USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot -120:sc= 0.721 USER MOD Set 1.2: A 41 GLN : amide:sc= 1.23 K(o=1.9,f=0.87) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 1.19 (180deg=1.07) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0.701) USER MOD Single : A 7 MET CE :methyl 155:sc= -0.601 (180deg=-0.839) USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= 0.72 (180deg=-0.25!) USER MOD Single : A 12 MET CE :methyl -174:sc=-0.00932 (180deg=-0.0368) USER MOD Single : A 15 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 44 THR OG1 : rot 85:sc= 0.429 USER MOD Single : A 47 TYR OH : rot 30:sc= -0.459 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 50 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.34) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 156:sc= -0.295 (180deg=-2.31) USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 2.45 (180deg=2.23) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 2.07 (180deg=1.23) USER MOD Single : A 60 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.13) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.206 2.225 15.015 1.00 0.00 N ATOM 2 CA GLY A 1 4.909 0.811 14.751 1.00 0.00 C ATOM 3 C GLY A 1 3.424 0.761 14.453 1.00 0.00 C ATOM 4 O GLY A 1 2.665 1.424 15.160 1.00 0.00 O ATOM 0 H1 GLY A 1 6.183 2.316 15.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.096 2.772 14.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.549 2.589 15.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.492 0.438 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.158 0.190 15.611 1.00 0.00 H new ATOM 10 N GLU A 2 3.039 0.110 13.362 1.00 0.00 N ATOM 11 CA GLU A 2 1.826 0.412 12.626 1.00 0.00 C ATOM 12 C GLU A 2 1.381 -0.841 11.880 1.00 0.00 C ATOM 13 O GLU A 2 2.048 -1.876 11.940 1.00 0.00 O ATOM 14 CB GLU A 2 2.098 1.590 11.671 1.00 0.00 C ATOM 15 CG GLU A 2 1.684 2.952 12.255 1.00 0.00 C ATOM 16 CD GLU A 2 2.765 3.694 13.038 1.00 0.00 C ATOM 17 OE1 GLU A 2 3.945 3.273 12.990 1.00 0.00 O ATOM 18 OE2 GLU A 2 2.391 4.695 13.684 1.00 0.00 O ATOM 0 H GLU A 2 3.576 -0.658 12.959 1.00 0.00 H new ATOM 0 HA GLU A 2 1.021 0.708 13.298 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.160 1.614 11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.561 1.424 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.351 3.591 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.826 2.800 12.910 1.00 0.00 H new ATOM 25 N VAL A 3 0.234 -0.782 11.195 1.00 0.00 N ATOM 26 CA VAL A 3 -0.298 -1.926 10.539 1.00 0.00 C ATOM 27 C VAL A 3 0.304 -2.004 9.146 1.00 0.00 C ATOM 28 O VAL A 3 0.084 -1.141 8.295 1.00 0.00 O ATOM 29 CB VAL A 3 -1.817 -1.924 10.641 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.601 -0.814 9.934 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.297 -3.248 10.115 1.00 0.00 C ATOM 0 H VAL A 3 -0.329 0.063 11.095 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.016 -2.862 11.021 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.017 -1.735 11.696 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.668 -0.957 10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.297 0.155 10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.397 -0.849 8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.385 -3.289 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.982 -3.363 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.873 -4.053 10.715 1.00 0.00 H new ATOM 41 N VAL A 4 1.108 -3.046 8.968 1.00 0.00 N ATOM 42 CA VAL A 4 1.708 -3.424 7.701 1.00 0.00 C ATOM 43 C VAL A 4 0.629 -4.184 6.943 1.00 0.00 C ATOM 44 O VAL A 4 0.039 -5.115 7.488 1.00 0.00 O ATOM 45 CB VAL A 4 3.008 -4.240 7.928 1.00 0.00 C ATOM 46 CG1 VAL A 4 2.995 -5.639 7.298 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.235 -3.524 7.360 1.00 0.00 C ATOM 0 H VAL A 4 1.367 -3.671 9.731 1.00 0.00 H new ATOM 0 HA VAL A 4 2.028 -2.563 7.115 1.00 0.00 H new ATOM 0 HB VAL A 4 3.060 -4.336 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.941 -6.140 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.176 -6.221 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.859 -5.551 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.124 -4.128 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.107 -3.377 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.350 -2.556 7.848 1.00 0.00 H new ATOM 57 N LEU A 5 0.367 -3.779 5.702 1.00 0.00 N ATOM 58 CA LEU A 5 -0.429 -4.528 4.753 1.00 0.00 C ATOM 59 C LEU A 5 0.501 -4.879 3.600 1.00 0.00 C ATOM 60 O LEU A 5 1.087 -3.981 2.993 1.00 0.00 O ATOM 61 CB LEU A 5 -1.601 -3.675 4.252 1.00 0.00 C ATOM 62 CG LEU A 5 -2.907 -3.888 5.029 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.366 -5.352 5.012 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.799 -3.421 6.482 1.00 0.00 C ATOM 0 H LEU A 5 0.715 -2.897 5.326 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.851 -5.424 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.322 -2.623 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.776 -3.899 3.200 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.650 -3.279 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.294 -5.449 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.532 -5.669 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.599 -5.979 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.748 -3.592 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.011 -3.980 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.561 -2.357 6.506 1.00 0.00 H new ATOM 76 N LYS A 6 0.630 -6.176 3.304 1.00 0.00 N ATOM 77 CA LYS A 6 1.337 -6.651 2.130 1.00 0.00 C ATOM 78 C LYS A 6 0.262 -6.983 1.093 1.00 0.00 C ATOM 79 O LYS A 6 -0.605 -7.830 1.340 1.00 0.00 O ATOM 80 CB LYS A 6 2.199 -7.873 2.484 1.00 0.00 C ATOM 81 CG LYS A 6 3.559 -7.894 1.787 1.00 0.00 C ATOM 82 CD LYS A 6 4.600 -7.109 2.600 1.00 0.00 C ATOM 83 CE LYS A 6 6.009 -7.202 1.998 1.00 0.00 C ATOM 84 NZ LYS A 6 6.530 -8.583 1.958 1.00 0.00 N ATOM 0 H LYS A 6 0.242 -6.923 3.880 1.00 0.00 H new ATOM 0 HA LYS A 6 2.024 -5.903 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.354 -7.896 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.653 -8.779 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.892 -8.924 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.469 -7.463 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.300 -6.062 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.619 -7.488 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.993 -6.796 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.689 -6.580 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.553 -8.563 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.355 -9.047 2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.050 -9.114 1.203 1.00 0.00 H new ATOM 98 N MET A 7 0.299 -6.293 -0.044 1.00 0.00 N ATOM 99 CA MET A 7 -0.586 -6.486 -1.167 1.00 0.00 C ATOM 100 C MET A 7 0.241 -6.908 -2.371 1.00 0.00 C ATOM 101 O MET A 7 1.184 -6.216 -2.735 1.00 0.00 O ATOM 102 CB MET A 7 -1.388 -5.210 -1.442 1.00 0.00 C ATOM 103 CG MET A 7 -0.665 -3.903 -1.126 1.00 0.00 C ATOM 104 SD MET A 7 -1.559 -2.384 -1.532 1.00 0.00 S ATOM 105 CE MET A 7 -2.567 -2.201 -0.044 1.00 0.00 C ATOM 0 H MET A 7 0.982 -5.552 -0.205 1.00 0.00 H new ATOM 0 HA MET A 7 -1.309 -7.272 -0.947 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.676 -5.201 -2.493 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.308 -5.247 -0.859 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.430 -3.889 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.284 -3.897 -1.662 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.830 -1.152 0.091 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.477 -2.793 -0.146 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.004 -2.548 0.822 1.00 0.00 H new ATOM 115 N LYS A 8 -0.097 -8.039 -2.993 1.00 0.00 N ATOM 116 CA LYS A 8 0.549 -8.388 -4.254 1.00 0.00 C ATOM 117 C LYS A 8 0.035 -7.432 -5.314 1.00 0.00 C ATOM 118 O LYS A 8 -1.158 -7.145 -5.292 1.00 0.00 O ATOM 119 CB LYS A 8 0.293 -9.832 -4.670 1.00 0.00 C ATOM 120 CG LYS A 8 1.000 -10.804 -3.731 1.00 0.00 C ATOM 121 CD LYS A 8 0.187 -11.127 -2.474 1.00 0.00 C ATOM 122 CE LYS A 8 0.752 -12.372 -1.776 1.00 0.00 C ATOM 123 NZ LYS A 8 2.024 -12.089 -1.085 1.00 0.00 N ATOM 0 H LYS A 8 -0.790 -8.707 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 8 1.629 -8.299 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.779 -10.031 -4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.642 -9.988 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.211 -11.729 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.960 -10.381 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.209 -10.278 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.856 -11.294 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.024 -12.746 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.907 -13.161 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.639 -12.926 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.497 -11.285 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.834 -11.856 -0.089 1.00 0.00 H new ATOM 137 N VAL A 9 0.894 -6.924 -6.198 1.00 0.00 N ATOM 138 CA VAL A 9 0.496 -6.014 -7.251 1.00 0.00 C ATOM 139 C VAL A 9 1.058 -6.542 -8.559 1.00 0.00 C ATOM 140 O VAL A 9 2.200 -6.984 -8.609 1.00 0.00 O ATOM 141 CB VAL A 9 1.008 -4.597 -6.971 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.237 -3.950 -5.817 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.517 -4.558 -6.722 1.00 0.00 C ATOM 0 H VAL A 9 1.891 -7.139 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.591 -5.957 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 9 0.825 -4.012 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.622 -2.945 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.821 -3.894 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.361 -4.550 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.827 -3.531 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.760 -5.179 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.041 -4.936 -7.600 1.00 0.00 H new ATOM 153 N GLU A 10 0.260 -6.464 -9.614 1.00 0.00 N ATOM 154 CA GLU A 10 0.615 -6.987 -10.920 1.00 0.00 C ATOM 155 C GLU A 10 1.061 -5.822 -11.799 1.00 0.00 C ATOM 156 O GLU A 10 0.594 -4.694 -11.624 1.00 0.00 O ATOM 157 CB GLU A 10 -0.577 -7.729 -11.534 1.00 0.00 C ATOM 158 CG GLU A 10 -1.174 -8.767 -10.570 1.00 0.00 C ATOM 159 CD GLU A 10 -0.207 -9.889 -10.215 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.311 -10.502 -11.172 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.039 -10.128 -9.000 1.00 0.00 O ATOM 0 H GLU A 10 -0.663 -6.030 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 10 1.432 -7.703 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.347 -7.009 -11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.260 -8.227 -12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.487 -8.264 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.069 -9.197 -11.020 1.00 0.00 H new ATOM 168 N GLY A 11 1.958 -6.068 -12.754 1.00 0.00 N ATOM 169 CA GLY A 11 2.246 -5.118 -13.823 1.00 0.00 C ATOM 170 C GLY A 11 3.192 -3.989 -13.407 1.00 0.00 C ATOM 171 O GLY A 11 4.053 -3.602 -14.197 1.00 0.00 O ATOM 0 H GLY A 11 2.502 -6.929 -12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.683 -5.654 -14.665 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.309 -4.684 -14.173 1.00 0.00 H new ATOM 175 N MET A 12 3.036 -3.442 -12.196 1.00 0.00 N ATOM 176 CA MET A 12 3.893 -2.371 -11.698 1.00 0.00 C ATOM 177 C MET A 12 5.346 -2.843 -11.579 1.00 0.00 C ATOM 178 O MET A 12 5.801 -3.302 -10.533 1.00 0.00 O ATOM 179 CB MET A 12 3.398 -1.811 -10.362 1.00 0.00 C ATOM 180 CG MET A 12 2.092 -1.014 -10.480 1.00 0.00 C ATOM 181 SD MET A 12 1.797 0.162 -9.128 1.00 0.00 S ATOM 182 CE MET A 12 1.578 -0.957 -7.733 1.00 0.00 C ATOM 0 H MET A 12 2.312 -3.732 -11.538 1.00 0.00 H new ATOM 0 HA MET A 12 3.848 -1.562 -12.427 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.250 -2.635 -9.664 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.170 -1.169 -9.938 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.099 -0.468 -11.423 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.258 -1.714 -10.523 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.284 -0.387 -6.852 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.803 -1.686 -7.969 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.515 -1.476 -7.533 1.00 0.00 H new ATOM 192 N THR A 13 6.083 -2.734 -12.678 1.00 0.00 N ATOM 193 CA THR A 13 7.466 -3.130 -12.809 1.00 0.00 C ATOM 194 C THR A 13 8.140 -2.192 -13.814 1.00 0.00 C ATOM 195 O THR A 13 8.829 -2.608 -14.739 1.00 0.00 O ATOM 196 CB THR A 13 7.493 -4.621 -13.166 1.00 0.00 C ATOM 197 OG1 THR A 13 6.709 -5.341 -12.231 1.00 0.00 O ATOM 198 CG2 THR A 13 8.898 -5.202 -13.136 1.00 0.00 C ATOM 0 H THR A 13 5.705 -2.346 -13.542 1.00 0.00 H new ATOM 0 HA THR A 13 8.042 -3.031 -11.889 1.00 0.00 H new ATOM 0 HB THR A 13 7.101 -4.712 -14.179 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.270 -6.001 -11.773 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.860 -6.260 -13.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.525 -4.674 -13.854 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.317 -5.089 -12.136 1.00 0.00 H new ATOM 206 N CYS A 14 7.903 -0.895 -13.608 1.00 0.00 N ATOM 207 CA CYS A 14 8.391 0.206 -14.425 1.00 0.00 C ATOM 208 C CYS A 14 9.077 1.279 -13.573 1.00 0.00 C ATOM 209 O CYS A 14 9.514 2.293 -14.113 1.00 0.00 O ATOM 210 CB CYS A 14 7.182 0.834 -15.121 1.00 0.00 C ATOM 211 SG CYS A 14 5.900 1.349 -13.947 1.00 0.00 S ATOM 0 H CYS A 14 7.335 -0.573 -12.824 1.00 0.00 H new ATOM 0 HA CYS A 14 9.121 -0.176 -15.139 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.508 1.697 -15.701 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.759 0.118 -15.826 1.00 0.00 H new ATOM 216 N HIS A 15 9.064 1.142 -12.242 1.00 0.00 N ATOM 217 CA HIS A 15 9.499 2.154 -11.282 1.00 0.00 C ATOM 218 C HIS A 15 8.618 3.423 -11.261 1.00 0.00 C ATOM 219 O HIS A 15 8.538 4.090 -10.232 1.00 0.00 O ATOM 220 CB HIS A 15 11.000 2.442 -11.430 1.00 0.00 C ATOM 221 CG HIS A 15 11.579 3.273 -10.311 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.333 4.413 -10.465 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.474 3.023 -8.968 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.669 4.844 -9.237 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.170 4.030 -8.293 1.00 0.00 N ATOM 0 H HIS A 15 8.737 0.288 -11.790 1.00 0.00 H new ATOM 0 HA HIS A 15 9.352 1.729 -10.289 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.538 1.495 -11.481 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.169 2.957 -12.376 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.948 2.197 -8.513 1.00 0.00 H new ATOM 0 HE1 HIS A 15 13.260 5.725 -9.037 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.277 4.127 -7.283 1.00 0.00 H new ATOM 233 N SER A 16 7.929 3.758 -12.355 1.00 0.00 N ATOM 234 CA SER A 16 7.062 4.924 -12.450 1.00 0.00 C ATOM 235 C SER A 16 5.829 4.774 -11.546 1.00 0.00 C ATOM 236 O SER A 16 5.770 5.387 -10.481 1.00 0.00 O ATOM 237 CB SER A 16 6.708 5.167 -13.926 1.00 0.00 C ATOM 238 OG SER A 16 5.994 6.377 -14.066 1.00 0.00 O ATOM 0 H SER A 16 7.963 3.211 -13.215 1.00 0.00 H new ATOM 0 HA SER A 16 7.584 5.808 -12.084 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.618 5.203 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.110 4.338 -14.305 1.00 0.00 H new ATOM 0 HG SER A 16 5.776 6.521 -15.011 1.00 0.00 H new ATOM 244 N CYS A 17 4.860 3.945 -11.954 1.00 0.00 N ATOM 245 CA CYS A 17 3.583 3.721 -11.288 1.00 0.00 C ATOM 246 C CYS A 17 3.738 3.570 -9.774 1.00 0.00 C ATOM 247 O CYS A 17 3.104 4.280 -8.993 1.00 0.00 O ATOM 248 CB CYS A 17 2.938 2.475 -11.903 1.00 0.00 C ATOM 249 SG CYS A 17 2.555 2.615 -13.672 1.00 0.00 S ATOM 0 H CYS A 17 4.956 3.386 -12.802 1.00 0.00 H new ATOM 0 HA CYS A 17 2.944 4.591 -11.439 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.606 1.626 -11.756 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.018 2.254 -11.362 1.00 0.00 H new ATOM 254 N THR A 18 4.607 2.645 -9.370 1.00 0.00 N ATOM 255 CA THR A 18 4.956 2.420 -7.976 1.00 0.00 C ATOM 256 C THR A 18 5.342 3.735 -7.286 1.00 0.00 C ATOM 257 O THR A 18 4.803 4.048 -6.230 1.00 0.00 O ATOM 258 CB THR A 18 6.024 1.313 -7.868 1.00 0.00 C ATOM 259 OG1 THR A 18 6.570 1.240 -6.571 1.00 0.00 O ATOM 260 CG2 THR A 18 7.194 1.445 -8.840 1.00 0.00 C ATOM 0 H THR A 18 5.094 2.023 -10.015 1.00 0.00 H new ATOM 0 HA THR A 18 4.084 2.056 -7.433 1.00 0.00 H new ATOM 0 HB THR A 18 5.470 0.410 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.242 0.527 -6.539 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.890 0.620 -8.686 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.821 1.419 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.707 2.390 -8.665 1.00 0.00 H new ATOM 268 N SER A 19 6.251 4.518 -7.875 1.00 0.00 N ATOM 269 CA SER A 19 6.724 5.769 -7.292 1.00 0.00 C ATOM 270 C SER A 19 5.588 6.794 -7.228 1.00 0.00 C ATOM 271 O SER A 19 5.398 7.441 -6.199 1.00 0.00 O ATOM 272 CB SER A 19 7.934 6.270 -8.092 1.00 0.00 C ATOM 273 OG SER A 19 8.496 7.421 -7.494 1.00 0.00 O ATOM 0 H SER A 19 6.679 4.297 -8.774 1.00 0.00 H new ATOM 0 HA SER A 19 7.049 5.607 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.686 5.483 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.630 6.498 -9.113 1.00 0.00 H new ATOM 0 HG SER A 19 9.266 7.720 -8.021 1.00 0.00 H new ATOM 279 N THR A 20 4.794 6.925 -8.298 1.00 0.00 N ATOM 280 CA THR A 20 3.590 7.750 -8.290 1.00 0.00 C ATOM 281 C THR A 20 2.712 7.397 -7.087 1.00 0.00 C ATOM 282 O THR A 20 2.323 8.275 -6.313 1.00 0.00 O ATOM 283 CB THR A 20 2.838 7.582 -9.619 1.00 0.00 C ATOM 284 OG1 THR A 20 3.641 8.072 -10.672 1.00 0.00 O ATOM 285 CG2 THR A 20 1.488 8.309 -9.635 1.00 0.00 C ATOM 0 H THR A 20 4.972 6.461 -9.189 1.00 0.00 H new ATOM 0 HA THR A 20 3.866 8.800 -8.192 1.00 0.00 H new ATOM 0 HB THR A 20 2.635 6.518 -9.744 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.166 7.965 -11.523 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.003 8.154 -10.599 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.853 7.915 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.647 9.376 -9.476 1.00 0.00 H new ATOM 293 N ILE A 21 2.398 6.110 -6.925 1.00 0.00 N ATOM 294 CA ILE A 21 1.614 5.650 -5.792 1.00 0.00 C ATOM 295 C ILE A 21 2.312 5.990 -4.482 1.00 0.00 C ATOM 296 O ILE A 21 1.661 6.480 -3.568 1.00 0.00 O ATOM 297 CB ILE A 21 1.251 4.158 -5.947 1.00 0.00 C ATOM 298 CG1 ILE A 21 -0.256 4.034 -6.161 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.625 3.284 -4.752 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.617 2.735 -6.869 1.00 0.00 C ATOM 0 H ILE A 21 2.679 5.371 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 21 0.663 6.182 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 21 1.831 3.799 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.766 4.078 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.611 4.880 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.333 2.253 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.702 3.331 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.108 3.643 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.697 2.682 -7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.128 2.703 -7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.284 1.889 -6.268 1.00 0.00 H new ATOM 312 N GLU A 22 3.621 5.758 -4.384 1.00 0.00 N ATOM 313 CA GLU A 22 4.375 6.048 -3.179 1.00 0.00 C ATOM 314 C GLU A 22 4.212 7.520 -2.786 1.00 0.00 C ATOM 315 O GLU A 22 3.837 7.828 -1.653 1.00 0.00 O ATOM 316 CB GLU A 22 5.827 5.544 -3.321 1.00 0.00 C ATOM 317 CG GLU A 22 6.020 4.374 -2.344 1.00 0.00 C ATOM 318 CD GLU A 22 7.367 3.666 -2.424 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.301 4.263 -2.997 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.429 2.535 -1.886 1.00 0.00 O ATOM 0 H GLU A 22 4.182 5.364 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 22 3.974 5.494 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.020 5.222 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.532 6.345 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.885 4.746 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.233 3.641 -2.523 1.00 0.00 H new ATOM 327 N GLY A 23 4.401 8.422 -3.749 1.00 0.00 N ATOM 328 CA GLY A 23 4.126 9.839 -3.588 1.00 0.00 C ATOM 329 C GLY A 23 2.697 10.089 -3.098 1.00 0.00 C ATOM 330 O GLY A 23 2.493 10.780 -2.100 1.00 0.00 O ATOM 0 H GLY A 23 4.755 8.179 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.834 10.268 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.279 10.349 -4.539 1.00 0.00 H new ATOM 334 N LYS A 24 1.695 9.556 -3.808 1.00 0.00 N ATOM 335 CA LYS A 24 0.297 9.820 -3.491 1.00 0.00 C ATOM 336 C LYS A 24 -0.040 9.337 -2.076 1.00 0.00 C ATOM 337 O LYS A 24 -0.538 10.097 -1.245 1.00 0.00 O ATOM 338 CB LYS A 24 -0.617 9.171 -4.546 1.00 0.00 C ATOM 339 CG LYS A 24 -1.953 9.914 -4.707 1.00 0.00 C ATOM 340 CD LYS A 24 -1.802 11.087 -5.692 1.00 0.00 C ATOM 341 CE LYS A 24 -3.142 11.743 -6.058 1.00 0.00 C ATOM 342 NZ LYS A 24 -3.718 12.527 -4.946 1.00 0.00 N ATOM 0 H LYS A 24 1.833 8.938 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 24 0.126 10.896 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.100 9.149 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.812 8.136 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.718 9.226 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.288 10.285 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.144 11.838 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.319 10.730 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.999 12.395 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.850 10.970 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.620 12.947 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.882 11.903 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.057 13.284 -4.676 1.00 0.00 H new ATOM 356 N ILE A 25 0.231 8.062 -1.818 1.00 0.00 N ATOM 357 CA ILE A 25 -0.031 7.390 -0.557 1.00 0.00 C ATOM 358 C ILE A 25 0.680 8.125 0.579 1.00 0.00 C ATOM 359 O ILE A 25 0.071 8.379 1.619 1.00 0.00 O ATOM 360 CB ILE A 25 0.301 5.890 -0.656 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.581 5.145 -1.668 1.00 0.00 C ATOM 362 CG2 ILE A 25 0.228 5.227 0.721 1.00 0.00 C ATOM 363 CD1 ILE A 25 -1.968 4.862 -1.109 1.00 0.00 C ATOM 0 H ILE A 25 0.656 7.447 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.095 7.428 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 25 1.323 5.822 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.670 5.738 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.102 4.206 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.466 4.167 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.944 5.702 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.778 5.339 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.561 4.334 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.881 4.247 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.457 5.803 -0.857 1.00 0.00 H new ATOM 375 N GLY A 26 1.932 8.533 0.355 1.00 0.00 N ATOM 376 CA GLY A 26 2.696 9.350 1.287 1.00 0.00 C ATOM 377 C GLY A 26 1.932 10.570 1.817 1.00 0.00 C ATOM 378 O GLY A 26 2.195 11.009 2.933 1.00 0.00 O ATOM 0 H GLY A 26 2.447 8.298 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.002 8.731 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.607 9.690 0.794 1.00 0.00 H new ATOM 382 N LYS A 27 1.001 11.137 1.038 1.00 0.00 N ATOM 383 CA LYS A 27 0.257 12.322 1.427 1.00 0.00 C ATOM 384 C LYS A 27 -1.016 11.984 2.225 1.00 0.00 C ATOM 385 O LYS A 27 -1.619 12.887 2.802 1.00 0.00 O ATOM 386 CB LYS A 27 0.007 13.160 0.157 1.00 0.00 C ATOM 387 CG LYS A 27 -1.017 14.283 0.348 1.00 0.00 C ATOM 388 CD LYS A 27 -0.924 15.356 -0.745 1.00 0.00 C ATOM 389 CE LYS A 27 0.118 16.419 -0.358 1.00 0.00 C ATOM 390 NZ LYS A 27 0.263 17.473 -1.384 1.00 0.00 N ATOM 0 H LYS A 27 0.748 10.778 0.117 1.00 0.00 H new ATOM 0 HA LYS A 27 0.838 12.922 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.951 13.594 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.336 12.501 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.021 13.858 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.865 14.747 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.650 14.896 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.897 15.825 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.169 16.876 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.082 15.936 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.977 18.163 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.564 17.044 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.649 17.954 -1.518 1.00 0.00 H new ATOM 404 N LEU A 28 -1.472 10.728 2.271 1.00 0.00 N ATOM 405 CA LEU A 28 -2.735 10.424 2.919 1.00 0.00 C ATOM 406 C LEU A 28 -2.616 10.457 4.438 1.00 0.00 C ATOM 407 O LEU A 28 -1.736 9.829 5.035 1.00 0.00 O ATOM 408 CB LEU A 28 -3.246 9.074 2.487 1.00 0.00 C ATOM 409 CG LEU A 28 -3.487 8.975 0.969 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.517 7.873 0.748 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.034 10.244 0.297 1.00 0.00 C ATOM 0 H LEU A 28 -0.989 9.923 1.872 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.442 11.196 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.529 8.309 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.177 8.860 3.011 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.512 8.789 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.717 7.770 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.131 6.931 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.441 8.129 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.166 10.063 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.994 10.506 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.331 11.064 0.441 1.00 0.00 H new ATOM 423 N GLN A 29 -3.551 11.173 5.061 1.00 0.00 N ATOM 424 CA GLN A 29 -3.526 11.435 6.482 1.00 0.00 C ATOM 425 C GLN A 29 -3.803 10.166 7.294 1.00 0.00 C ATOM 426 O GLN A 29 -4.948 9.839 7.587 1.00 0.00 O ATOM 427 CB GLN A 29 -4.457 12.617 6.799 1.00 0.00 C ATOM 428 CG GLN A 29 -5.939 12.277 6.585 1.00 0.00 C ATOM 429 CD GLN A 29 -6.761 13.509 6.221 1.00 0.00 C ATOM 430 OE1 GLN A 29 -7.162 14.277 7.087 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.016 13.717 4.931 1.00 0.00 N ATOM 0 H GLN A 29 -4.350 11.587 4.581 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.524 11.735 6.790 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.305 12.927 7.833 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.188 13.465 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.030 11.534 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.342 11.827 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.670 13.061 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.557 14.532 4.643 1.00 0.00 H new ATOM 440 N GLY A 30 -2.749 9.429 7.638 1.00 0.00 N ATOM 441 CA GLY A 30 -2.885 8.139 8.294 1.00 0.00 C ATOM 442 C GLY A 30 -1.722 7.210 8.001 1.00 0.00 C ATOM 443 O GLY A 30 -1.448 6.303 8.788 1.00 0.00 O ATOM 0 H GLY A 30 -1.783 9.711 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.963 8.290 9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.813 7.667 7.970 1.00 0.00 H new ATOM 447 N VAL A 31 -1.054 7.398 6.864 1.00 0.00 N ATOM 448 CA VAL A 31 0.047 6.532 6.493 1.00 0.00 C ATOM 449 C VAL A 31 1.316 6.941 7.239 1.00 0.00 C ATOM 450 O VAL A 31 1.511 8.119 7.535 1.00 0.00 O ATOM 451 CB VAL A 31 0.212 6.567 4.967 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.487 5.856 4.493 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.012 5.917 4.312 1.00 0.00 C ATOM 0 H VAL A 31 -1.259 8.138 6.193 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.160 5.502 6.783 1.00 0.00 H new ATOM 0 HB VAL A 31 0.298 7.612 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.552 5.912 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.359 6.340 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.457 4.811 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.900 5.939 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.098 4.883 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.910 6.466 4.595 1.00 0.00 H new ATOM 463 N GLN A 32 2.159 5.953 7.555 1.00 0.00 N ATOM 464 CA GLN A 32 3.391 6.134 8.316 1.00 0.00 C ATOM 465 C GLN A 32 4.606 5.583 7.565 1.00 0.00 C ATOM 466 O GLN A 32 5.706 6.116 7.705 1.00 0.00 O ATOM 467 CB GLN A 32 3.222 5.473 9.687 1.00 0.00 C ATOM 468 CG GLN A 32 2.362 6.328 10.622 1.00 0.00 C ATOM 469 CD GLN A 32 3.161 7.347 11.433 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.231 7.792 11.026 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.645 7.733 12.595 1.00 0.00 N ATOM 0 H GLN A 32 1.996 4.984 7.281 1.00 0.00 H new ATOM 0 HA GLN A 32 3.578 7.199 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.763 4.492 9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.201 5.313 10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.613 6.855 10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.825 5.673 11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.755 7.348 12.911 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.139 8.414 13.171 1.00 0.00 H new ATOM 480 N ARG A 33 4.446 4.523 6.765 1.00 0.00 N ATOM 481 CA ARG A 33 5.524 3.977 5.960 1.00 0.00 C ATOM 482 C ARG A 33 4.889 3.271 4.774 1.00 0.00 C ATOM 483 O ARG A 33 3.691 3.004 4.751 1.00 0.00 O ATOM 484 CB ARG A 33 6.391 3.029 6.807 1.00 0.00 C ATOM 485 CG ARG A 33 7.888 3.043 6.461 1.00 0.00 C ATOM 486 CD ARG A 33 8.708 3.556 7.652 1.00 0.00 C ATOM 487 NE ARG A 33 10.117 3.148 7.549 1.00 0.00 N ATOM 488 CZ ARG A 33 10.971 3.123 8.586 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.630 3.709 9.739 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.151 2.504 8.470 1.00 0.00 N ATOM 0 H ARG A 33 3.562 4.025 6.663 1.00 0.00 H new ATOM 0 HA ARG A 33 6.189 4.762 5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.273 3.293 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.015 2.013 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.215 2.039 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.061 3.678 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.645 4.643 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.284 3.173 8.580 1.00 0.00 H new ATOM 0 HE ARG A 33 10.468 2.867 6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.725 4.172 9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.275 3.693 10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.404 2.049 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.797 2.487 9.259 1.00 0.00 H new ATOM 504 N ILE A 34 5.685 3.002 3.755 1.00 0.00 N ATOM 505 CA ILE A 34 5.255 2.398 2.533 1.00 0.00 C ATOM 506 C ILE A 34 6.523 1.814 1.930 1.00 0.00 C ATOM 507 O ILE A 34 7.593 2.407 2.082 1.00 0.00 O ATOM 508 CB ILE A 34 4.555 3.466 1.682 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.258 2.865 0.311 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.340 4.785 1.559 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.190 3.649 -0.450 1.00 0.00 C ATOM 0 H ILE A 34 6.683 3.211 3.769 1.00 0.00 H new ATOM 0 HA ILE A 34 4.519 1.601 2.637 1.00 0.00 H new ATOM 0 HB ILE A 34 3.632 3.745 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.175 2.840 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.929 1.833 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.778 5.487 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.490 5.213 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.308 4.591 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.016 3.180 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.263 3.652 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.528 4.674 -0.599 1.00 0.00 H new ATOM 523 N LYS A 35 6.417 0.629 1.337 1.00 0.00 N ATOM 524 CA LYS A 35 7.477 0.008 0.578 1.00 0.00 C ATOM 525 C LYS A 35 6.901 -0.768 -0.613 1.00 0.00 C ATOM 526 O LYS A 35 6.664 -1.977 -0.520 1.00 0.00 O ATOM 527 CB LYS A 35 8.388 -0.846 1.474 1.00 0.00 C ATOM 528 CG LYS A 35 9.602 -0.128 2.075 1.00 0.00 C ATOM 529 CD LYS A 35 10.568 0.350 0.981 1.00 0.00 C ATOM 530 CE LYS A 35 11.882 0.892 1.558 1.00 0.00 C ATOM 531 NZ LYS A 35 12.775 -0.189 2.022 1.00 0.00 N ATOM 0 H LYS A 35 5.567 0.067 1.377 1.00 0.00 H new ATOM 0 HA LYS A 35 8.116 0.789 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.788 -1.249 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.745 -1.695 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.267 0.725 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.124 -0.800 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.785 -0.477 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.086 1.128 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.394 1.483 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.663 1.562 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.650 0.223 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.298 -0.738 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.007 -0.815 1.224 1.00 0.00 H new ATOM 545 N VAL A 36 6.669 -0.081 -1.731 1.00 0.00 N ATOM 546 CA VAL A 36 6.157 -0.704 -2.941 1.00 0.00 C ATOM 547 C VAL A 36 7.329 -1.335 -3.704 1.00 0.00 C ATOM 548 O VAL A 36 8.227 -0.617 -4.136 1.00 0.00 O ATOM 549 CB VAL A 36 5.342 0.313 -3.755 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.704 -0.340 -4.988 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.204 0.876 -2.891 1.00 0.00 C ATOM 0 H VAL A 36 6.832 0.922 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 36 5.461 -1.511 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 36 6.026 1.101 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.135 0.407 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.485 -0.749 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.038 -1.142 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.629 1.597 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.552 0.063 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.623 1.369 -2.014 1.00 0.00 H new ATOM 561 N SER A 37 7.359 -2.670 -3.844 1.00 0.00 N ATOM 562 CA SER A 37 8.400 -3.340 -4.610 1.00 0.00 C ATOM 563 C SER A 37 7.896 -3.560 -6.034 1.00 0.00 C ATOM 564 O SER A 37 6.696 -3.486 -6.291 1.00 0.00 O ATOM 565 CB SER A 37 8.802 -4.674 -3.975 1.00 0.00 C ATOM 566 OG SER A 37 8.840 -4.624 -2.562 1.00 0.00 O ATOM 0 H SER A 37 6.670 -3.299 -3.433 1.00 0.00 H new ATOM 0 HA SER A 37 9.289 -2.709 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.098 -5.445 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.783 -4.967 -4.349 1.00 0.00 H new ATOM 0 HG SER A 37 9.100 -5.501 -2.211 1.00 0.00 H new ATOM 572 N LEU A 38 8.817 -3.880 -6.943 1.00 0.00 N ATOM 573 CA LEU A 38 8.503 -4.221 -8.321 1.00 0.00 C ATOM 574 C LEU A 38 8.942 -5.652 -8.616 1.00 0.00 C ATOM 575 O LEU A 38 8.167 -6.432 -9.162 1.00 0.00 O ATOM 576 CB LEU A 38 9.115 -3.217 -9.309 1.00 0.00 C ATOM 577 CG LEU A 38 10.491 -2.646 -8.936 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.287 -2.365 -10.215 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.344 -1.343 -8.141 1.00 0.00 C ATOM 0 H LEU A 38 9.815 -3.909 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 38 7.423 -4.161 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.198 -3.702 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.420 -2.385 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 38 11.013 -3.377 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.264 -1.959 -9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.416 -3.292 -10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.747 -1.644 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.332 -0.958 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.811 -0.607 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.785 -1.536 -7.226 1.00 0.00 H new ATOM 591 N ASP A 39 10.170 -6.009 -8.239 1.00 0.00 N ATOM 592 CA ASP A 39 10.820 -7.267 -8.580 1.00 0.00 C ATOM 593 C ASP A 39 9.916 -8.444 -8.267 1.00 0.00 C ATOM 594 O ASP A 39 9.615 -9.273 -9.122 1.00 0.00 O ATOM 595 CB ASP A 39 12.119 -7.436 -7.770 1.00 0.00 C ATOM 596 CG ASP A 39 12.955 -6.165 -7.673 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.401 -5.186 -7.118 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.107 -6.193 -8.151 1.00 0.00 O ATOM 0 H ASP A 39 10.759 -5.404 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 39 11.040 -7.243 -9.647 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.867 -7.772 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.721 -8.221 -8.227 1.00 0.00 H new ATOM 603 N ASN A 40 9.493 -8.500 -7.003 1.00 0.00 N ATOM 604 CA ASN A 40 8.686 -9.591 -6.492 1.00 0.00 C ATOM 605 C ASN A 40 7.189 -9.287 -6.654 1.00 0.00 C ATOM 606 O ASN A 40 6.361 -9.936 -6.026 1.00 0.00 O ATOM 607 CB ASN A 40 9.078 -9.899 -5.047 1.00 0.00 C ATOM 608 CG ASN A 40 9.070 -11.397 -4.744 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.026 -12.022 -4.608 1.00 0.00 O ATOM 610 ND2 ASN A 40 10.254 -11.995 -4.621 1.00 0.00 N ATOM 0 H ASN A 40 9.705 -7.784 -6.309 1.00 0.00 H new ATOM 0 HA ASN A 40 8.880 -10.490 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.072 -9.497 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.390 -9.391 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.302 -12.992 -4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.112 -11.456 -4.738 1.00 0.00 H new ATOM 617 N GLN A 41 6.857 -8.260 -7.454 1.00 0.00 N ATOM 618 CA GLN A 41 5.521 -7.730 -7.690 1.00 0.00 C ATOM 619 C GLN A 41 4.657 -7.713 -6.419 1.00 0.00 C ATOM 620 O GLN A 41 3.575 -8.300 -6.341 1.00 0.00 O ATOM 621 CB GLN A 41 4.912 -8.415 -8.931 1.00 0.00 C ATOM 622 CG GLN A 41 5.018 -7.479 -10.143 1.00 0.00 C ATOM 623 CD GLN A 41 4.599 -8.128 -11.458 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.866 -9.107 -11.490 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.062 -7.581 -12.579 1.00 0.00 N ATOM 0 H GLN A 41 7.566 -7.752 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 41 5.574 -6.669 -7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.434 -9.350 -9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.868 -8.667 -8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.397 -6.600 -9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.047 -7.130 -10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.672 -6.765 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.807 -7.978 -13.483 1.00 0.00 H new ATOM 634 N GLU A 42 5.146 -7.002 -5.396 1.00 0.00 N ATOM 635 CA GLU A 42 4.523 -6.965 -4.087 1.00 0.00 C ATOM 636 C GLU A 42 4.722 -5.585 -3.484 1.00 0.00 C ATOM 637 O GLU A 42 5.770 -4.967 -3.667 1.00 0.00 O ATOM 638 CB GLU A 42 5.081 -8.080 -3.192 1.00 0.00 C ATOM 639 CG GLU A 42 4.310 -8.148 -1.869 1.00 0.00 C ATOM 640 CD GLU A 42 4.587 -9.434 -1.111 1.00 0.00 C ATOM 641 OE1 GLU A 42 3.820 -10.395 -1.329 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.503 -9.431 -0.264 1.00 0.00 O ATOM 0 H GLU A 42 5.992 -6.435 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 42 3.452 -7.146 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.012 -9.037 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.138 -7.900 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.583 -7.295 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.241 -8.068 -2.068 1.00 0.00 H new ATOM 649 N ALA A 43 3.700 -5.101 -2.783 1.00 0.00 N ATOM 650 CA ALA A 43 3.608 -3.745 -2.303 1.00 0.00 C ATOM 651 C ALA A 43 3.293 -3.735 -0.811 1.00 0.00 C ATOM 652 O ALA A 43 2.315 -4.331 -0.365 1.00 0.00 O ATOM 653 CB ALA A 43 2.578 -2.995 -3.149 1.00 0.00 C ATOM 0 H ALA A 43 2.891 -5.669 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 43 4.561 -3.227 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.498 -1.967 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.893 -2.998 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.609 -3.485 -3.061 1.00 0.00 H new ATOM 659 N THR A 44 4.152 -3.074 -0.038 1.00 0.00 N ATOM 660 CA THR A 44 4.001 -2.865 1.388 1.00 0.00 C ATOM 661 C THR A 44 3.345 -1.509 1.589 1.00 0.00 C ATOM 662 O THR A 44 3.864 -0.518 1.081 1.00 0.00 O ATOM 663 CB THR A 44 5.393 -2.837 2.031 1.00 0.00 C ATOM 664 OG1 THR A 44 6.184 -3.894 1.529 1.00 0.00 O ATOM 665 CG2 THR A 44 5.291 -2.931 3.553 1.00 0.00 C ATOM 0 H THR A 44 5.005 -2.655 -0.410 1.00 0.00 H new ATOM 0 HA THR A 44 3.401 -3.657 1.835 1.00 0.00 H new ATOM 0 HB THR A 44 5.867 -1.889 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.604 -3.617 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.291 -2.909 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.713 -2.088 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.797 -3.863 3.828 1.00 0.00 H new ATOM 673 N ILE A 45 2.256 -1.438 2.352 1.00 0.00 N ATOM 674 CA ILE A 45 1.661 -0.176 2.766 1.00 0.00 C ATOM 675 C ILE A 45 1.571 -0.230 4.288 1.00 0.00 C ATOM 676 O ILE A 45 1.054 -1.215 4.812 1.00 0.00 O ATOM 677 CB ILE A 45 0.281 -0.017 2.107 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.318 -0.145 0.571 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.342 1.323 2.506 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.920 1.055 -0.151 1.00 0.00 C ATOM 0 H ILE A 45 1.762 -2.260 2.700 1.00 0.00 H new ATOM 0 HA ILE A 45 2.252 0.687 2.459 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.333 -0.840 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.889 -1.035 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.698 -0.299 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.319 1.425 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.457 1.363 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.306 2.137 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.905 0.878 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.337 1.947 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.949 1.199 0.179 1.00 0.00 H new ATOM 692 N VAL A 46 2.117 0.769 4.993 1.00 0.00 N ATOM 693 CA VAL A 46 2.143 0.778 6.457 1.00 0.00 C ATOM 694 C VAL A 46 1.419 2.007 7.001 1.00 0.00 C ATOM 695 O VAL A 46 1.886 3.140 6.844 1.00 0.00 O ATOM 696 CB VAL A 46 3.573 0.701 7.005 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.558 0.241 8.465 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.434 -0.252 6.177 1.00 0.00 C ATOM 0 H VAL A 46 2.550 1.588 4.566 1.00 0.00 H new ATOM 0 HA VAL A 46 1.618 -0.114 6.798 1.00 0.00 H new ATOM 0 HB VAL A 46 4.006 1.699 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.580 0.191 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.985 0.949 9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.098 -0.745 8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.442 -0.285 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.999 -1.251 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.476 0.099 5.146 1.00 0.00 H new ATOM 708 N TYR A 47 0.276 1.787 7.652 1.00 0.00 N ATOM 709 CA TYR A 47 -0.566 2.884 8.094 1.00 0.00 C ATOM 710 C TYR A 47 -1.008 2.721 9.538 1.00 0.00 C ATOM 711 O TYR A 47 -0.820 1.673 10.151 1.00 0.00 O ATOM 712 CB TYR A 47 -1.746 3.049 7.131 1.00 0.00 C ATOM 713 CG TYR A 47 -2.778 1.938 7.183 1.00 0.00 C ATOM 714 CD1 TYR A 47 -3.795 1.969 8.156 1.00 0.00 C ATOM 715 CD2 TYR A 47 -2.756 0.900 6.234 1.00 0.00 C ATOM 716 CE1 TYR A 47 -4.768 0.960 8.194 1.00 0.00 C ATOM 717 CE2 TYR A 47 -3.752 -0.091 6.252 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.731 -0.080 7.259 1.00 0.00 C ATOM 719 OH TYR A 47 -5.636 -1.090 7.354 1.00 0.00 O ATOM 0 H TYR A 47 -0.082 0.860 7.881 1.00 0.00 H new ATOM 0 HA TYR A 47 0.020 3.803 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.242 3.995 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.359 3.117 6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.826 2.773 8.876 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.973 0.865 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.545 0.986 8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.765 -0.859 5.493 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.466 -0.750 7.749 1.00 0.00 H new ATOM 729 N GLN A 48 -1.586 3.796 10.071 1.00 0.00 N ATOM 730 CA GLN A 48 -2.006 3.904 11.449 1.00 0.00 C ATOM 731 C GLN A 48 -3.462 3.441 11.570 1.00 0.00 C ATOM 732 O GLN A 48 -4.347 4.101 11.015 1.00 0.00 O ATOM 733 CB GLN A 48 -1.819 5.367 11.864 1.00 0.00 C ATOM 734 CG GLN A 48 -1.793 5.463 13.397 1.00 0.00 C ATOM 735 CD GLN A 48 -1.268 6.795 13.920 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.948 7.703 13.160 1.00 0.00 O ATOM 737 NE2 GLN A 48 -1.162 6.918 15.240 1.00 0.00 N ATOM 0 H GLN A 48 -1.777 4.639 9.529 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.417 3.270 12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.891 5.759 11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.629 5.976 11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.802 5.305 13.779 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.173 4.658 13.792 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.436 6.146 15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.807 7.784 15.645 1.00 0.00 H new ATOM 746 N PRO A 49 -3.739 2.316 12.256 1.00 0.00 N ATOM 747 CA PRO A 49 -5.054 1.691 12.249 1.00 0.00 C ATOM 748 C PRO A 49 -6.039 2.484 13.110 1.00 0.00 C ATOM 749 O PRO A 49 -6.365 2.093 14.227 1.00 0.00 O ATOM 750 CB PRO A 49 -4.830 0.264 12.762 1.00 0.00 C ATOM 751 CG PRO A 49 -3.632 0.417 13.698 1.00 0.00 C ATOM 752 CD PRO A 49 -2.799 1.512 13.029 1.00 0.00 C ATOM 0 HA PRO A 49 -5.501 1.673 11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.706 -0.118 13.287 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.619 -0.429 11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.941 0.704 14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.073 -0.514 13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.285 2.120 13.773 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.033 1.081 12.385 1.00 0.00 H new ATOM 760 N HIS A 50 -6.508 3.600 12.555 1.00 0.00 N ATOM 761 CA HIS A 50 -7.536 4.481 13.087 1.00 0.00 C ATOM 762 C HIS A 50 -7.810 5.574 12.058 1.00 0.00 C ATOM 763 O HIS A 50 -8.967 5.874 11.773 1.00 0.00 O ATOM 764 CB HIS A 50 -7.119 5.107 14.431 1.00 0.00 C ATOM 765 CG HIS A 50 -7.656 4.381 15.641 1.00 0.00 C ATOM 766 ND1 HIS A 50 -6.911 3.759 16.616 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.976 4.242 15.978 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.769 3.254 17.520 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.039 3.528 17.179 1.00 0.00 N ATOM 0 H HIS A 50 -6.152 3.932 11.659 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.437 3.897 13.276 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.031 5.129 14.487 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.461 6.142 14.460 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.819 4.617 15.416 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.476 2.703 18.401 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.881 3.268 17.693 1.00 0.00 H new ATOM 777 N LEU A 51 -6.752 6.185 11.515 1.00 0.00 N ATOM 778 CA LEU A 51 -6.915 7.328 10.628 1.00 0.00 C ATOM 779 C LEU A 51 -7.381 6.892 9.239 1.00 0.00 C ATOM 780 O LEU A 51 -8.258 7.522 8.654 1.00 0.00 O ATOM 781 CB LEU A 51 -5.615 8.124 10.559 1.00 0.00 C ATOM 782 CG LEU A 51 -5.231 8.777 11.902 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.760 9.201 11.880 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.083 10.018 12.200 1.00 0.00 C ATOM 0 H LEU A 51 -5.784 5.906 11.676 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.692 7.975 11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.809 7.464 10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.711 8.900 9.799 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.407 8.033 12.679 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.500 9.661 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.131 8.326 11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.600 9.919 11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.780 10.447 13.155 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.941 10.755 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.134 9.735 12.247 1.00 0.00 H new ATOM 796 N ILE A 52 -6.779 5.826 8.707 1.00 0.00 N ATOM 797 CA ILE A 52 -7.021 5.305 7.378 1.00 0.00 C ATOM 798 C ILE A 52 -7.186 3.782 7.488 1.00 0.00 C ATOM 799 O ILE A 52 -6.936 3.222 8.555 1.00 0.00 O ATOM 800 CB ILE A 52 -5.849 5.774 6.488 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.345 6.418 5.200 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.790 4.705 6.218 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.475 7.937 5.347 1.00 0.00 C ATOM 0 H ILE A 52 -6.082 5.286 9.220 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.937 5.672 6.915 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.335 6.536 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.656 6.188 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.311 5.993 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.006 5.121 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.358 4.375 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.251 3.856 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.831 8.364 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.184 8.166 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.503 8.363 5.594 1.00 0.00 H new ATOM 815 N SER A 53 -7.629 3.115 6.416 1.00 0.00 N ATOM 816 CA SER A 53 -7.986 1.701 6.426 1.00 0.00 C ATOM 817 C SER A 53 -7.479 0.995 5.167 1.00 0.00 C ATOM 818 O SER A 53 -7.164 1.650 4.170 1.00 0.00 O ATOM 819 CB SER A 53 -9.513 1.593 6.503 1.00 0.00 C ATOM 820 OG SER A 53 -10.084 2.146 5.330 1.00 0.00 O ATOM 0 H SER A 53 -7.750 3.555 5.504 1.00 0.00 H new ATOM 0 HA SER A 53 -7.522 1.218 7.286 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.810 0.549 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.882 2.119 7.383 1.00 0.00 H new ATOM 0 HG SER A 53 -11.060 2.076 5.377 1.00 0.00 H new ATOM 826 N VAL A 54 -7.464 -0.346 5.202 1.00 0.00 N ATOM 827 CA VAL A 54 -7.207 -1.198 4.043 1.00 0.00 C ATOM 828 C VAL A 54 -7.958 -0.689 2.816 1.00 0.00 C ATOM 829 O VAL A 54 -7.394 -0.630 1.726 1.00 0.00 O ATOM 830 CB VAL A 54 -7.618 -2.659 4.311 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.431 -3.493 3.037 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.808 -3.316 5.432 1.00 0.00 C ATOM 0 H VAL A 54 -7.634 -0.875 6.058 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.134 -1.162 3.856 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.663 -2.631 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.723 -4.525 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.052 -3.084 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.385 -3.463 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.146 -4.343 5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.751 -3.315 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.950 -2.759 6.358 1.00 0.00 H new ATOM 842 N GLU A 55 -9.246 -0.383 2.988 1.00 0.00 N ATOM 843 CA GLU A 55 -10.089 0.012 1.878 1.00 0.00 C ATOM 844 C GLU A 55 -9.536 1.281 1.237 1.00 0.00 C ATOM 845 O GLU A 55 -9.330 1.276 0.037 1.00 0.00 O ATOM 846 CB GLU A 55 -11.551 0.092 2.321 1.00 0.00 C ATOM 847 CG GLU A 55 -12.562 0.251 1.171 1.00 0.00 C ATOM 848 CD GLU A 55 -12.912 1.704 0.877 1.00 0.00 C ATOM 849 OE1 GLU A 55 -11.967 2.503 0.731 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.113 2.024 0.780 1.00 0.00 O ATOM 0 H GLU A 55 -9.721 -0.404 3.891 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.075 -0.744 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.797 -0.810 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.664 0.933 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.153 -0.207 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.474 -0.293 1.419 1.00 0.00 H new ATOM 857 N GLU A 56 -9.219 2.333 1.998 1.00 0.00 N ATOM 858 CA GLU A 56 -8.656 3.545 1.439 1.00 0.00 C ATOM 859 C GLU A 56 -7.390 3.205 0.666 1.00 0.00 C ATOM 860 O GLU A 56 -7.267 3.602 -0.489 1.00 0.00 O ATOM 861 CB GLU A 56 -8.403 4.592 2.535 1.00 0.00 C ATOM 862 CG GLU A 56 -9.490 5.673 2.526 1.00 0.00 C ATOM 863 CD GLU A 56 -9.437 6.499 1.243 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.406 7.175 1.040 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.411 6.399 0.463 1.00 0.00 O ATOM 0 H GLU A 56 -9.348 2.360 3.009 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.369 3.990 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.379 4.104 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.427 5.052 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.471 5.207 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.363 6.327 3.388 1.00 0.00 H new ATOM 872 N MET A 57 -6.468 2.441 1.268 1.00 0.00 N ATOM 873 CA MET A 57 -5.308 1.969 0.551 1.00 0.00 C ATOM 874 C MET A 57 -5.699 1.334 -0.794 1.00 0.00 C ATOM 875 O MET A 57 -5.302 1.835 -1.841 1.00 0.00 O ATOM 876 CB MET A 57 -4.477 1.065 1.436 1.00 0.00 C ATOM 877 CG MET A 57 -4.058 1.692 2.770 1.00 0.00 C ATOM 878 SD MET A 57 -3.100 3.237 2.814 1.00 0.00 S ATOM 879 CE MET A 57 -4.372 4.502 2.619 1.00 0.00 C ATOM 0 H MET A 57 -6.515 2.146 2.243 1.00 0.00 H new ATOM 0 HA MET A 57 -4.675 2.818 0.294 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.043 0.156 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.581 0.768 0.891 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.969 1.864 3.343 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.480 0.941 3.309 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.018 5.442 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.590 4.639 1.560 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.278 4.190 3.138 1.00 0.00 H new ATOM 889 N LYS A 58 -6.500 0.263 -0.793 1.00 0.00 N ATOM 890 CA LYS A 58 -6.941 -0.350 -2.038 1.00 0.00 C ATOM 891 C LYS A 58 -7.666 0.624 -2.947 1.00 0.00 C ATOM 892 O LYS A 58 -7.181 0.849 -4.040 1.00 0.00 O ATOM 893 CB LYS A 58 -7.680 -1.669 -1.824 1.00 0.00 C ATOM 894 CG LYS A 58 -8.654 -2.002 -2.962 1.00 0.00 C ATOM 895 CD LYS A 58 -9.091 -3.471 -3.009 1.00 0.00 C ATOM 896 CE LYS A 58 -7.899 -4.377 -3.368 1.00 0.00 C ATOM 897 NZ LYS A 58 -8.259 -5.455 -4.309 1.00 0.00 N ATOM 0 H LYS A 58 -6.850 -0.190 0.051 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.036 -0.624 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.953 -2.475 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.230 -1.623 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.540 -1.375 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.186 -1.744 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.501 -3.766 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.886 -3.597 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.107 -3.770 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.496 -4.817 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.405 -5.990 -4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.945 -6.094 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.680 -5.042 -5.165 1.00 0.00 H new ATOM 911 N LYS A 59 -8.818 1.157 -2.555 1.00 0.00 N ATOM 912 CA LYS A 59 -9.603 2.090 -3.342 1.00 0.00 C ATOM 913 C LYS A 59 -8.678 3.084 -4.041 1.00 0.00 C ATOM 914 O LYS A 59 -8.733 3.228 -5.259 1.00 0.00 O ATOM 915 CB LYS A 59 -10.624 2.813 -2.451 1.00 0.00 C ATOM 916 CG LYS A 59 -11.783 3.376 -3.288 1.00 0.00 C ATOM 917 CD LYS A 59 -12.197 4.807 -2.907 1.00 0.00 C ATOM 918 CE LYS A 59 -13.028 4.914 -1.618 1.00 0.00 C ATOM 919 NZ LYS A 59 -12.231 4.740 -0.390 1.00 0.00 N ATOM 0 H LYS A 59 -9.241 0.942 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.156 1.541 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.013 2.122 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.133 3.623 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.498 3.360 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.646 2.719 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.298 5.413 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.770 5.236 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.517 5.888 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.817 4.162 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.780 5.069 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.996 3.734 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.354 5.294 -0.464 1.00 0.00 H new ATOM 933 N GLN A 60 -7.792 3.728 -3.275 1.00 0.00 N ATOM 934 CA GLN A 60 -6.889 4.714 -3.854 1.00 0.00 C ATOM 935 C GLN A 60 -5.882 4.072 -4.819 1.00 0.00 C ATOM 936 O GLN A 60 -5.550 4.660 -5.846 1.00 0.00 O ATOM 937 CB GLN A 60 -6.184 5.469 -2.733 1.00 0.00 C ATOM 938 CG GLN A 60 -7.180 6.269 -1.875 1.00 0.00 C ATOM 939 CD GLN A 60 -7.618 7.565 -2.549 1.00 0.00 C ATOM 940 OE1 GLN A 60 -8.508 7.572 -3.394 1.00 0.00 O ATOM 941 NE2 GLN A 60 -6.985 8.683 -2.203 1.00 0.00 N ATOM 0 H GLN A 60 -7.685 3.585 -2.271 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.474 5.418 -4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.644 4.763 -2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.444 6.146 -3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.057 5.654 -1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.723 6.500 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.248 8.655 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.237 9.568 -2.642 1.00 0.00 H new ATOM 950 N ILE A 61 -5.367 2.886 -4.492 1.00 0.00 N ATOM 951 CA ILE A 61 -4.431 2.161 -5.342 1.00 0.00 C ATOM 952 C ILE A 61 -5.129 1.616 -6.587 1.00 0.00 C ATOM 953 O ILE A 61 -4.793 2.029 -7.696 1.00 0.00 O ATOM 954 CB ILE A 61 -3.684 1.094 -4.535 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.763 1.867 -3.574 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.908 0.169 -5.484 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.013 0.968 -2.601 1.00 0.00 C ATOM 0 H ILE A 61 -5.591 2.401 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.671 2.851 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.354 0.446 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.042 2.441 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.359 2.584 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.379 -0.587 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.604 -0.319 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.189 0.755 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.383 1.578 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.728 0.413 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.390 0.268 -3.158 1.00 0.00 H new ATOM 969 N GLU A 62 -6.091 0.700 -6.428 1.00 0.00 N ATOM 970 CA GLU A 62 -6.924 0.221 -7.507 1.00 0.00 C ATOM 971 C GLU A 62 -7.415 1.361 -8.409 1.00 0.00 C ATOM 972 O GLU A 62 -7.420 1.188 -9.625 1.00 0.00 O ATOM 973 CB GLU A 62 -8.082 -0.592 -6.908 1.00 0.00 C ATOM 974 CG GLU A 62 -8.057 -2.034 -7.417 1.00 0.00 C ATOM 975 CD GLU A 62 -9.152 -2.882 -6.786 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.271 -2.358 -6.612 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.832 -4.037 -6.427 1.00 0.00 O ATOM 0 H GLU A 62 -6.306 0.272 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.335 -0.425 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.012 -0.585 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.032 -0.126 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.175 -2.038 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.085 -2.478 -7.201 1.00 0.00 H new ATOM 984 N ALA A 63 -7.779 2.529 -7.851 1.00 0.00 N ATOM 985 CA ALA A 63 -8.200 3.670 -8.665 1.00 0.00 C ATOM 986 C ALA A 63 -7.198 4.025 -9.770 1.00 0.00 C ATOM 987 O ALA A 63 -7.609 4.468 -10.840 1.00 0.00 O ATOM 988 CB ALA A 63 -8.456 4.900 -7.794 1.00 0.00 C ATOM 0 H ALA A 63 -7.788 2.702 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.126 3.363 -9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.767 5.733 -8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.242 4.677 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.542 5.167 -7.264 1.00 0.00 H new ATOM 994 N MET A 64 -5.895 3.852 -9.528 1.00 0.00 N ATOM 995 CA MET A 64 -4.885 4.083 -10.544 1.00 0.00 C ATOM 996 C MET A 64 -5.077 3.140 -11.738 1.00 0.00 C ATOM 997 O MET A 64 -4.829 3.530 -12.877 1.00 0.00 O ATOM 998 CB MET A 64 -3.497 3.886 -9.943 1.00 0.00 C ATOM 999 CG MET A 64 -3.137 4.826 -8.790 1.00 0.00 C ATOM 1000 SD MET A 64 -3.282 6.600 -9.136 1.00 0.00 S ATOM 1001 CE MET A 64 -2.500 7.290 -7.660 1.00 0.00 C ATOM 0 H MET A 64 -5.521 3.550 -8.628 1.00 0.00 H new ATOM 0 HA MET A 64 -4.986 5.108 -10.902 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.416 2.858 -9.589 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.757 4.010 -10.734 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.777 4.588 -7.940 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.111 4.618 -8.485 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.509 8.378 -7.719 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.049 6.970 -6.774 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.470 6.939 -7.596 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.494 1.897 -11.471 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.744 0.868 -12.474 1.00 0.00 C ATOM 1013 C GLY A 65 -5.046 -0.442 -12.110 1.00 0.00 C ATOM 1014 O GLY A 65 -5.287 -1.474 -12.729 1.00 0.00 O ATOM 0 H GLY A 65 -5.671 1.574 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.817 0.698 -12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.393 1.212 -13.447 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.161 -0.399 -11.114 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.298 -1.503 -10.740 1.00 0.00 C ATOM 1020 C PHE A 66 -4.052 -2.442 -9.794 1.00 0.00 C ATOM 1021 O PHE A 66 -4.374 -2.023 -8.682 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.076 -0.904 -10.042 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.396 0.216 -10.810 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.111 0.094 -12.183 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.156 1.437 -10.160 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.683 1.217 -12.912 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.657 2.538 -10.873 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.496 2.449 -12.264 1.00 0.00 C ATOM 0 H PHE A 66 -4.026 0.429 -10.534 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.990 -2.080 -11.612 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.380 -0.525 -9.066 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.350 -1.698 -9.864 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.221 -0.861 -12.676 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.357 1.530 -9.103 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.498 1.132 -13.973 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.398 3.449 -10.354 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.229 3.326 -12.835 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.340 -3.694 -10.180 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.012 -4.622 -9.290 1.00 0.00 C ATOM 1040 C PRO A 67 -4.065 -4.968 -8.141 1.00 0.00 C ATOM 1041 O PRO A 67 -2.862 -5.123 -8.364 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.347 -5.840 -10.155 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.231 -5.841 -11.199 1.00 0.00 C ATOM 1044 CD PRO A 67 -3.941 -4.354 -11.414 1.00 0.00 C ATOM 0 HA PRO A 67 -5.920 -4.220 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.353 -6.760 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.330 -5.749 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.349 -6.374 -10.844 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.546 -6.326 -12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.884 -4.187 -11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.500 -3.965 -12.265 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.599 -5.069 -6.916 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.802 -5.353 -5.732 1.00 0.00 C ATOM 1054 C ALA A 68 -4.499 -6.365 -4.820 1.00 0.00 C ATOM 1055 O ALA A 68 -5.718 -6.288 -4.627 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.506 -4.060 -4.976 1.00 0.00 C ATOM 0 H ALA A 68 -5.595 -4.955 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.860 -5.796 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.909 -4.284 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.954 -3.378 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.443 -3.593 -4.672 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.730 -7.295 -4.241 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.227 -8.372 -3.392 1.00 0.00 C ATOM 1064 C PHE A 69 -3.750 -8.174 -1.958 1.00 0.00 C ATOM 1065 O PHE A 69 -2.863 -8.885 -1.489 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.794 -9.722 -3.963 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.768 -10.318 -4.953 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.895 -11.014 -4.476 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.538 -10.217 -6.338 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.775 -11.631 -5.379 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.421 -10.836 -7.240 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.535 -11.549 -6.761 1.00 0.00 C ATOM 0 H PHE A 69 -2.717 -7.315 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.317 -8.355 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.826 -9.604 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.654 -10.424 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.083 -11.073 -3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.686 -9.666 -6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.637 -12.169 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.244 -10.764 -8.303 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.206 -12.033 -7.455 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.361 -7.202 -1.281 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.153 -6.864 0.122 1.00 0.00 C ATOM 1084 C VAL A 70 -4.623 -7.985 1.053 1.00 0.00 C ATOM 1085 O VAL A 70 -5.823 -8.163 1.242 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.757 -5.481 0.397 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.274 -5.458 0.314 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.285 -4.939 1.748 1.00 0.00 C ATOM 0 H VAL A 70 -5.053 -6.597 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.089 -6.785 0.343 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.394 -4.829 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.634 -4.450 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.588 -5.759 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.689 -6.148 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.726 -3.957 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.593 -5.620 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.198 -4.853 1.746 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.696 -8.770 1.618 1.00 0.00 N ATOM 1099 CA LYS A 71 -4.065 -9.834 2.541 1.00 0.00 C ATOM 1100 C LYS A 71 -2.934 -10.256 3.491 1.00 0.00 C ATOM 1101 O LYS A 71 -2.611 -11.440 3.578 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.644 -11.005 1.746 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.640 -11.524 0.725 1.00 0.00 C ATOM 1104 CD LYS A 71 -4.247 -12.710 -0.039 1.00 0.00 C ATOM 1105 CE LYS A 71 -3.179 -13.615 -0.677 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.532 -15.048 -0.556 1.00 0.00 N ATOM 0 H LYS A 71 -2.694 -8.684 1.449 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.831 -9.446 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.923 -11.809 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.554 -10.688 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.371 -10.730 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.723 -11.833 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.858 -13.301 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.911 -12.334 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.064 -13.356 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.217 -13.436 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.789 -15.627 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.617 -15.301 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.438 -15.224 -1.035 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.338 -9.323 4.242 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.250 -9.681 5.149 1.00 0.00 C ATOM 1122 C LYS A 72 -1.076 -8.625 6.244 1.00 0.00 C ATOM 1123 O LYS A 72 -0.209 -7.760 6.138 1.00 0.00 O ATOM 1124 CB LYS A 72 0.021 -9.923 4.321 1.00 0.00 C ATOM 1125 CG LYS A 72 1.102 -10.715 5.068 1.00 0.00 C ATOM 1126 CD LYS A 72 1.915 -11.560 4.073 1.00 0.00 C ATOM 1127 CE LYS A 72 3.040 -12.312 4.799 1.00 0.00 C ATOM 1128 NZ LYS A 72 3.496 -13.520 4.089 1.00 0.00 N ATOM 0 H LYS A 72 -2.587 -8.334 4.239 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.484 -10.605 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.246 -10.459 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.433 -8.961 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.762 -10.031 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.641 -11.361 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.260 -12.271 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.338 -10.917 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.887 -11.639 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.694 -12.594 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.255 -13.977 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.700 -14.181 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.856 -13.256 3.150 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.913 -8.691 7.281 1.00 0.00 N ATOM 1143 CA ILE A 73 -2.002 -7.691 8.345 1.00 0.00 C ATOM 1144 C ILE A 73 -0.895 -7.950 9.385 1.00 0.00 C ATOM 1145 O ILE A 73 -1.158 -8.180 10.563 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.444 -7.718 8.907 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.459 -7.411 7.782 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.705 -6.701 10.030 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -5.674 -8.335 7.851 1.00 0.00 C ATOM 0 H ILE A 73 -2.566 -9.464 7.407 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.825 -6.678 7.983 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.564 -8.720 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.785 -6.374 7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.973 -7.521 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.738 -6.787 10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.034 -6.901 10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.528 -5.693 9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.365 -8.089 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.350 -9.371 7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.175 -8.206 8.810 1.00 0.00 H new ATOM 1161 N GLU A 74 0.367 -7.916 8.950 1.00 0.00 N ATOM 1162 CA GLU A 74 1.518 -8.152 9.823 1.00 0.00 C ATOM 1163 C GLU A 74 1.862 -6.879 10.613 1.00 0.00 C ATOM 1164 O GLU A 74 2.931 -6.297 10.446 1.00 0.00 O ATOM 1165 CB GLU A 74 2.697 -8.704 8.998 1.00 0.00 C ATOM 1166 CG GLU A 74 2.823 -10.224 9.130 1.00 0.00 C ATOM 1167 CD GLU A 74 3.941 -10.736 8.236 1.00 0.00 C ATOM 1168 OE1 GLU A 74 3.747 -10.651 7.006 1.00 0.00 O ATOM 1169 OE2 GLU A 74 4.966 -11.190 8.783 1.00 0.00 O ATOM 0 H GLU A 74 0.619 -7.724 7.981 1.00 0.00 H new ATOM 0 HA GLU A 74 1.274 -8.911 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.561 -8.441 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.623 -8.233 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.025 -10.491 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.881 -10.700 8.856 1.00 0.00 H new ATOM 1176 N GLY A 75 0.952 -6.435 11.481 1.00 0.00 N ATOM 1177 CA GLY A 75 1.158 -5.230 12.281 1.00 0.00 C ATOM 1178 C GLY A 75 2.387 -5.328 13.188 1.00 0.00 C ATOM 1179 O GLY A 75 2.591 -6.364 13.825 1.00 0.00 O ATOM 0 H GLY A 75 0.058 -6.897 11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.268 -4.372 11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.274 -5.049 12.892 1.00 0.00 H new ATOM 1183 N ARG A 76 3.206 -4.268 13.251 1.00 0.00 N ATOM 1184 CA ARG A 76 4.428 -4.249 14.044 1.00 0.00 C ATOM 1185 C ARG A 76 4.931 -2.807 14.169 1.00 0.00 C ATOM 1186 O ARG A 76 5.576 -2.503 15.196 1.00 0.00 O ATOM 1187 CB ARG A 76 5.481 -5.167 13.395 1.00 0.00 C ATOM 1188 CG ARG A 76 6.590 -5.548 14.383 1.00 0.00 C ATOM 1189 CD ARG A 76 7.487 -6.643 13.783 1.00 0.00 C ATOM 1190 NE ARG A 76 8.212 -7.397 14.821 1.00 0.00 N ATOM 1191 CZ ARG A 76 7.663 -8.349 15.595 1.00 0.00 C ATOM 1192 NH1 ARG A 76 6.353 -8.606 15.505 1.00 0.00 N ATOM 1193 NH2 ARG A 76 8.423 -9.037 16.456 1.00 0.00 N ATOM 1194 OXT ARG A 76 4.659 -2.015 13.240 1.00 0.00 O ATOM 0 H ARG A 76 3.032 -3.398 12.748 1.00 0.00 H new ATOM 0 HA ARG A 76 4.231 -4.626 15.048 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.997 -6.071 13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.919 -4.665 12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.189 -4.670 14.624 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.150 -5.900 15.316 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.877 -7.330 13.197 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.203 -6.189 13.098 1.00 0.00 H new ATOM 0 HE ARG A 76 9.199 -7.182 14.962 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.774 -8.080 14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.933 -9.328 16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.421 -8.839 16.526 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.004 -9.759 17.042 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 4.299 2.415 -14.930 1.00 0.00 CU