -10.962 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.583 -9.092 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.299 -11.534 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.688 -11.981 -7.478 1.00 0.00 H new ATOM 1581 N CYS A 104 0.524 -8.675 -6.477 1.00 0.00 N ATOM 1582 CA CYS A 104 1.752 -8.309 -5.799 1.00 0.00 C ATOM 1583 C CYS A 104 2.095 -9.365 -4.759 1.00 0.00 C ATOM 1584 O CYS A 104 1.206 -10.119 -4.366 1.00 0.00 O ATOM 1585 CB CYS A 104 1.583 -6.939 -5.147 1.00 0.00 C ATOM 1586 SG CYS A 104 1.660 -5.669 -6.434 1.00 0.00 S ATOM 0 H CYS A 104 -0.286 -8.118 -6.205 1.00 0.00 H new ATOM 0 HA CYS A 104 2.570 -8.254 -6.517 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.630 -6.886 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.366 -6.774 -4.406 1.00 0.00 H new ATOM 1591 N SER A 105 3.351 -9.402 -4.339 1.00 0.00 N ATOM 1592 CA SER A 105 3.780 -10.374 -3.347 1.00 0.00 C ATOM 1593 C SER A 105 3.217 -10.003 -1.974 1.00 0.00 C ATOM 1594 O SER A 105 3.137 -8.837 -1.594 1.00 0.00 O ATOM 1595 CB SER A 105 5.306 -10.464 -3.288 1.00 0.00 C ATOM 1596 OG SER A 105 5.895 -10.410 -4.585 1.00 0.00 O ATOM 0 H SER A 105 4.085 -8.775 -4.667 1.00 0.00 H new ATOM 0 HA SER A 105 3.396 -11.352 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.694 -9.647 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.596 -11.393 -2.797 1.00 0.00 H new ATOM 0 HG SER A 105 6.870 -10.469 -4.504 1.00 0.00 H new ATOM 1602 N PRO A 106 2.822 -11.038 -1.227 1.00 0.00 N ATOM 1603 CA PRO A 106 2.262 -10.919 0.101 1.00 0.00 C ATOM 1604 C PRO A 106 3.281 -10.271 1.029 1.00 0.00 C ATOM 1605 O PRO A 106 2.898 -9.812 2.104 1.00 0.00 O ATOM 1606 CB PRO A 106 1.965 -12.354 0.531 1.00 0.00 C ATOM 1607 CG PRO A 106 2.902 -13.224 -0.343 1.00 0.00 C ATOM 1608 CD PRO A 106 2.902 -12.422 -1.643 1.00 0.00 C ATOM 0 HA PRO A 106 1.366 -10.299 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.165 -12.499 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.918 -12.609 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.900 -13.317 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.519 -14.235 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.806 -12.609 -2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.057 -12.694 -2.275 1.00 0.00 H new ATOM 1616 N SER A 107 4.537 -10.248 0.607 1.00 0.00 N ATOM 1617 CA SER A 107 5.587 -9.654 1.418 1.00 0.00 C ATOM 1618 C SER A 107 5.721 -8.165 1.091 1.00 0.00 C ATOM 1619 O SER A 107 5.939 -7.348 1.984 1.00 0.00 O ATOM 1620 CB SER A 107 6.922 -10.368 1.198 1.00 0.00 C ATOM 1621 OG SER A 107 7.487 -10.066 -0.074 1.00 0.00 O ATOM 0 H SER A 107 4.851 -10.631 -0.285 1.00 0.00 H new ATOM 0 HA SER A 107 5.314 -9.766 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.621 -10.079 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.775 -11.445 1.283 1.00 0.00 H new ATOM 0 HG SER A 107 8.339 -10.540 -0.174 1.00 0.00 H new ATOM 1627 N GLU A 108 5.587 -7.859 -0.191 1.00 0.00 N ATOM 1628 CA GLU A 108 5.691 -6.483 -0.646 1.00 0.00 C ATOM 1629 C GLU A 108 4.595 -5.628 -0.007 1.00 0.00 C ATOM 1630 O GLU A 108 4.733 -4.410 0.095 1.00 0.00 O ATOM 1631 CB GLU A 108 5.627 -6.404 -2.173 1.00 0.00 C ATOM 1632 CG GLU A 108 6.631 -7.365 -2.814 1.00 0.00 C ATOM 1633 CD GLU A 108 7.885 -6.619 -3.276 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.370 -5.781 -2.487 1.00 0.00 O ATOM 1635 OE2 GLU A 108 8.329 -6.905 -4.409 1.00 0.00 O ATOM 0 H GLU A 108 5.407 -8.540 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 108 6.659 -6.090 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.619 -6.646 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.836 -5.385 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.907 -8.139 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.168 -7.867 -3.664 1.00 0.00 H new ATOM 1642 N LYS A 109 3.530 -6.300 0.406 1.00 0.00 N ATOM 1643 CA LYS A 109 2.411 -5.617 1.033 1.00 0.00 C ATOM 1644 C LYS A 109 2.660 -5.515 2.539 1.00 0.00 C ATOM 1645 O LYS A 109 2.664 -4.419 3.098 1.00 0.00 O ATOM 1646 CB LYS A 109 1.093 -6.306 0.672 1.00 0.00 C ATOM 1647 CG LYS A 109 0.647 -5.929 -0.742 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.776 -6.422 -1.017 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.838 -7.951 -1.007 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.229 -8.411 -0.799 1.00 0.00 N ATOM 0 H LYS A 109 3.418 -7.310 0.319 1.00 0.00 H new ATOM 0 HA LYS A 109 2.326 -4.598 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.212 -7.387 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.322 -6.022 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.691 -4.847 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.333 -6.361 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.455 -6.022 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.114 -6.047 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.456 -8.343 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.197 -8.342 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.221 -9.349 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.729 -7.737 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.716 -8.471 -1.716 1.00 0.00 H new ATOM 1664 N ALA A 110 2.861 -6.671 3.153 1.00 0.00 N ATOM 1665 CA ALA A 110 3.109 -6.726 4.583 1.00 0.00 C ATOM 1666 C ALA A 110 4.031 -5.571 4.981 1.00 0.00 C ATOM 1667 O ALA A 110 3.964 -5.078 6.105 1.00 0.00 O ATOM 1668 CB ALA A 110 3.695 -8.091 4.948 1.00 0.00 C ATOM 0 H ALA A 110 2.857 -7.578 2.686 1.00 0.00 H new ATOM 0 HA ALA A 110 2.178 -6.612 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.881 -8.132 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.990 -8.875 4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.632 -8.240 4.411 1.00 0.00 H new ATOM 1674 N ASN A 111 4.870 -5.174 4.036 1.00 0.00 N ATOM 1675 CA ASN A 111 5.804 -4.086 4.273 1.00 0.00 C ATOM 1676 C ASN A 111 5.070 -2.750 4.134 1.00 0.00 C ATOM 1677 O ASN A 111 5.046 -1.951 5.069 1.00 0.00 O ATOM 1678 CB ASN A 111 6.944 -4.107 3.253 1.00 0.00 C ATOM 1679 CG ASN A 111 8.189 -3.412 3.809 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.233 -4.013 4.001 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.021 -2.116 4.056 1.00 0.00 N ATOM 0 H ASN A 111 4.923 -5.586 3.104 1.00 0.00 H new ATOM 0 HA ASN A 111 6.215 -4.206 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.184 -5.138 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.625 -3.612 2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.793 -1.564 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.120 -1.674 3.872 1.00 0.00 H new ATOM 1688 N PHE A 112 4.490 -2.549 2.960 1.00 0.00 N ATOM 1689 CA PHE A 112 3.758 -1.324 2.687 1.00 0.00 C ATOM 1690 C PHE A 112 2.817 -0.979 3.843 1.00 0.00 C ATOM 1691 O PHE A 112 2.746 0.174 4.267 1.00 0.00 O ATOM 1692 CB PHE A 112 2.928 -1.571 1.426 1.00 0.00 C ATOM 1693 CG PHE A 112 2.146 -0.347 0.947 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.803 0.703 0.385 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.793 -0.308 1.082 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.077 1.840 -0.060 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.067 0.828 0.636 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.725 1.878 0.075 1.00 0.00 C ATOM 0 H PHE A 112 4.512 -3.214 2.187 1.00 0.00 H new ATOM 0 HA PHE A 112 4.454 -0.495 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.591 -1.902 0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.228 -2.385 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.877 0.672 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.271 -1.141 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.599 2.674 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.007 0.858 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.173 2.742 -0.263 1.00 0.00 H new ATOM 1708 N ILE A 113 2.119 -1.998 4.321 1.00 0.00 N ATOM 1709 CA ILE A 113 1.186 -1.817 5.420 1.00 0.00 C ATOM 1710 C ILE A 113 1.927 -1.223 6.620 1.00 0.00 C ATOM 1711 O ILE A 113 1.370 -0.410 7.357 1.00 0.00 O ATOM 1712 CB ILE A 113 0.463 -3.129 5.732 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.737 -3.328 4.804 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.065 -3.199 7.207 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.652 -4.672 4.077 1.00 0.00 C ATOM 0 H ILE A 113 2.181 -2.953 3.967 1.00 0.00 H new ATOM 0 HA ILE A 113 0.406 -1.108 5.143 1.00 0.00 H new ATOM 0 HB ILE A 113 1.153 -3.952 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.660 -3.281 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.776 -2.518 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.447 -4.141 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.958 -3.137 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.600 -2.369 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.517 -4.788 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.260 -4.706 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.638 -5.481 4.808 1.00 0.00 H new ATOM 1727 N ALA A 114 3.170 -1.651 6.778 1.00 0.00 N ATOM 1728 CA ALA A 114 3.993 -1.172 7.876 1.00 0.00 C ATOM 1729 C ALA A 114 4.300 0.312 7.667 1.00 0.00 C ATOM 1730 O ALA A 114 3.845 1.183 8.405 1.00 0.00 O ATOM 1731 CB ALA A 114 5.261 -2.022 7.972 1.00 0.00 C ATOM 0 H ALA A 114 3.628 -2.325 6.164 1.00 0.00 H new ATOM 0 HA ALA A 114 3.463 -1.269 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.878 -1.663 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.989 -3.062 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.821 -1.947 7.040 1.00 0.00 H new ATOM 1737 N TYR A 115 5.094 0.584 6.629 1.00 0.00 N ATOM 1738 CA TYR A 115 5.481 1.940 6.298 1.00 0.00 C ATOM 1739 C TYR A 115 4.265 2.854 6.364 1.00 0.00 C ATOM 1740 O TYR A 115 4.422 4.030 6.688 1.00 0.00 O ATOM 1741 CB TYR A 115 6.101 1.965 4.905 1.00 0.00 C ATOM 1742 CG TYR A 115 7.286 2.894 4.789 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.089 4.242 4.465 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.581 2.408 5.005 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.188 5.103 4.357 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.679 3.269 4.897 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.483 4.617 4.573 1.00 0.00 C ATOM 1748 OH TYR A 115 10.553 5.456 4.468 1.00 0.00 O ATOM 0 H TYR A 115 5.478 -0.126 6.006 1.00 0.00 H new ATOM 0 HA TYR A 115 6.219 2.298 7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.413 0.956 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.342 2.266 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.090 4.617 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.733 1.368 5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.037 6.143 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.678 2.894 5.064 1.00 0.00 H new ATOM 0 HH TYR A 115 11.381 4.946 4.586 1.00 0.00 H new ATOM 1758 N LEU A 116 3.096 2.308 6.061 1.00 0.00 N ATOM 1759 CA LEU A 116 1.873 3.093 6.093 1.00 0.00 C ATOM 1760 C LEU A 116 1.482 3.360 7.548 1.00 0.00 C ATOM 1761 O LEU A 116 1.054 4.463 7.887 1.00 0.00 O ATOM 1762 CB LEU A 116 0.776 2.408 5.277 1.00 0.00 C ATOM 1763 CG LEU A 116 0.386 3.096 3.967 1.00 0.00 C ATOM 1764 CD1 LEU A 116 1.619 3.654 3.253 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -0.417 2.152 3.069 1.00 0.00 C ATOM 0 H LEU A 116 2.970 1.332 5.792 1.00 0.00 H new ATOM 0 HA LEU A 116 2.030 4.063 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.101 1.393 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.115 2.325 5.900 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.260 3.941 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.314 4.138 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.114 4.382 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.309 2.840 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.681 2.666 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.184 1.273 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.326 1.844 3.586 1.00 0.00 H new ATOM 1777 N LEU A 117 1.641 2.332 8.368 1.00 0.00 N ATOM 1778 CA LEU A 117 1.309 2.442 9.779 1.00 0.00 C ATOM 1779 C LEU A 117 2.556 2.859 10.561 1.00 0.00 C ATOM 1780 O LEU A 117 2.651 2.614 11.762 1.00 0.00 O ATOM 1781 CB LEU A 117 0.673 1.145 10.282 1.00 0.00 C ATOM 1782 CG LEU A 117 1.644 0.034 10.686 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.895 0.047 12.196 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.151 -1.330 10.199 1.00 0.00 C ATOM 0 H LEU A 117 1.995 1.419 8.083 1.00 0.00 H new ATOM 0 HA LEU A 117 0.560 3.219 9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.045 1.381 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.016 0.760 9.502 1.00 0.00 H new ATOM 0 HG LEU A 117 2.600 0.223 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.589 -0.753 12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.323 1.007 12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.953 -0.104 12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.860 -2.102 10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.176 -1.542 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.066 -1.319 9.112 1.00 0.00 H new ATOM 1796 N THR A 118 3.482 3.482 9.847 1.00 0.00 N ATOM 1797 CA THR A 118 4.719 3.936 10.459 1.00 0.00 C ATOM 1798 C THR A 118 4.867 5.451 10.305 1.00 0.00 C ATOM 1799 O THR A 118 5.961 5.991 10.461 1.00 0.00 O ATOM 1800 CB THR A 118 5.872 3.147 9.835 1.00 0.00 C ATOM 1801 OG1 THR A 118 6.715 2.831 10.940 1.00 0.00 O ATOM 1802 CG2 THR A 118 6.752 4.012 8.931 1.00 0.00 C ATOM 0 H THR A 118 3.400 3.683 8.850 1.00 0.00 H new ATOM 0 HA THR A 118 4.720 3.749 11.533 1.00 0.00 H new ATOM 0 HB THR A 118 5.471 2.312 9.260 1.00 0.00 H new ATOM 0 HG1 THR A 118 6.955 3.654 11.414 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.554 3.403 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.149 4.422 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.180 4.828 9.513 1.00 0.00 H new