USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 633 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 1 MET N :NH3+ -115:sc= 0.0682 (180deg=-4.93!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.524 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.125) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.00517 X(o=0.0052,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc=-0.00983 (180deg=-0.126) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 16 THR OG1 : rot -61:sc= 0.894 USER MOD Single : A 17 SER OG : rot -64:sc= 0.659 USER MOD Single : A 19 THR OG1 : rot 170:sc= 0.0218 USER MOD Single : A 22 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.43) USER MOD Single : A 23 THR OG1 : rot 160:sc= 1.08 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.8) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 84:sc= 0.525 USER MOD Single : A 47 GLN : amide:sc=-0.00482 X(o=-0.0048,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.0506 K(o=0.051,f=-4.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -90:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.78! K(o=-3.8!,f=-3.2) USER MOD Single : A 70 MET CE :methyl 165:sc= 0 (180deg=-0.276) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.997 -0.507 0.332 1.00 62.21 N ATOM 2 CA MET A 1 1.838 -0.581 -0.857 1.00 43.51 C ATOM 3 C MET A 1 1.197 -1.463 -1.923 1.00 71.03 C ATOM 4 O MET A 1 0.774 -0.978 -2.973 1.00 51.54 O ATOM 5 CB MET A 1 3.223 -1.122 -0.496 1.00 11.31 C ATOM 6 CG MET A 1 4.288 -0.809 -1.534 1.00 52.45 C ATOM 7 SD MET A 1 5.953 -1.189 -0.958 1.00 4.41 S ATOM 8 CE MET A 1 6.755 -1.622 -2.500 1.00 33.41 C ATOM 0 H1 MET A 1 0.660 0.469 0.458 1.00 62.21 H new ATOM 0 H2 MET A 1 0.182 -1.144 0.221 1.00 62.21 H new ATOM 0 H3 MET A 1 1.549 -0.793 1.166 1.00 62.21 H new ATOM 0 HA MET A 1 1.943 0.426 -1.260 1.00 43.51 H new ATOM 0 HB2 MET A 1 3.528 -0.704 0.463 1.00 11.31 H new ATOM 0 HB3 MET A 1 3.160 -2.202 -0.367 1.00 11.31 H new ATOM 0 HG2 MET A 1 4.083 -1.377 -2.441 1.00 52.45 H new ATOM 0 HG3 MET A 1 4.232 0.247 -1.799 1.00 52.45 H new ATOM 0 HE1 MET A 1 7.796 -1.883 -2.308 1.00 33.41 H new ATOM 0 HE2 MET A 1 6.244 -2.474 -2.949 1.00 33.41 H new ATOM 0 HE3 MET A 1 6.713 -0.773 -3.183 1.00 33.41 H new ATOM 18 N LEU A 2 1.128 -2.761 -1.648 1.00 12.45 N ATOM 19 CA LEU A 2 0.538 -3.711 -2.584 1.00 32.44 C ATOM 20 C LEU A 2 -0.822 -4.192 -2.087 1.00 21.22 C ATOM 21 O LEU A 2 -0.937 -4.731 -0.985 1.00 73.54 O ATOM 22 CB LEU A 2 1.472 -4.906 -2.784 1.00 72.13 C ATOM 23 CG LEU A 2 0.883 -6.100 -3.537 1.00 15.32 C ATOM 24 CD1 LEU A 2 1.794 -6.512 -4.682 1.00 44.40 C ATOM 25 CD2 LEU A 2 0.653 -7.268 -2.588 1.00 44.45 C ATOM 0 H LEU A 2 1.473 -3.179 -0.784 1.00 12.45 H new ATOM 0 HA LEU A 2 0.397 -3.204 -3.538 1.00 32.44 H new ATOM 0 HB2 LEU A 2 2.357 -4.564 -3.321 1.00 72.13 H new ATOM 0 HB3 LEU A 2 1.806 -5.249 -1.805 1.00 72.13 H new ATOM 0 HG LEU A 2 -0.079 -5.803 -3.955 1.00 15.32 H new ATOM 0 HD11 LEU A 2 1.358 -7.363 -5.206 1.00 44.40 H new ATOM 0 HD12 LEU A 2 1.907 -5.678 -5.375 1.00 44.40 H new ATOM 0 HD13 LEU A 2 2.771 -6.791 -4.287 1.00 44.40 H new ATOM 0 HD21 LEU A 2 0.234 -8.109 -3.141 1.00 44.45 H new ATOM 0 HD22 LEU A 2 1.601 -7.565 -2.140 1.00 44.45 H new ATOM 0 HD23 LEU A 2 -0.041 -6.968 -1.803 1.00 44.45 H new ATOM 37 N LEU A 3 -1.849 -3.995 -2.906 1.00 64.44 N ATOM 38 CA LEU A 3 -3.201 -4.411 -2.552 1.00 13.03 C ATOM 39 C LEU A 3 -3.917 -5.019 -3.754 1.00 21.13 C ATOM 40 O LEU A 3 -3.671 -4.634 -4.897 1.00 10.31 O ATOM 41 CB LEU A 3 -3.999 -3.220 -2.018 1.00 44.41 C ATOM 42 CG LEU A 3 -4.685 -2.346 -3.069 1.00 61.41 C ATOM 43 CD1 LEU A 3 -5.634 -1.360 -2.407 1.00 32.25 C ATOM 44 CD2 LEU A 3 -3.651 -1.612 -3.910 1.00 1.53 C ATOM 0 H LEU A 3 -1.771 -3.550 -3.820 1.00 64.44 H new ATOM 0 HA LEU A 3 -3.128 -5.171 -1.774 1.00 13.03 H new ATOM 0 HB2 LEU A 3 -4.760 -3.596 -1.334 1.00 44.41 H new ATOM 0 HB3 LEU A 3 -3.327 -2.591 -1.434 1.00 44.41 H new ATOM 0 HG LEU A 3 -5.267 -2.992 -3.727 1.00 61.41 H new ATOM 0 HD11 LEU A 3 -6.113 -0.747 -3.171 1.00 32.25 H new ATOM 0 HD12 LEU A 3 -6.395 -1.906 -1.850 1.00 32.25 H new ATOM 0 HD13 LEU A 3 -5.075 -0.719 -1.725 1.00 32.25 H new ATOM 0 HD21 LEU A 3 -4.157 -0.995 -4.652 1.00 1.53 H new ATOM 0 HD22 LEU A 3 -3.042 -0.978 -3.266 1.00 1.53 H new ATOM 0 HD23 LEU A 3 -3.012 -2.336 -4.415 1.00 1.53 H new ATOM 56 N LYS A 4 -4.805 -5.970 -3.488 1.00 35.44 N ATOM 57 CA LYS A 4 -5.561 -6.630 -4.546 1.00 23.41 C ATOM 58 C LYS A 4 -7.032 -6.230 -4.496 1.00 4.14 C ATOM 59 O LYS A 4 -7.757 -6.607 -3.575 1.00 61.12 O ATOM 60 CB LYS A 4 -5.430 -8.150 -4.422 1.00 74.21 C ATOM 61 CG LYS A 4 -6.390 -8.918 -5.315 1.00 42.31 C ATOM 62 CD LYS A 4 -6.211 -10.419 -5.165 1.00 63.15 C ATOM 63 CE LYS A 4 -5.031 -10.924 -5.982 1.00 41.22 C ATOM 64 NZ LYS A 4 -4.903 -12.406 -5.915 1.00 12.02 N ATOM 0 H LYS A 4 -5.019 -6.302 -2.548 1.00 35.44 H new ATOM 0 HA LYS A 4 -5.150 -6.312 -5.504 1.00 23.41 H new ATOM 0 HB2 LYS A 4 -4.408 -8.439 -4.667 1.00 74.21 H new ATOM 0 HB3 LYS A 4 -5.602 -8.438 -3.385 1.00 74.21 H new ATOM 0 HG2 LYS A 4 -7.416 -8.646 -5.066 1.00 42.31 H new ATOM 0 HG3 LYS A 4 -6.228 -8.633 -6.355 1.00 42.31 H new ATOM 0 HD2 LYS A 4 -6.059 -10.665 -4.114 1.00 63.15 H new ATOM 0 HD3 LYS A 4 -7.120 -10.929 -5.484 1.00 63.15 H new ATOM 0 HE2 LYS A 4 -5.151 -10.617 -7.021 1.00 41.22 H new ATOM 0 HE3 LYS A 4 -4.113 -10.463 -5.617 1.00 41.22 H new ATOM 0 HZ1 LYS A 4 -4.088 -12.710 -6.484 1.00 12.02 H new ATOM 0 HZ2 LYS A 4 -4.763 -12.698 -4.927 1.00 12.02 H new ATOM 0 HZ3 LYS A 4 -5.769 -12.846 -6.287 1.00 12.02 H new ATOM 78 N VAL A 5 -7.466 -5.465 -5.492 1.00 14.42 N ATOM 79 CA VAL A 5 -8.852 -5.015 -5.562 1.00 63.43 C ATOM 80 C VAL A 5 -9.650 -5.849 -6.559 1.00 3.24 C ATOM 81 O VAL A 5 -9.274 -5.971 -7.725 1.00 23.44 O ATOM 82 CB VAL A 5 -8.941 -3.531 -5.964 1.00 24.12 C ATOM 83 CG1 VAL A 5 -8.343 -2.648 -4.879 1.00 55.42 C ATOM 84 CG2 VAL A 5 -8.245 -3.297 -7.296 1.00 61.53 C ATOM 0 H VAL A 5 -6.879 -5.144 -6.262 1.00 14.42 H new ATOM 0 HA VAL A 5 -9.276 -5.140 -4.566 1.00 63.43 H new ATOM 0 HB VAL A 5 -9.992 -3.266 -6.078 1.00 24.12 H new ATOM 0 HG11 VAL A 5 -8.414 -1.603 -5.180 1.00 55.42 H new ATOM 0 HG12 VAL A 5 -8.890 -2.796 -3.948 1.00 55.42 H new ATOM 0 HG13 VAL A 5 -7.296 -2.912 -4.731 1.00 55.42 H new ATOM 0 HG21 VAL A 5 -8.318 -2.243 -7.564 1.00 61.53 H new ATOM 0 HG22 VAL A 5 -7.195 -3.578 -7.212 1.00 61.53 H new ATOM 0 HG23 VAL A 5 -8.722 -3.902 -8.067 1.00 61.53 H new ATOM 94 N LYS A 6 -10.755 -6.421 -6.092 1.00 44.41 N ATOM 95 CA LYS A 6 -11.609 -7.242 -6.942 1.00 1.04 C ATOM 96 C LYS A 6 -13.042 -6.719 -6.940 1.00 21.54 C ATOM 97 O LYS A 6 -13.675 -6.616 -5.888 1.00 40.43 O ATOM 98 CB LYS A 6 -11.585 -8.697 -6.469 1.00 62.41 C ATOM 99 CG LYS A 6 -12.063 -8.881 -5.039 1.00 40.32 C ATOM 100 CD LYS A 6 -11.664 -10.239 -4.487 1.00 61.15 C ATOM 101 CE LYS A 6 -12.344 -11.370 -5.244 1.00 51.32 C ATOM 102 NZ LYS A 6 -12.563 -12.562 -4.380 1.00 31.51 N ATOM 0 H LYS A 6 -11.080 -6.331 -5.129 1.00 44.41 H new ATOM 0 HA LYS A 6 -11.224 -7.191 -7.960 1.00 1.04 H new ATOM 0 HB2 LYS A 6 -12.210 -9.296 -7.132 1.00 62.41 H new ATOM 0 HB3 LYS A 6 -10.569 -9.081 -6.556 1.00 62.41 H new ATOM 0 HG2 LYS A 6 -11.644 -8.095 -4.411 1.00 40.32 H new ATOM 0 HG3 LYS A 6 -13.147 -8.776 -5.001 1.00 40.32 H new ATOM 0 HD2 LYS A 6 -10.582 -10.356 -4.551 1.00 61.15 H new ATOM 0 HD3 LYS A 6 -11.929 -10.296 -3.431 1.00 61.15 H new ATOM 0 HE2 LYS A 6 -13.301 -11.023 -5.633 1.00 51.32 H new ATOM 0 HE3 LYS A 6 -11.734 -11.651 -6.102 1.00 51.32 H new ATOM 0 HZ1 LYS A 6 -12.034 -13.371 -4.764 1.00 31.51 H new ATOM 0 HZ2 LYS A 6 -12.231 -12.358 -3.416 1.00 31.51 H new ATOM 0 HZ3 LYS A 6 -13.577 -12.791 -4.355 1.00 31.51 H new ATOM 116 N THR A 7 -13.550 -6.393 -8.124 1.00 44.41 N ATOM 117 CA THR A 7 -14.908 -5.882 -8.259 1.00 2.53 C ATOM 118 C THR A 7 -15.915 -7.020 -8.375 1.00 63.02 C ATOM 119 O THR A 7 -15.538 -8.182 -8.531 1.00 13.22 O ATOM 120 CB THR A 7 -15.043 -4.964 -9.488 1.00 53.34 C ATOM 121 OG1 THR A 7 -15.026 -5.746 -10.688 1.00 10.23 O ATOM 122 CG2 THR A 7 -13.917 -3.941 -9.527 1.00 74.42 C ATOM 0 H THR A 7 -13.041 -6.474 -9.004 1.00 44.41 H new ATOM 0 HA THR A 7 -15.119 -5.305 -7.359 1.00 2.53 H new ATOM 0 HB THR A 7 -15.992 -4.433 -9.414 1.00 53.34 H new ATOM 0 HG1 THR A 7 -15.114 -5.155 -11.465 1.00 10.23 H new ATOM 0 HG21 THR A 7 -14.034 -3.304 -10.404 1.00 74.42 H new ATOM 0 HG22 THR A 7 -13.951 -3.328 -8.626 1.00 74.42 H new ATOM 0 HG23 THR A 7 -12.958 -4.457 -9.579 1.00 74.42 H new ATOM 130 N VAL A 8 -17.197 -6.680 -8.300 1.00 15.45 N ATOM 131 CA VAL A 8 -18.259 -7.674 -8.398 1.00 54.34 C ATOM 132 C VAL A 8 -18.295 -8.304 -9.786 1.00 64.01 C ATOM 133 O VAL A 8 -18.959 -9.318 -10.002 1.00 50.51 O ATOM 134 CB VAL A 8 -19.637 -7.056 -8.092 1.00 43.01 C ATOM 135 CG1 VAL A 8 -20.020 -6.048 -9.165 1.00 15.14 C ATOM 136 CG2 VAL A 8 -20.693 -8.144 -7.969 1.00 63.13 C ATOM 0 H VAL A 8 -17.526 -5.723 -8.172 1.00 15.45 H new ATOM 0 HA VAL A 8 -18.041 -8.444 -7.657 1.00 54.34 H new ATOM 0 HB VAL A 8 -19.577 -6.531 -7.139 1.00 43.01 H new ATOM 0 HG11 VAL A 8 -20.996 -5.622 -8.932 1.00 15.14 H new ATOM 0 HG12 VAL A 8 -19.276 -5.253 -9.199 1.00 15.14 H new ATOM 0 HG13 VAL A 8 -20.063 -6.546 -10.133 1.00 15.14 H new ATOM 0 HG21 VAL A 8 -21.660 -7.690 -7.753 1.00 63.13 H new ATOM 0 HG22 VAL A 8 -20.754 -8.699 -8.905 1.00 63.13 H new ATOM 0 HG23 VAL A 8 -20.423 -8.824 -7.161 1.00 63.13 H new ATOM 146 N SER A 9 -17.574 -7.697 -10.724 1.00 72.41 N ATOM 147 CA SER A 9 -17.525 -8.197 -12.093 1.00 73.30 C ATOM 148 C SER A 9 -16.404 -9.219 -12.258 1.00 74.15 C ATOM 149 O SER A 9 -16.045 -9.587 -13.376 1.00 73.00 O ATOM 150 CB SER A 9 -17.325 -7.041 -13.074 1.00 51.40 C ATOM 151 OG SER A 9 -18.565 -6.595 -13.597 1.00 4.13 O ATOM 0 H SER A 9 -17.016 -6.859 -10.561 1.00 72.41 H new ATOM 0 HA SER A 9 -18.475 -8.687 -12.309 1.00 73.30 H new ATOM 0 HB2 SER A 9 -16.821 -6.216 -12.571 1.00 51.40 H new ATOM 0 HB3 SER A 9 -16.676 -7.360 -13.890 1.00 51.40 H new ATOM 0 HG SER A 9 -18.410 -5.855 -14.220 1.00 4.13 H new ATOM 157 N ASN A 10 -15.856 -9.673 -11.136 1.00 62.22 N ATOM 158 CA ASN A 10 -14.775 -10.652 -11.155 1.00 70.25 C ATOM 159 C ASN A 10 -13.507 -10.051 -11.754 1.00 50.11 C ATOM 160 O ASN A 10 -12.739 -10.738 -12.428 1.00 52.45 O ATOM 161 CB ASN A 10 -15.193 -11.888 -11.954 1.00 61.51 C ATOM 162 CG ASN A 10 -14.895 -13.180 -11.218 1.00 22.30 C ATOM 163 OD1 ASN A 10 -15.794 -13.976 -10.949 1.00 75.52 O ATOM 164 ND2 ASN A 10 -13.626 -13.394 -10.888 1.00 13.20 N ATOM 0 H ASN A 10 -16.142 -9.379 -10.202 1.00 62.22 H new ATOM 0 HA ASN A 10 -14.566 -10.945 -10.126 1.00 70.25 H new ATOM 0 HB2 ASN A 10 -16.260 -11.834 -12.170 1.00 61.51 H new ATOM 0 HB3 ASN A 10 -14.673 -11.891 -12.912 1.00 61.51 H new ATOM 0 HD21 ASN A 10 -13.365 -14.246 -10.391 1.00 13.20 H new ATOM 0 HD22 ASN A 10 -12.913 -12.706 -11.131 1.00 13.20 H new ATOM 171 N LYS A 11 -13.293 -8.764 -11.503 1.00 13.15 N ATOM 172 CA LYS A 11 -12.118 -8.069 -12.014 1.00 11.31 C ATOM 173 C LYS A 11 -11.103 -7.825 -10.902 1.00 31.23 C ATOM 174 O LYS A 11 -11.155 -6.806 -10.213 1.00 23.45 O ATOM 175 CB LYS A 11 -12.524 -6.737 -12.649 1.00 12.21 C ATOM 176 CG LYS A 11 -13.254 -6.891 -13.972 1.00 64.12 C ATOM 177 CD LYS A 11 -13.403 -5.558 -14.685 1.00 50.34 C ATOM 178 CE LYS A 11 -13.354 -5.725 -16.196 1.00 62.33 C ATOM 179 NZ LYS A 11 -11.981 -6.047 -16.674 1.00 45.33 N ATOM 0 H LYS A 11 -13.919 -8.181 -10.948 1.00 13.15 H new ATOM 0 HA LYS A 11 -11.655 -8.700 -12.772 1.00 11.31 H new ATOM 0 HB2 LYS A 11 -13.162 -6.192 -11.953 1.00 12.21 H new ATOM 0 HB3 LYS A 11 -11.631 -6.131 -12.805 1.00 12.21 H new ATOM 0 HG2 LYS A 11 -12.710 -7.587 -14.610 1.00 64.12 H new ATOM 0 HG3 LYS A 11 -14.239 -7.323 -13.797 1.00 64.12 H new ATOM 0 HD2 LYS A 11 -14.348 -5.095 -14.400 1.00 50.34 H new ATOM 0 HD3 LYS A 11 -12.608 -4.883 -14.367 1.00 50.34 H new ATOM 0 HE2 LYS A 11 -14.038 -6.518 -16.496 1.00 62.33 H new ATOM 0 HE3 LYS A 11 -13.699 -4.808 -16.674 1.00 62.33 H new ATOM 0 HZ1 LYS A 11 -11.915 -5.856 -17.694 1.00 45.33 H new ATOM 0 HZ2 LYS A 11 -11.290 -5.459 -16.166 1.00 45.33 H new ATOM 0 HZ3 LYS A 11 -11.778 -7.051 -16.496 1.00 45.33 H new ATOM 193 N VAL A 12 -10.180 -8.766 -10.733 1.00 24.31 N ATOM 194 CA VAL A 12 -9.151 -8.652 -9.706 1.00 62.51 C ATOM 195 C VAL A 12 -7.883 -8.016 -10.266 1.00 75.51 C ATOM 196 O VAL A 12 -7.408 -8.396 -11.337 1.00 5.34 O ATOM 197 CB VAL A 12 -8.801 -10.028 -9.108 1.00 5.24 C ATOM 198 CG1 VAL A 12 -7.702 -9.892 -8.064 1.00 73.20 C ATOM 199 CG2 VAL A 12 -10.038 -10.679 -8.509 1.00 54.14 C ATOM 0 H VAL A 12 -10.124 -9.616 -11.294 1.00 24.31 H new ATOM 0 HA VAL A 12 -9.557 -8.015 -8.920 1.00 62.51 H new ATOM 0 HB VAL A 12 -8.432 -10.670 -9.908 1.00 5.24 H new ATOM 0 HG11 VAL A 12 -7.468 -10.874 -7.652 1.00 73.20 H new ATOM 0 HG12 VAL A 12 -6.810 -9.471 -8.527 1.00 73.20 H new ATOM 0 HG13 VAL A 12 -8.040 -9.234 -7.263 1.00 73.20 H new ATOM 0 HG21 VAL A 12 -9.772 -11.650 -8.091 1.00 54.14 H new ATOM 0 HG22 VAL A 12 -10.439 -10.042 -7.720 1.00 54.14 H new ATOM 0 HG23 VAL A 12 -10.791 -10.812 -9.286 1.00 54.14 H new ATOM 209 N ILE A 13 -7.342 -7.048 -9.535 1.00 64.14 N ATOM 210 CA ILE A 13 -6.128 -6.360 -9.959 1.00 30.44 C ATOM 211 C ILE A 13 -5.114 -6.285 -8.822 1.00 60.32 C ATOM 212 O ILE A 13 -5.375 -5.678 -7.784 1.00 32.40 O ATOM 213 CB ILE A 13 -6.433 -4.935 -10.455 1.00 2.44 C ATOM 214 CG1 ILE A 13 -7.488 -4.971 -11.562 1.00 32.02 C ATOM 215 CG2 ILE A 13 -5.161 -4.263 -10.950 1.00 3.23 C ATOM 216 CD1 ILE A 13 -7.046 -5.731 -12.793 1.00 35.22 C ATOM 0 H ILE A 13 -7.724 -6.722 -8.647 1.00 64.14 H new ATOM 0 HA ILE A 13 -5.707 -6.939 -10.781 1.00 30.44 H new ATOM 0 HB ILE A 13 -6.828 -4.353 -9.622 1.00 2.44 H new ATOM 0 HG12 ILE A 13 -8.398 -5.426 -11.171 1.00 32.02 H new ATOM 0 HG13 ILE A 13 -7.740 -3.949 -11.846 1.00 32.02 H new ATOM 0 HG21 ILE A 13 -5.393 -3.256 -11.297 1.00 3.23 H new ATOM 0 HG22 ILE A 13 -4.438 -4.208 -10.136 1.00 3.23 H new ATOM 0 HG23 ILE A 13 -4.740 -4.842 -11.772 1.00 3.23 H new ATOM 0 HD11 ILE A 13 -7.843 -5.715 -13.536 1.00 35.22 H new ATOM 0 HD12 ILE A 13 -6.154 -5.263 -13.209 1.00 35.22 H new ATOM 0 HD13 ILE A 13 -6.822 -6.763 -12.523 1.00 35.22 H new ATOM 228 N GLN A 14 -3.956 -6.905 -9.028 1.00 12.23 N ATOM 229 CA GLN A 14 -2.902 -6.907 -8.020 1.00 51.12 C ATOM 230 C GLN A 14 -1.795 -5.924 -8.388 1.00 73.33 C ATOM 231 O GLN A 14 -1.084 -6.117 -9.375 1.00 24.35 O ATOM 232 CB GLN A 14 -2.321 -8.313 -7.863 1.00 4.00 C ATOM 233 CG GLN A 14 -1.861 -8.931 -9.173 1.00 64.14 C ATOM 234 CD GLN A 14 -0.417 -9.390 -9.127 1.00 24.31 C ATOM 235 OE1 GLN A 14 0.504 -8.609 -9.369 1.00 54.31 O ATOM 236 NE2 GLN A 14 -0.210 -10.664 -8.814 1.00 60.22 N ATOM 0 H GLN A 14 -3.724 -7.412 -9.882 1.00 12.23 H new ATOM 0 HA GLN A 14 -3.339 -6.594 -7.072 1.00 51.12 H new ATOM 0 HB2 GLN A 14 -1.478 -8.274 -7.174 1.00 4.00 H new ATOM 0 HB3 GLN A 14 -3.073 -8.959 -7.410 1.00 4.00 H new ATOM 0 HG2 GLN A 14 -2.501 -9.780 -9.414 1.00 64.14 H new ATOM 0 HG3 GLN A 14 -1.981 -8.203 -9.976 1.00 64.14 H new ATOM 0 HE21 GLN A 14 -1.002 -11.277 -8.621 1.00 60.22 H new ATOM 0 HE22 GLN A 14 0.741 -11.030 -8.767 1.00 60.22 H new ATOM 245 N ILE A 15 -1.656 -4.871 -7.590 1.00 74.22 N ATOM 246 CA ILE A 15 -0.636 -3.859 -7.832 1.00 63.23 C ATOM 247 C ILE A 15 0.374 -3.813 -6.691 1.00 2.24 C ATOM 248 O ILE A 15 0.062 -4.173 -5.555 1.00 61.21 O ATOM 249 CB ILE A 15 -1.259 -2.462 -8.008 1.00 41.25 C ATOM 250 CG1 ILE A 15 -1.675 -1.890 -6.651 1.00 63.25 C ATOM 251 CG2 ILE A 15 -2.453 -2.529 -8.949 1.00 64.13 C ATOM 252 CD1 ILE A 15 -2.456 -0.599 -6.754 1.00 34.14 C ATOM 0 H ILE A 15 -2.237 -4.697 -6.770 1.00 74.22 H new ATOM 0 HA ILE A 15 -0.127 -4.139 -8.754 1.00 63.23 H new ATOM 0 HB ILE A 15 -0.512 -1.800 -8.447 1.00 41.25 H new ATOM 0 HG12 ILE A 15 -2.278 -2.629 -6.124 1.00 63.25 H new ATOM 0 HG13 ILE A 15 -0.783 -1.718 -6.049 1.00 63.25 H new ATOM 0 HG21 ILE A 15 -2.883 -1.534 -9.063 1.00 64.13 H new ATOM 0 HG22 ILE A 15 -2.129 -2.898 -9.922 1.00 64.13 H new ATOM 0 HG23 ILE A 15 -3.204 -3.203 -8.537 1.00 64.13 H new ATOM 0 HD11 ILE A 15 -2.718 -0.251 -5.755 1.00 34.14 H new ATOM 0 HD12 ILE A 15 -1.848 0.155 -7.253 1.00 34.14 H new ATOM 0 HD13 ILE A 15 -3.366 -0.769 -7.329 1.00 34.14 H new ATOM 264 N THR A 16 1.587 -3.365 -6.999 1.00 4.23 N ATOM 265 CA THR A 16 2.644 -3.270 -5.999 1.00 72.11 C ATOM 266 C THR A 16 3.198 -1.853 -5.918 1.00 4.41 C ATOM 267 O THR A 16 4.408 -1.643 -6.005 1.00 24.31 O ATOM 268 CB THR A 16 3.797 -4.244 -6.307 1.00 1.34 C ATOM 269 OG1 THR A 16 4.830 -4.105 -5.325 1.00 44.20 O ATOM 270 CG2 THR A 16 4.369 -3.985 -7.692 1.00 50.33 C ATOM 0 H THR A 16 1.862 -3.062 -7.933 1.00 4.23 H new ATOM 0 HA THR A 16 2.198 -3.538 -5.041 1.00 72.11 H new ATOM 0 HB THR A 16 3.403 -5.260 -6.279 1.00 1.34 H new ATOM 0 HG1 THR A 16 5.186 -3.192 -5.352 1.00 44.20 H new ATOM 0 HG21 THR A 16 5.182 -4.685 -7.887 1.00 50.33 H new ATOM 0 HG22 THR A 16 3.587 -4.120 -8.440 1.00 50.33 H new ATOM 0 HG23 THR A 16 4.749 -2.965 -7.744 1.00 50.33 H new ATOM 278 N SER A 17 2.306 -0.882 -5.750 1.00 43.41 N ATOM 279 CA SER A 17 2.707 0.518 -5.660 1.00 61.52 C ATOM 280 C SER A 17 1.516 1.402 -5.304 1.00 21.01 C ATOM 281 O SER A 17 0.810 1.897 -6.184 1.00 2.14 O ATOM 282 CB SER A 17 3.323 0.980 -6.982 1.00 75.34 C ATOM 283 OG SER A 17 3.173 2.378 -7.153 1.00 54.43 O ATOM 0 H SER A 17 1.301 -1.039 -5.673 1.00 43.41 H new ATOM 0 HA SER A 17 3.452 0.607 -4.870 1.00 61.52 H new ATOM 0 HB2 SER A 17 4.381 0.719 -7.005 1.00 75.34 H new ATOM 0 HB3 SER A 17 2.848 0.456 -7.811 1.00 75.34 H new ATOM 0 HG SER A 17 2.221 2.599 -7.221 1.00 54.43 H new ATOM 289 N LEU A 18 1.298 1.596 -4.008 1.00 4.11 N ATOM 290 CA LEU A 18 0.193 2.421 -3.533 1.00 32.00 C ATOM 291 C LEU A 18 0.696 3.772 -3.034 1.00 63.41 C ATOM 292 O LEU A 18 1.839 3.896 -2.592 1.00 11.32 O ATOM 293 CB LEU A 18 -0.563 1.701 -2.415 1.00 21.12 C ATOM 294 CG LEU A 18 -1.843 0.975 -2.829 1.00 71.35 C ATOM 295 CD1 LEU A 18 -2.476 0.283 -1.632 1.00 61.32 C ATOM 296 CD2 LEU A 18 -2.825 1.947 -3.467 1.00 32.14 C ATOM 0 H LEU A 18 1.872 1.193 -3.267 1.00 4.11 H new ATOM 0 HA LEU A 18 -0.484 2.593 -4.369 1.00 32.00 H new ATOM 0 HB2 LEU A 18 0.110 0.976 -1.957 1.00 21.12 H new ATOM 0 HB3 LEU A 18 -0.816 2.431 -1.646 1.00 21.12 H new ATOM 0 HG LEU A 18 -1.584 0.215 -3.566 1.00 71.35 H new ATOM 0 HD11 LEU A 18 -3.386 -0.228 -1.946 1.00 61.32 H new ATOM 0 HD12 LEU A 18 -1.776 -0.443 -1.219 1.00 61.32 H new ATOM 0 HD13 LEU A 18 -2.721 1.024 -0.871 1.00 61.32 H new ATOM 0 HD21 LEU A 18 -3.730 1.413 -3.755 1.00 32.14 H new ATOM 0 HD22 LEU A 18 -3.078 2.730 -2.752 1.00 32.14 H new ATOM 0 HD23 LEU A 18 -2.371 2.395 -4.351 1.00 32.14 H new ATOM 308 N THR A 19 -0.165 4.782 -3.106 1.00 21.10 N ATOM 309 CA THR A 19 0.191 6.123 -2.661 1.00 45.20 C ATOM 310 C THR A 19 0.038 6.260 -1.151 1.00 1.24 C ATOM 311 O THR A 19 -0.386 5.324 -0.473 1.00 12.23 O ATOM 312 CB THR A 19 -0.674 7.193 -3.353 1.00 13.13 C ATOM 313 OG1 THR A 19 -1.256 6.656 -4.546 1.00 14.13 O ATOM 314 CG2 THR A 19 0.155 8.422 -3.695 1.00 71.54 C ATOM 0 H THR A 19 -1.115 4.696 -3.469 1.00 21.10 H new ATOM 0 HA THR A 19 1.235 6.279 -2.933 1.00 45.20 H new ATOM 0 HB THR A 19 -1.466 7.489 -2.665 1.00 13.13 H new ATOM 0 HG1 THR A 19 -1.927 7.281 -4.893 1.00 14.13 H new ATOM 0 HG21 THR A 19 -0.478 9.163 -4.183 1.00 71.54 H new ATOM 0 HG22 THR A 19 0.572 8.845 -2.781 1.00 71.54 H new ATOM 0 HG23 THR A 19 0.966 8.139 -4.366 1.00 71.54 H new ATOM 322 N ASP A 20 0.385 7.432 -0.629 1.00 62.24 N ATOM 323 CA ASP A 20 0.284 7.692 0.802 1.00 62.11 C ATOM 324 C ASP A 20 -0.577 8.922 1.071 1.00 3.13 C ATOM 325 O ASP A 20 -0.774 9.314 2.221 1.00 2.45 O ATOM 326 CB ASP A 20 1.676 7.886 1.406 1.00 31.21 C ATOM 327 CG ASP A 20 2.185 9.305 1.244 1.00 33.24 C ATOM 328 OD1 ASP A 20 2.098 9.842 0.120 1.00 13.12 O ATOM 329 OD2 ASP A 20 2.669 9.878 2.242 1.00 1.21 O ATOM 0 H ASP A 20 0.739 8.217 -1.176 1.00 62.24 H new ATOM 0 HA ASP A 20 -0.190 6.830 1.271 1.00 62.11 H new ATOM 0 HB2 ASP A 20 1.648 7.632 2.466 1.00 31.21 H new ATOM 0 HB3 ASP A 20 2.374 7.196 0.932 1.00 31.21 H new ATOM 334 N ASP A 21 -1.086 9.527 0.004 1.00 62.34 N ATOM 335 CA ASP A 21 -1.926 10.713 0.124 1.00 22.34 C ATOM 336 C ASP A 21 -3.404 10.337 0.091 1.00 0.40 C ATOM 337 O ASP A 21 -4.178 10.748 0.954 1.00 32.25 O ATOM 338 CB ASP A 21 -1.613 11.702 -0.999 1.00 44.21 C ATOM 339 CG ASP A 21 -0.999 12.989 -0.483 1.00 15.11 C ATOM 340 OD1 ASP A 21 0.203 12.981 -0.147 1.00 24.55 O ATOM 341 OD2 ASP A 21 -1.722 14.005 -0.416 1.00 52.01 O ATOM 0 H ASP A 21 -0.932 9.215 -0.955 1.00 62.34 H new ATOM 0 HA ASP A 21 -1.711 11.185 1.083 1.00 22.34 H new ATOM 0 HB2 ASP A 21 -0.930 11.236 -1.709 1.00 44.21 H new ATOM 0 HB3 ASP A 21 -2.529 11.932 -1.542 1.00 44.21 H new ATOM 346 N ASN A 22 -3.788 9.556 -0.913 1.00 33.53 N ATOM 347 CA ASN A 22 -5.174 9.126 -1.060 1.00 13.13 C ATOM 348 C ASN A 22 -5.290 7.610 -0.940 1.00 65.52 C ATOM 349 O ASN A 22 -6.191 7.094 -0.278 1.00 61.11 O ATOM 350 CB ASN A 22 -5.732 9.587 -2.408 1.00 34.42 C ATOM 351 CG ASN A 22 -6.101 11.058 -2.409 1.00 31.41 C ATOM 352 OD1 ASN A 22 -7.042 11.474 -1.732 1.00 64.22 O ATOM 353 ND2 ASN A 22 -5.359 11.853 -3.171 1.00 75.34 N ATOM 0 H ASN A 22 -3.159 9.208 -1.637 1.00 33.53 H new ATOM 0 HA ASN A 22 -5.756 9.581 -0.258 1.00 13.13 H new ATOM 0 HB2 ASN A 22 -4.993 9.400 -3.187 1.00 34.42 H new ATOM 0 HB3 ASN A 22 -6.613 8.994 -2.655 1.00 34.42 H new ATOM 0 HD21 ASN A 22 -5.559 12.852 -3.212 1.00 75.34 H new ATOM 0 HD22 ASN A 22 -4.589 11.464 -3.715 1.00 75.34 H new ATOM 360 N THR A 23 -4.370 6.899 -1.585 1.00 63.25 N ATOM 361 CA THR A 23 -4.368 5.442 -1.553 1.00 24.25 C ATOM 362 C THR A 23 -5.654 4.877 -2.143 1.00 34.31 C ATOM 363 O THR A 23 -5.694 4.486 -3.310 1.00 25.11 O ATOM 364 CB THR A 23 -4.200 4.913 -0.116 1.00 24.43 C ATOM 365 OG1 THR A 23 -2.912 5.279 0.394 1.00 75.32 O ATOM 366 CG2 THR A 23 -4.355 3.400 -0.075 1.00 35.15 C ATOM 0 H THR A 23 -3.616 7.309 -2.136 1.00 63.25 H new ATOM 0 HA THR A 23 -3.521 5.114 -2.155 1.00 24.25 H new ATOM 0 HB THR A 23 -4.977 5.360 0.505 1.00 24.43 H new ATOM 0 HG1 THR A 23 -2.924 5.238 1.373 1.00 75.32 H new ATOM 0 HG21 THR A 23 -4.232 3.049 0.950 1.00 35.15 H new ATOM 0 HG22 THR A 23 -5.346 3.126 -0.436 1.00 35.15 H new ATOM 0 HG23 THR A 23 -3.598 2.939 -0.709 1.00 35.15 H new ATOM 374 N ILE A 24 -6.705 4.837 -1.330 1.00 70.04 N ATOM 375 CA ILE A 24 -7.994 4.321 -1.774 1.00 51.01 C ATOM 376 C ILE A 24 -8.708 5.325 -2.672 1.00 53.14 C ATOM 377 O ILE A 24 -9.232 4.967 -3.727 1.00 1.10 O ATOM 378 CB ILE A 24 -8.905 3.979 -0.580 1.00 63.10 C ATOM 379 CG1 ILE A 24 -8.147 3.126 0.439 1.00 20.51 C ATOM 380 CG2 ILE A 24 -10.156 3.257 -1.058 1.00 23.02 C ATOM 381 CD1 ILE A 24 -7.576 3.924 1.590 1.00 32.33 C ATOM 0 H ILE A 24 -6.689 5.156 -0.361 1.00 70.04 H new ATOM 0 HA ILE A 24 -7.792 3.411 -2.339 1.00 51.01 H new ATOM 0 HB ILE A 24 -9.208 4.907 -0.095 1.00 63.10 H new ATOM 0 HG12 ILE A 24 -8.819 2.364 0.834 1.00 20.51 H new ATOM 0 HG13 ILE A 24 -7.336 2.604 -0.068 1.00 20.51 H new ATOM 0 HG21 ILE A 24 -10.790 3.022 -0.203 1.00 23.02 H new ATOM 0 HG22 ILE A 24 -10.703 3.897 -1.750 1.00 23.02 H new ATOM 0 HG23 ILE A 24 -9.873 2.334 -1.564 1.00 23.02 H new ATOM 0 HD11 ILE A 24 -7.052 3.255 2.273 1.00 32.33 H new ATOM 0 HD12 ILE A 24 -6.879 4.669 1.206 1.00 32.33 H new ATOM 0 HD13 ILE A 24 -8.385 4.425 2.122 1.00 32.33 H new ATOM 393 N ALA A 25 -8.724 6.584 -2.248 1.00 10.33 N ATOM 394 CA ALA A 25 -9.370 7.641 -3.015 1.00 53.44 C ATOM 395 C ALA A 25 -8.764 7.756 -4.410 1.00 53.10 C ATOM 396 O ALA A 25 -9.474 7.994 -5.387 1.00 21.22 O ATOM 397 CB ALA A 25 -9.262 8.969 -2.280 1.00 54.11 C ATOM 0 H ALA A 25 -8.296 6.897 -1.376 1.00 10.33 H new ATOM 0 HA ALA A 25 -10.424 7.384 -3.125 1.00 53.44 H new ATOM 0 HB1 ALA A 25 -9.749 9.749 -2.865 1.00 54.11 H new ATOM 0 HB2 ALA A 25 -9.748 8.887 -1.308 1.00 54.11 H new ATOM 0 HB3 ALA A 25 -8.211 9.223 -2.140 1.00 54.11 H new ATOM 403 N GLU A 26 -7.449 7.586 -4.494 1.00 45.34 N ATOM 404 CA GLU A 26 -6.748 7.673 -5.770 1.00 71.34 C ATOM 405 C GLU A 26 -7.115 6.498 -6.673 1.00 3.11 C ATOM 406 O GLU A 26 -7.299 6.662 -7.880 1.00 30.42 O ATOM 407 CB GLU A 26 -5.235 7.704 -5.546 1.00 1.53 C ATOM 408 CG GLU A 26 -4.428 7.698 -6.833 1.00 51.52 C ATOM 409 CD GLU A 26 -3.540 8.920 -6.971 1.00 31.11 C ATOM 410 OE1 GLU A 26 -2.868 9.280 -5.982 1.00 54.30 O ATOM 411 OE2 GLU A 26 -3.517 9.515 -8.069 1.00 11.03 O ATOM 0 H GLU A 26 -6.847 7.387 -3.695 1.00 45.34 H new ATOM 0 HA GLU A 26 -7.054 8.597 -6.261 1.00 71.34 H new ATOM 0 HB2 GLU A 26 -4.980 8.594 -4.971 1.00 1.53 H new ATOM 0 HB3 GLU A 26 -4.948 6.842 -4.943 1.00 1.53 H new ATOM 0 HG2 GLU A 26 -3.811 6.800 -6.867 1.00 51.52 H new ATOM 0 HG3 GLU A 26 -5.108 7.650 -7.684 1.00 51.52 H new ATOM 418 N LEU A 27 -7.218 5.314 -6.080 1.00 32.12 N ATOM 419 CA LEU A 27 -7.562 4.110 -6.829 1.00 52.41 C ATOM 420 C LEU A 27 -8.988 4.191 -7.365 1.00 11.52 C ATOM 421 O LEU A 27 -9.234 3.947 -8.546 1.00 71.31 O ATOM 422 CB LEU A 27 -7.408 2.873 -5.943 1.00 64.14 C ATOM 423 CG LEU A 27 -6.370 1.846 -6.400 1.00 13.34 C ATOM 424 CD1 LEU A 27 -6.630 1.429 -7.839 1.00 22.43 C ATOM 425 CD2 LEU A 27 -4.964 2.407 -6.251 1.00 5.14 C ATOM 0 H LEU A 27 -7.068 5.162 -5.083 1.00 32.12 H new ATOM 0 HA LEU A 27 -6.879 4.031 -7.675 1.00 52.41 H new ATOM 0 HB2 LEU A 27 -7.147 3.201 -4.937 1.00 64.14 H new ATOM 0 HB3 LEU A 27 -8.376 2.376 -5.875 1.00 64.14 H new ATOM 0 HG LEU A 27 -6.456 0.963 -5.766 1.00 13.34 H new ATOM 0 HD11 LEU A 27 -5.882 0.698 -8.147 1.00 22.43 H new ATOM 0 HD12 LEU A 27 -7.623 0.986 -7.916 1.00 22.43 H new ATOM 0 HD13 LEU A 27 -6.572 2.303 -8.487 1.00 22.43 H new ATOM 0 HD21 LEU A 27 -4.239 1.663 -6.581 1.00 5.14 H new ATOM 0 HD22 LEU A 27 -4.864 3.306 -6.860 1.00 5.14 H new ATOM 0 HD23 LEU A 27 -4.780 2.655 -5.206 1.00 5.14 H new ATOM 437 N LYS A 28 -9.925 4.539 -6.489 1.00 22.22 N ATOM 438 CA LYS A 28 -11.326 4.656 -6.873 1.00 14.30 C ATOM 439 C LYS A 28 -11.524 5.795 -7.868 1.00 52.30 C ATOM 440 O LYS A 28 -12.301 5.678 -8.815 1.00 32.35 O ATOM 441 CB LYS A 28 -12.198 4.888 -5.636 1.00 42.14 C ATOM 442 CG LYS A 28 -11.919 6.206 -4.934 1.00 60.23 C ATOM 443 CD LYS A 28 -12.726 6.337 -3.654 1.00 14.12 C ATOM 444 CE LYS A 28 -14.217 6.424 -3.942 1.00 14.45 C ATOM 445 NZ LYS A 28 -14.948 5.221 -3.455 1.00 44.13 N ATOM 0 H LYS A 28 -9.739 4.745 -5.508 1.00 22.22 H new ATOM 0 HA LYS A 28 -11.625 3.723 -7.351 1.00 14.30 H new ATOM 0 HB2 LYS A 28 -13.247 4.858 -5.930 1.00 42.14 H new ATOM 0 HB3 LYS A 28 -12.041 4.071 -4.932 1.00 42.14 H new ATOM 0 HG2 LYS A 28 -10.856 6.279 -4.704 1.00 60.23 H new ATOM 0 HG3 LYS A 28 -12.158 7.033 -5.602 1.00 60.23 H new ATOM 0 HD2 LYS A 28 -12.528 5.481 -3.009 1.00 14.12 H new ATOM 0 HD3 LYS A 28 -12.407 7.226 -3.111 1.00 14.12 H new ATOM 0 HE2 LYS A 28 -14.627 7.315 -3.467 1.00 14.45 H new ATOM 0 HE3 LYS A 28 -14.374 6.534 -5.015 1.00 14.45 H new ATOM 0 HZ1 LYS A 28 -15.961 5.319 -3.670 1.00 44.13 H new ATOM 0 HZ2 LYS A 28 -14.574 4.373 -3.927 1.00 44.13 H new ATOM 0 HZ3 LYS A 28 -14.820 5.130 -2.427 1.00 44.13 H new ATOM 459 N GLY A 29 -10.814 6.898 -7.648 1.00 32.23 N ATOM 460 CA GLY A 29 -10.925 8.041 -8.534 1.00 54.34 C ATOM 461 C GLY A 29 -10.367 7.761 -9.915 1.00 61.54 C ATOM 462 O GLY A 29 -10.870 8.276 -10.914 1.00 33.12 O ATOM 0 H GLY A 29 -10.164 7.020 -6.871 1.00 32.23 H new ATOM 0 HA2 GLY A 29 -11.973 8.329 -8.621 1.00 54.34 H new ATOM 0 HA3 GLY A 29 -10.396 8.888 -8.097 1.00 54.34 H new ATOM 466 N LYS A 30 -9.322 6.942 -9.974 1.00 61.00 N ATOM 467 CA LYS A 30 -8.693 6.593 -11.242 1.00 40.04 C ATOM 468 C LYS A 30 -9.587 5.661 -12.055 1.00 4.14 C ATOM 469 O LYS A 30 -9.635 5.745 -13.282 1.00 53.25 O ATOM 470 CB LYS A 30 -7.336 5.930 -10.997 1.00 21.22 C ATOM 471 CG LYS A 30 -6.210 6.920 -10.752 1.00 34.02 C ATOM 472 CD LYS A 30 -5.501 7.288 -12.044 1.00 4.32 C ATOM 473 CE LYS A 30 -4.336 8.233 -11.790 1.00 65.40 C ATOM 474 NZ LYS A 30 -3.341 8.196 -12.897 1.00 44.04 N ATOM 0 H LYS A 30 -8.893 6.507 -9.157 1.00 61.00 H new ATOM 0 HA LYS A 30 -8.544 7.512 -11.810 1.00 40.04 H new ATOM 0 HB2 LYS A 30 -7.416 5.264 -10.138 1.00 21.22 H new ATOM 0 HB3 LYS A 30 -7.083 5.311 -11.858 1.00 21.22 H new ATOM 0 HG2 LYS A 30 -6.611 7.820 -10.287 1.00 34.02 H new ATOM 0 HG3 LYS A 30 -5.493 6.491 -10.052 1.00 34.02 H new ATOM 0 HD2 LYS A 30 -5.138 6.383 -12.531 1.00 4.32 H new ATOM 0 HD3 LYS A 30 -6.209 7.756 -12.728 1.00 4.32 H new ATOM 0 HE2 LYS A 30 -4.712 9.250 -11.673 1.00 65.40 H new ATOM 0 HE3 LYS A 30 -3.848 7.964 -10.853 1.00 65.40 H new ATOM 0 HZ1 LYS A 30 -2.563 8.853 -12.687 1.00 44.04 H new ATOM 0 HZ2 LYS A 30 -2.963 7.232 -12.992 1.00 44.04 H new ATOM 0 HZ3 LYS A 30 -3.801 8.477 -13.786 1.00 44.04 H new ATOM 488 N LEU A 31 -10.293 4.774 -11.362 1.00 41.32 N ATOM 489 CA LEU A 31 -11.187 3.827 -12.019 1.00 42.14 C ATOM 490 C LEU A 31 -12.395 4.542 -12.615 1.00 52.22 C ATOM 491 O LEU A 31 -12.802 4.259 -13.741 1.00 52.24 O ATOM 492 CB LEU A 31 -11.650 2.760 -11.027 1.00 20.45 C ATOM 493 CG LEU A 31 -12.083 1.424 -11.631 1.00 74.40 C ATOM 494 CD1 LEU A 31 -11.481 0.265 -10.852 1.00 62.20 C ATOM 495 CD2 LEU A 31 -13.601 1.318 -11.659 1.00 12.13 C ATOM 0 H LEU A 31 -10.264 4.691 -10.346 1.00 41.32 H new ATOM 0 HA LEU A 31 -10.636 3.347 -12.828 1.00 42.14 H new ATOM 0 HB2 LEU A 31 -10.840 2.572 -10.322 1.00 20.45 H new ATOM 0 HB3 LEU A 31 -12.484 3.164 -10.453 1.00 20.45 H new ATOM 0 HG LEU A 31 -11.716 1.375 -12.656 1.00 74.40 H new ATOM 0 HD11 LEU A 31 -11.801 -0.677 -11.297 1.00 62.20 H new ATOM 0 HD12 LEU A 31 -10.393 0.331 -10.884 1.00 62.20 H new ATOM 0 HD13 LEU A 31 -11.817 0.309 -9.816 1.00 62.20 H new ATOM 0 HD21 LEU A 31 -13.891 0.361 -12.092 1.00 12.13 H new ATOM 0 HD22 LEU A 31 -13.990 1.389 -10.643 1.00 12.13 H new ATOM 0 HD23 LEU A 31 -14.011 2.128 -12.262 1.00 12.13 H new ATOM 507 N GLU A 32 -12.962 5.471 -11.852 1.00 14.20 N ATOM 508 CA GLU A 32 -14.123 6.228 -12.306 1.00 74.41 C ATOM 509 C GLU A 32 -13.750 7.159 -13.456 1.00 33.10 C ATOM 510 O GLU A 32 -14.509 7.315 -14.412 1.00 42.11 O ATOM 511 CB GLU A 32 -14.716 7.038 -11.151 1.00 62.40 C ATOM 512 CG GLU A 32 -13.729 8.001 -10.514 1.00 24.01 C ATOM 513 CD GLU A 32 -14.321 8.749 -9.336 1.00 13.42 C ATOM 514 OE1 GLU A 32 -15.093 8.134 -8.571 1.00 13.33 O ATOM 515 OE2 GLU A 32 -14.014 9.949 -9.179 1.00 43.40 O ATOM 0 H GLU A 32 -12.637 5.718 -10.917 1.00 14.20 H new ATOM 0 HA GLU A 32 -14.870 5.519 -12.663 1.00 74.41 H new ATOM 0 HB2 GLU A 32 -15.575 7.600 -11.516 1.00 62.40 H new ATOM 0 HB3 GLU A 32 -15.085 6.352 -10.389 1.00 62.40 H new ATOM 0 HG2 GLU A 32 -12.850 7.448 -10.184 1.00 24.01 H new ATOM 0 HG3 GLU A 32 -13.392 8.718 -11.263 1.00 24.01 H new ATOM 522 N GLU A 33 -12.577 7.775 -13.354 1.00 24.12 N ATOM 523 CA GLU A 33 -12.104 8.692 -14.384 1.00 63.34 C ATOM 524 C GLU A 33 -11.787 7.942 -15.676 1.00 11.45 C ATOM 525 O GLU A 33 -11.991 8.461 -16.773 1.00 11.31 O ATOM 526 CB GLU A 33 -10.862 9.442 -13.900 1.00 5.24 C ATOM 527 CG GLU A 33 -10.600 10.736 -14.652 1.00 62.02 C ATOM 528 CD GLU A 33 -11.068 11.960 -13.889 1.00 75.23 C ATOM 529 OE1 GLU A 33 -10.395 12.343 -12.910 1.00 41.44 O ATOM 530 OE2 GLU A 33 -12.109 12.534 -14.272 1.00 75.01 O ATOM 0 H GLU A 33 -11.937 7.656 -12.569 1.00 24.12 H new ATOM 0 HA GLU A 33 -12.898 9.411 -14.586 1.00 63.34 H new ATOM 0 HB2 GLU A 33 -10.973 9.665 -12.839 1.00 5.24 H new ATOM 0 HB3 GLU A 33 -9.993 8.791 -14.000 1.00 5.24 H new ATOM 0 HG2 GLU A 33 -9.533 10.825 -14.854 1.00 62.02 H new ATOM 0 HG3 GLU A 33 -11.105 10.699 -15.617 1.00 62.02 H new ATOM 537 N SER A 34 -11.287 6.719 -15.535 1.00 44.13 N ATOM 538 CA SER A 34 -10.937 5.899 -16.689 1.00 52.24 C ATOM 539 C SER A 34 -12.176 5.569 -17.516 1.00 50.25 C ATOM 540 O SER A 34 -12.159 5.665 -18.743 1.00 54.11 O ATOM 541 CB SER A 34 -10.254 4.608 -16.236 1.00 21.40 C ATOM 542 OG SER A 34 -9.866 3.819 -17.347 1.00 63.33 O ATOM 0 H SER A 34 -11.115 6.274 -14.633 1.00 44.13 H new ATOM 0 HA SER A 34 -10.246 6.468 -17.312 1.00 52.24 H new ATOM 0 HB2 SER A 34 -9.378 4.848 -15.633 1.00 21.40 H new ATOM 0 HB3 SER A 34 -10.932 4.038 -15.600 1.00 21.40 H new ATOM 0 HG SER A 34 -9.430 3.000 -17.031 1.00 63.33 H new ATOM 548 N GLU A 35 -13.249 5.180 -16.834 1.00 42.15 N ATOM 549 CA GLU A 35 -14.496 4.835 -17.506 1.00 73.10 C ATOM 550 C GLU A 35 -15.331 6.083 -17.779 1.00 44.11 C ATOM 551 O GLU A 35 -16.369 6.018 -18.436 1.00 64.22 O ATOM 552 CB GLU A 35 -15.300 3.846 -16.660 1.00 33.15 C ATOM 553 CG GLU A 35 -14.835 2.406 -16.800 1.00 55.11 C ATOM 554 CD GLU A 35 -15.523 1.680 -17.940 1.00 32.33 C ATOM 555 OE1 GLU A 35 -15.411 2.146 -19.093 1.00 31.20 O ATOM 556 OE2 GLU A 35 -16.173 0.646 -17.679 1.00 13.03 O ATOM 0 H GLU A 35 -13.280 5.096 -15.818 1.00 42.15 H new ATOM 0 HA GLU A 35 -14.248 4.369 -18.460 1.00 73.10 H new ATOM 0 HB2 GLU A 35 -15.234 4.140 -15.612 1.00 33.15 H new ATOM 0 HB3 GLU A 35 -16.351 3.909 -16.943 1.00 33.15 H new ATOM 0 HG2 GLU A 35 -13.757 2.390 -16.962 1.00 55.11 H new ATOM 0 HG3 GLU A 35 -15.025 1.874 -15.868 1.00 55.11 H new ATOM 563 N GLY A 36 -14.868 7.220 -17.268 1.00 52.54 N ATOM 564 CA GLY A 36 -15.583 8.468 -17.467 1.00 34.42 C ATOM 565 C GLY A 36 -16.584 8.744 -16.362 1.00 72.14 C ATOM 566 O GLY A 36 -16.683 9.869 -15.873 1.00 10.52 O ATOM 0 H GLY A 36 -14.011 7.299 -16.720 1.00 52.54 H new ATOM 0 HA2 GLY A 36 -14.868 9.289 -17.519 1.00 34.42 H new ATOM 0 HA3 GLY A 36 -16.103 8.437 -18.425 1.00 34.42 H new ATOM 570 N ILE A 37 -17.329 7.716 -15.970 1.00 72.14 N ATOM 571 CA ILE A 37 -18.328 7.854 -14.917 1.00 44.24 C ATOM 572 C ILE A 37 -18.313 6.648 -13.984 1.00 42.40 C ATOM 573 O ILE A 37 -17.907 5.548 -14.358 1.00 24.14 O ATOM 574 CB ILE A 37 -19.743 8.020 -15.502 1.00 21.42 C ATOM 575 CG1 ILE A 37 -19.997 6.969 -16.585 1.00 42.53 C ATOM 576 CG2 ILE A 37 -19.924 9.422 -16.063 1.00 44.01 C ATOM 577 CD1 ILE A 37 -21.416 6.446 -16.598 1.00 62.44 C ATOM 0 H ILE A 37 -17.260 6.778 -16.366 1.00 72.14 H new ATOM 0 HA ILE A 37 -18.070 8.750 -14.352 1.00 44.24 H new ATOM 0 HB ILE A 37 -20.470 7.874 -14.703 1.00 21.42 H new ATOM 0 HG12 ILE A 37 -19.768 7.401 -17.559 1.00 42.53 H new ATOM 0 HG13 ILE A 37 -19.312 6.134 -16.438 1.00 42.53 H new ATOM 0 HG21 ILE A 37 -20.929 9.523 -16.473 1.00 44.01 H new ATOM 0 HG22 ILE A 37 -19.781 10.153 -15.268 1.00 44.01 H new ATOM 0 HG23 ILE A 37 -19.192 9.596 -16.851 1.00 44.01 H new ATOM 0 HD11 ILE A 37 -21.524 5.705 -17.390 1.00 62.44 H new ATOM 0 HD12 ILE A 37 -21.643 5.985 -15.637 1.00 62.44 H new ATOM 0 HD13 ILE A 37 -22.106 7.271 -16.776 1.00 62.44 H new ATOM 589 N PRO A 38 -18.768 6.858 -12.740 1.00 30.22 N ATOM 590 CA PRO A 38 -18.820 5.799 -11.727 1.00 61.03 C ATOM 591 C PRO A 38 -19.878 4.747 -12.042 1.00 65.35 C ATOM 592 O PRO A 38 -20.979 5.072 -12.482 1.00 54.41 O ATOM 593 CB PRO A 38 -19.181 6.552 -10.445 1.00 4.35 C ATOM 594 CG PRO A 38 -19.895 7.773 -10.911 1.00 14.44 C ATOM 595 CD PRO A 38 -19.268 8.144 -12.226 1.00 2.01 C ATOM 0 HA PRO A 38 -17.881 5.249 -11.665 1.00 61.03 H new ATOM 0 HB2 PRO A 38 -19.814 5.947 -9.795 1.00 4.35 H new ATOM 0 HB3 PRO A 38 -18.290 6.809 -9.872 1.00 4.35 H new ATOM 0 HG2 PRO A 38 -20.961 7.580 -11.028 1.00 14.44 H new ATOM 0 HG3 PRO A 38 -19.795 8.583 -10.189 1.00 14.44 H new ATOM 0 HD2 PRO A 38 -19.993 8.593 -12.904 1.00 2.01 H new ATOM 0 HD3 PRO A 38 -18.462 8.866 -12.097 1.00 2.01 H new ATOM 603 N GLY A 39 -19.535 3.482 -11.814 1.00 43.42 N ATOM 604 CA GLY A 39 -20.466 2.402 -12.079 1.00 73.23 C ATOM 605 C GLY A 39 -21.815 2.626 -11.425 1.00 74.25 C ATOM 606 O GLY A 39 -22.856 2.440 -12.055 1.00 21.32 O ATOM 0 H GLY A 39 -18.629 3.187 -11.451 1.00 43.42 H new ATOM 0 HA2 GLY A 39 -20.600 2.298 -13.156 1.00 73.23 H new ATOM 0 HA3 GLY A 39 -20.042 1.465 -11.719 1.00 73.23 H new ATOM 610 N ASN A 40 -21.798 3.025 -10.158 1.00 1.11 N ATOM 611 CA ASN A 40 -23.030 3.272 -9.417 1.00 42.45 C ATOM 612 C ASN A 40 -22.729 3.633 -7.966 1.00 21.32 C ATOM 613 O ASN A 40 -22.935 4.770 -7.542 1.00 71.45 O ATOM 614 CB ASN A 40 -23.938 2.042 -9.472 1.00 3.13 C ATOM 615 CG ASN A 40 -25.337 2.377 -9.951 1.00 31.13 C ATOM 616 OD1 ASN A 40 -26.299 2.311 -9.186 1.00 35.42 O ATOM 617 ND2 ASN A 40 -25.456 2.739 -11.223 1.00 31.12 N ATOM 0 H ASN A 40 -20.945 3.184 -9.622 1.00 1.11 H new ATOM 0 HA ASN A 40 -23.542 4.114 -9.883 1.00 42.45 H new ATOM 0 HB2 ASN A 40 -23.498 1.298 -10.136 1.00 3.13 H new ATOM 0 HB3 ASN A 40 -23.994 1.591 -8.481 1.00 3.13 H new ATOM 0 HD21 ASN A 40 -26.373 2.976 -11.602 1.00 31.12 H new ATOM 0 HD22 ASN A 40 -24.631 2.780 -11.821 1.00 31.12 H new ATOM 624 N MET A 41 -22.240 2.656 -7.209 1.00 2.13 N ATOM 625 CA MET A 41 -21.909 2.871 -5.805 1.00 23.22 C ATOM 626 C MET A 41 -20.399 2.966 -5.611 1.00 3.22 C ATOM 627 O MET A 41 -19.912 3.815 -4.863 1.00 52.13 O ATOM 628 CB MET A 41 -22.474 1.738 -4.946 1.00 54.02 C ATOM 629 CG MET A 41 -23.880 2.008 -4.434 1.00 21.42 C ATOM 630 SD MET A 41 -24.465 0.729 -3.305 1.00 70.24 S ATOM 631 CE MET A 41 -25.613 1.665 -2.299 1.00 10.04 C ATOM 0 H MET A 41 -22.064 1.709 -7.544 1.00 2.13 H new ATOM 0 HA MET A 41 -22.358 3.813 -5.492 1.00 23.22 H new ATOM 0 HB2 MET A 41 -22.479 0.818 -5.530 1.00 54.02 H new ATOM 0 HB3 MET A 41 -21.812 1.572 -4.096 1.00 54.02 H new ATOM 0 HG2 MET A 41 -23.899 2.972 -3.926 1.00 21.42 H new ATOM 0 HG3 MET A 41 -24.563 2.080 -5.280 1.00 21.42 H new ATOM 0 HE1 MET A 41 -26.059 1.010 -1.551 1.00 10.04 H new ATOM 0 HE2 MET A 41 -25.082 2.476 -1.801 1.00 10.04 H new ATOM 0 HE3 MET A 41 -26.398 2.079 -2.932 1.00 10.04 H new ATOM 641 N ILE A 42 -19.663 2.091 -6.288 1.00 33.33 N ATOM 642 CA ILE A 42 -18.209 2.078 -6.190 1.00 30.24 C ATOM 643 C ILE A 42 -17.756 2.070 -4.733 1.00 74.14 C ATOM 644 O ILE A 42 -16.988 2.932 -4.307 1.00 64.21 O ATOM 645 CB ILE A 42 -17.586 3.292 -6.903 1.00 2.34 C ATOM 646 CG1 ILE A 42 -18.231 3.492 -8.276 1.00 33.35 C ATOM 647 CG2 ILE A 42 -16.081 3.112 -7.040 1.00 35.52 C ATOM 648 CD1 ILE A 42 -18.104 2.289 -9.183 1.00 72.44 C ATOM 0 H ILE A 42 -20.050 1.382 -6.910 1.00 33.33 H new ATOM 0 HA ILE A 42 -17.868 1.166 -6.679 1.00 30.24 H new ATOM 0 HB ILE A 42 -17.773 4.182 -6.302 1.00 2.34 H new ATOM 0 HG12 ILE A 42 -19.287 3.726 -8.142 1.00 33.35 H new ATOM 0 HG13 ILE A 42 -17.773 4.353 -8.762 1.00 33.35 H new ATOM 0 HG21 ILE A 42 -15.655 3.979 -7.546 1.00 35.52 H new ATOM 0 HG22 ILE A 42 -15.635 3.014 -6.050 1.00 35.52 H new ATOM 0 HG23 ILE A 42 -15.873 2.214 -7.622 1.00 35.52 H new ATOM 0 HD11 ILE A 42 -18.583 2.502 -10.139 1.00 72.44 H new ATOM 0 HD12 ILE A 42 -17.050 2.067 -9.347 1.00 72.44 H new ATOM 0 HD13 ILE A 42 -18.587 1.430 -8.718 1.00 72.44 H new ATOM 660 N ARG A 43 -18.237 1.090 -3.975 1.00 70.24 N ATOM 661 CA ARG A 43 -17.881 0.969 -2.567 1.00 34.03 C ATOM 662 C ARG A 43 -17.230 -0.382 -2.284 1.00 40.34 C ATOM 663 O ARG A 43 -17.805 -1.433 -2.572 1.00 3.50 O ATOM 664 CB ARG A 43 -19.122 1.142 -1.689 1.00 11.32 C ATOM 665 CG ARG A 43 -19.710 2.543 -1.734 1.00 44.44 C ATOM 666 CD ARG A 43 -19.930 3.101 -0.337 1.00 25.01 C ATOM 667 NE ARG A 43 -21.013 2.415 0.362 1.00 52.22 N ATOM 668 CZ ARG A 43 -21.618 2.903 1.439 1.00 52.51 C ATOM 669 NH1 ARG A 43 -21.248 4.075 1.938 1.00 64.43 N ATOM 670 NH2 ARG A 43 -22.597 2.220 2.019 1.00 44.01 N ATOM 0 H ARG A 43 -18.874 0.369 -4.313 1.00 70.24 H new ATOM 0 HA ARG A 43 -17.164 1.755 -2.331 1.00 34.03 H new ATOM 0 HB2 ARG A 43 -19.882 0.428 -2.005 1.00 11.32 H new ATOM 0 HB3 ARG A 43 -18.864 0.898 -0.658 1.00 11.32 H new ATOM 0 HG2 ARG A 43 -19.041 3.201 -2.289 1.00 44.44 H new ATOM 0 HG3 ARG A 43 -20.658 2.524 -2.272 1.00 44.44 H new ATOM 0 HD2 ARG A 43 -19.010 3.007 0.240 1.00 25.01 H new ATOM 0 HD3 ARG A 43 -20.158 4.165 -0.403 1.00 25.01 H new ATOM 0 HE ARG A 43 -21.322 1.511 0.004 1.00 52.22 H new ATOM 0 HH11 ARG A 43 -20.497 4.604 1.494 1.00 64.43 H new ATOM 0 HH12 ARG A 43 -21.714 4.447 2.765 1.00 64.43 H new ATOM 0 HH21 ARG A 43 -22.886 1.319 1.638 1.00 44.01 H new ATOM 0 HH22 ARG A 43 -23.061 2.596 2.846 1.00 44.01 H new ATOM 684 N LEU A 44 -16.028 -0.346 -1.720 1.00 63.45 N ATOM 685 CA LEU A 44 -15.297 -1.568 -1.399 1.00 51.53 C ATOM 686 C LEU A 44 -15.318 -1.835 0.102 1.00 25.42 C ATOM 687 O LEU A 44 -15.489 -0.918 0.905 1.00 53.11 O ATOM 688 CB LEU A 44 -13.852 -1.465 -1.891 1.00 32.10 C ATOM 689 CG LEU A 44 -13.054 -0.264 -1.383 1.00 21.02 C ATOM 690 CD1 LEU A 44 -11.581 -0.619 -1.251 1.00 61.15 C ATOM 691 CD2 LEU A 44 -13.236 0.929 -2.310 1.00 72.42 C ATOM 0 H LEU A 44 -15.539 0.515 -1.475 1.00 63.45 H new ATOM 0 HA LEU A 44 -15.787 -2.400 -1.904 1.00 51.53 H new ATOM 0 HB2 LEU A 44 -13.325 -2.374 -1.602 1.00 32.10 H new ATOM 0 HB3 LEU A 44 -13.862 -1.435 -2.981 1.00 32.10 H new ATOM 0 HG LEU A 44 -13.431 0.007 -0.397 1.00 21.02 H new ATOM 0 HD11 LEU A 44 -11.029 0.248 -0.888 1.00 61.15 H new ATOM 0 HD12 LEU A 44 -11.467 -1.443 -0.546 1.00 61.15 H new ATOM 0 HD13 LEU A 44 -11.190 -0.917 -2.224 1.00 61.15 H new ATOM 0 HD21 LEU A 44 -12.661 1.774 -1.932 1.00 72.42 H new ATOM 0 HD22 LEU A 44 -12.887 0.670 -3.309 1.00 72.42 H new ATOM 0 HD23 LEU A 44 -14.291 1.199 -2.353 1.00 72.42 H new ATOM 703 N VAL A 45 -15.139 -3.099 0.475 1.00 11.32 N ATOM 704 CA VAL A 45 -15.134 -3.487 1.880 1.00 24.45 C ATOM 705 C VAL A 45 -13.763 -4.005 2.302 1.00 1.33 C ATOM 706 O VAL A 45 -13.279 -5.009 1.779 1.00 1.33 O ATOM 707 CB VAL A 45 -16.190 -4.571 2.167 1.00 23.31 C ATOM 708 CG1 VAL A 45 -16.302 -4.826 3.663 1.00 45.14 C ATOM 709 CG2 VAL A 45 -17.536 -4.170 1.584 1.00 12.01 C ATOM 0 H VAL A 45 -14.996 -3.871 -0.176 1.00 11.32 H new ATOM 0 HA VAL A 45 -15.375 -2.594 2.456 1.00 24.45 H new ATOM 0 HB VAL A 45 -15.874 -5.498 1.688 1.00 23.31 H new ATOM 0 HG11 VAL A 45 -17.053 -5.595 3.846 1.00 45.14 H new ATOM 0 HG12 VAL A 45 -15.339 -5.161 4.048 1.00 45.14 H new ATOM 0 HG13 VAL A 45 -16.595 -3.906 4.168 1.00 45.14 H new ATOM 0 HG21 VAL A 45 -18.270 -4.947 1.796 1.00 12.01 H new ATOM 0 HG22 VAL A 45 -17.861 -3.231 2.032 1.00 12.01 H new ATOM 0 HG23 VAL A 45 -17.442 -4.044 0.505 1.00 12.01 H new ATOM 719 N TYR A 46 -13.142 -3.313 3.251 1.00 33.04 N ATOM 720 CA TYR A 46 -11.826 -3.701 3.743 1.00 64.22 C ATOM 721 C TYR A 46 -11.934 -4.408 5.091 1.00 43.14 C ATOM 722 O TYR A 46 -12.351 -3.812 6.084 1.00 65.45 O ATOM 723 CB TYR A 46 -10.923 -2.473 3.869 1.00 1.15 C ATOM 724 CG TYR A 46 -9.507 -2.711 3.395 1.00 1.45 C ATOM 725 CD1 TYR A 46 -8.836 -3.885 3.712 1.00 24.31 C ATOM 726 CD2 TYR A 46 -8.840 -1.761 2.632 1.00 1.51 C ATOM 727 CE1 TYR A 46 -7.542 -4.107 3.282 1.00 44.31 C ATOM 728 CE2 TYR A 46 -7.547 -1.974 2.196 1.00 24.03 C ATOM 729 CZ TYR A 46 -6.902 -3.148 2.524 1.00 64.41 C ATOM 730 OH TYR A 46 -5.613 -3.364 2.093 1.00 63.20 O ATOM 0 H TYR A 46 -13.529 -2.480 3.695 1.00 33.04 H new ATOM 0 HA TYR A 46 -11.388 -4.394 3.025 1.00 64.22 H new ATOM 0 HB2 TYR A 46 -11.356 -1.654 3.295 1.00 1.15 H new ATOM 0 HB3 TYR A 46 -10.900 -2.155 4.911 1.00 1.15 H new ATOM 0 HD1 TYR A 46 -9.335 -4.637 4.305 1.00 24.31 H new ATOM 0 HD2 TYR A 46 -9.341 -0.840 2.375 1.00 1.51 H new ATOM 0 HE1 TYR A 46 -7.035 -5.025 3.538 1.00 44.31 H new ATOM 0 HE2 TYR A 46 -7.044 -1.226 1.602 1.00 24.03 H new ATOM 0 HH TYR A 46 -5.628 -3.894 1.269 1.00 63.20 H new ATOM 740 N GLN A 47 -11.554 -5.681 5.116 1.00 73.54 N ATOM 741 CA GLN A 47 -11.608 -6.470 6.341 1.00 73.22 C ATOM 742 C GLN A 47 -13.014 -6.462 6.932 1.00 72.12 C ATOM 743 O GLN A 47 -13.186 -6.473 8.150 1.00 54.31 O ATOM 744 CB GLN A 47 -10.609 -5.930 7.365 1.00 43.13 C ATOM 745 CG GLN A 47 -9.807 -7.016 8.064 1.00 43.23 C ATOM 746 CD GLN A 47 -8.439 -7.222 7.444 1.00 42.34 C ATOM 747 OE1 GLN A 47 -8.175 -8.251 6.822 1.00 22.30 O ATOM 748 NE2 GLN A 47 -7.560 -6.240 7.609 1.00 24.55 N ATOM 0 H GLN A 47 -11.206 -6.188 4.302 1.00 73.54 H new ATOM 0 HA GLN A 47 -11.343 -7.498 6.093 1.00 73.22 H new ATOM 0 HB2 GLN A 47 -9.922 -5.248 6.865 1.00 43.13 H new ATOM 0 HB3 GLN A 47 -11.147 -5.349 8.114 1.00 43.13 H new ATOM 0 HG2 GLN A 47 -9.689 -6.755 9.116 1.00 43.23 H new ATOM 0 HG3 GLN A 47 -10.363 -7.953 8.028 1.00 43.23 H new ATOM 0 HE21 GLN A 47 -7.821 -5.404 8.132 1.00 24.55 H new ATOM 0 HE22 GLN A 47 -6.624 -6.322 7.213 1.00 24.55 H new ATOM 757 N GLY A 48 -14.018 -6.443 6.060 1.00 43.24 N ATOM 758 CA GLY A 48 -15.396 -6.433 6.514 1.00 2.04 C ATOM 759 C GLY A 48 -15.868 -5.046 6.902 1.00 15.11 C ATOM 760 O GLY A 48 -17.001 -4.871 7.352 1.00 1.44 O ATOM 0 H GLY A 48 -13.901 -6.434 5.047 1.00 43.24 H new ATOM 0 HA2 GLY A 48 -16.038 -6.825 5.725 1.00 2.04 H new ATOM 0 HA3 GLY A 48 -15.498 -7.101 7.369 1.00 2.04 H new ATOM 764 N LYS A 49 -14.999 -4.056 6.729 1.00 62.30 N ATOM 765 CA LYS A 49 -15.332 -2.677 7.064 1.00 10.00 C ATOM 766 C LYS A 49 -15.648 -1.873 5.807 1.00 41.20 C ATOM 767 O LYS A 49 -15.187 -2.205 4.715 1.00 30.24 O ATOM 768 CB LYS A 49 -14.177 -2.022 7.824 1.00 2.15 C ATOM 769 CG LYS A 49 -14.540 -1.602 9.238 1.00 1.32 C ATOM 770 CD LYS A 49 -14.959 -2.793 10.084 1.00 43.23 C ATOM 771 CE LYS A 49 -13.795 -3.742 10.325 1.00 42.12 C ATOM 772 NZ LYS A 49 -14.167 -4.854 11.243 1.00 70.05 N ATOM 0 H LYS A 49 -14.057 -4.184 6.358 1.00 62.30 H new ATOM 0 HA LYS A 49 -16.217 -2.688 7.700 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -13.339 -2.718 7.864 1.00 2.15 H new ATOM 0 HB3 LYS A 49 -13.838 -1.147 7.270 1.00 2.15 H new ATOM 0 HG2 LYS A 49 -13.687 -1.107 9.702 1.00 1.32 H new ATOM 0 HG3 LYS A 49 -15.351 -0.874 9.205 1.00 1.32 H new ATOM 0 HD2 LYS A 49 -15.348 -2.443 11.040 1.00 43.23 H new ATOM 0 HD3 LYS A 49 -15.769 -3.327 9.587 1.00 43.23 H new ATOM 0 HE2 LYS A 49 -13.459 -4.154 9.373 1.00 42.12 H new ATOM 0 HE3 LYS A 49 -12.956 -3.188 10.747 1.00 42.12 H new ATOM 0 HZ1 LYS A 49 -13.347 -5.479 11.382 1.00 70.05 H new ATOM 0 HZ2 LYS A 49 -14.463 -4.463 12.160 1.00 70.05 H new ATOM 0 HZ3 LYS A 49 -14.951 -5.398 10.829 1.00 70.05 H new ATOM 786 N GLN A 50 -16.435 -0.814 5.969 1.00 3.04 N ATOM 787 CA GLN A 50 -16.811 0.037 4.847 1.00 45.22 C ATOM 788 C GLN A 50 -16.161 1.412 4.965 1.00 53.20 C ATOM 789 O GLN A 50 -15.761 1.830 6.052 1.00 0.04 O ATOM 790 CB GLN A 50 -18.332 0.183 4.777 1.00 64.34 C ATOM 791 CG GLN A 50 -19.077 -1.129 4.964 1.00 15.54 C ATOM 792 CD GLN A 50 -19.608 -1.302 6.374 1.00 3.51 C ATOM 793 OE1 GLN A 50 -18.939 -0.954 7.348 1.00 32.42 O ATOM 794 NE2 GLN A 50 -20.816 -1.841 6.490 1.00 3.55 N ATOM 0 H GLN A 50 -16.824 -0.525 6.866 1.00 3.04 H new ATOM 0 HA GLN A 50 -16.456 -0.435 3.931 1.00 45.22 H new ATOM 0 HB2 GLN A 50 -18.657 0.888 5.542 1.00 64.34 H new ATOM 0 HB3 GLN A 50 -18.604 0.612 3.812 1.00 64.34 H new ATOM 0 HG2 GLN A 50 -19.907 -1.175 4.259 1.00 15.54 H new ATOM 0 HG3 GLN A 50 -18.411 -1.958 4.726 1.00 15.54 H new ATOM 0 HE21 GLN A 50 -21.335 -2.115 5.655 1.00 3.55 H new ATOM 0 HE22 GLN A 50 -21.225 -1.981 7.414 1.00 3.55 H new ATOM 803 N LEU A 51 -16.060 2.111 3.840 1.00 4.51 N ATOM 804 CA LEU A 51 -15.458 3.440 3.817 1.00 13.41 C ATOM 805 C LEU A 51 -13.990 3.381 4.225 1.00 22.24 C ATOM 806 O LEU A 51 -13.670 3.229 5.404 1.00 44.13 O ATOM 807 CB LEU A 51 -16.221 4.383 4.750 1.00 41.03 C ATOM 808 CG LEU A 51 -17.745 4.262 4.726 1.00 10.51 C ATOM 809 CD1 LEU A 51 -18.369 5.176 5.770 1.00 60.22 C ATOM 810 CD2 LEU A 51 -18.284 4.586 3.340 1.00 13.45 C ATOM 0 H LEU A 51 -16.387 1.780 2.932 1.00 4.51 H new ATOM 0 HA LEU A 51 -15.517 3.821 2.797 1.00 13.41 H new ATOM 0 HB2 LEU A 51 -15.879 4.208 5.770 1.00 41.03 H new ATOM 0 HB3 LEU A 51 -15.954 5.409 4.495 1.00 41.03 H new ATOM 0 HG LEU A 51 -18.013 3.233 4.967 1.00 10.51 H new ATOM 0 HD11 LEU A 51 -19.454 5.077 5.739 1.00 60.22 H new ATOM 0 HD12 LEU A 51 -18.008 4.898 6.760 1.00 60.22 H new ATOM 0 HD13 LEU A 51 -18.093 6.209 5.560 1.00 60.22 H new ATOM 0 HD21 LEU A 51 -19.370 4.495 3.342 1.00 13.45 H new ATOM 0 HD22 LEU A 51 -18.006 5.605 3.070 1.00 13.45 H new ATOM 0 HD23 LEU A 51 -17.863 3.891 2.614 1.00 13.45 H new ATOM 822 N GLU A 52 -13.102 3.503 3.243 1.00 13.43 N ATOM 823 CA GLU A 52 -11.668 3.465 3.502 1.00 63.32 C ATOM 824 C GLU A 52 -10.988 4.731 2.988 1.00 20.32 C ATOM 825 O GLU A 52 -9.785 4.920 3.171 1.00 13.21 O ATOM 826 CB GLU A 52 -11.041 2.234 2.844 1.00 74.53 C ATOM 827 CG GLU A 52 -11.795 0.944 3.123 1.00 53.20 C ATOM 828 CD GLU A 52 -11.678 0.501 4.568 1.00 4.04 C ATOM 829 OE1 GLU A 52 -10.551 0.526 5.106 1.00 65.01 O ATOM 830 OE2 GLU A 52 -12.711 0.129 5.162 1.00 55.14 O ATOM 0 H GLU A 52 -13.351 3.629 2.262 1.00 13.43 H new ATOM 0 HA GLU A 52 -11.521 3.407 4.581 1.00 63.32 H new ATOM 0 HB2 GLU A 52 -10.995 2.392 1.767 1.00 74.53 H new ATOM 0 HB3 GLU A 52 -10.014 2.128 3.195 1.00 74.53 H new ATOM 0 HG2 GLU A 52 -12.847 1.081 2.873 1.00 53.20 H new ATOM 0 HG3 GLU A 52 -11.413 0.156 2.473 1.00 53.20 H new ATOM 837 N ASP A 53 -11.767 5.593 2.345 1.00 45.44 N ATOM 838 CA ASP A 53 -11.241 6.842 1.804 1.00 31.13 C ATOM 839 C ASP A 53 -10.525 7.643 2.887 1.00 44.44 C ATOM 840 O ASP A 53 -9.474 8.235 2.641 1.00 61.34 O ATOM 841 CB ASP A 53 -12.371 7.676 1.199 1.00 71.25 C ATOM 842 CG ASP A 53 -11.994 8.275 -0.142 1.00 70.43 C ATOM 843 OD1 ASP A 53 -11.508 7.522 -1.013 1.00 11.21 O ATOM 844 OD2 ASP A 53 -12.186 9.495 -0.321 1.00 43.34 O ATOM 0 H ASP A 53 -12.764 5.451 2.185 1.00 45.44 H new ATOM 0 HA ASP A 53 -10.522 6.597 1.022 1.00 31.13 H new ATOM 0 HB2 ASP A 53 -13.256 7.051 1.079 1.00 71.25 H new ATOM 0 HB3 ASP A 53 -12.638 8.476 1.889 1.00 71.25 H new ATOM 849 N GLU A 54 -11.101 7.659 4.084 1.00 34.33 N ATOM 850 CA GLU A 54 -10.518 8.390 5.203 1.00 20.41 C ATOM 851 C GLU A 54 -9.202 7.753 5.642 1.00 53.11 C ATOM 852 O GLU A 54 -8.369 8.398 6.278 1.00 4.30 O ATOM 853 CB GLU A 54 -11.495 8.430 6.380 1.00 71.02 C ATOM 854 CG GLU A 54 -11.782 9.834 6.885 1.00 50.02 C ATOM 855 CD GLU A 54 -12.723 10.600 5.976 1.00 51.14 C ATOM 856 OE1 GLU A 54 -12.235 11.251 5.028 1.00 11.14 O ATOM 857 OE2 GLU A 54 -13.948 10.548 6.212 1.00 55.03 O ATOM 0 H GLU A 54 -11.971 7.174 4.304 1.00 34.33 H new ATOM 0 HA GLU A 54 -10.317 9.409 4.873 1.00 20.41 H new ATOM 0 HB2 GLU A 54 -12.433 7.962 6.079 1.00 71.02 H new ATOM 0 HB3 GLU A 54 -11.090 7.834 7.198 1.00 71.02 H new ATOM 0 HG2 GLU A 54 -12.215 9.775 7.884 1.00 50.02 H new ATOM 0 HG3 GLU A 54 -10.844 10.382 6.976 1.00 50.02 H new ATOM 864 N LYS A 55 -9.023 6.482 5.298 1.00 12.21 N ATOM 865 CA LYS A 55 -7.810 5.756 5.655 1.00 41.33 C ATOM 866 C LYS A 55 -6.815 5.758 4.498 1.00 10.35 C ATOM 867 O LYS A 55 -6.140 4.760 4.247 1.00 45.31 O ATOM 868 CB LYS A 55 -8.149 4.317 6.047 1.00 31.51 C ATOM 869 CG LYS A 55 -8.622 4.173 7.483 1.00 30.13 C ATOM 870 CD LYS A 55 -10.085 4.556 7.629 1.00 32.25 C ATOM 871 CE LYS A 55 -10.831 3.576 8.522 1.00 13.02 C ATOM 872 NZ LYS A 55 -11.922 4.242 9.287 1.00 4.10 N ATOM 0 H LYS A 55 -9.703 5.933 4.772 1.00 12.21 H new ATOM 0 HA LYS A 55 -7.352 6.260 6.506 1.00 41.33 H new ATOM 0 HB2 LYS A 55 -8.923 3.940 5.379 1.00 31.51 H new ATOM 0 HB3 LYS A 55 -7.268 3.692 5.899 1.00 31.51 H new ATOM 0 HG2 LYS A 55 -8.480 3.144 7.812 1.00 30.13 H new ATOM 0 HG3 LYS A 55 -8.014 4.802 8.132 1.00 30.13 H new ATOM 0 HD2 LYS A 55 -10.159 5.560 8.047 1.00 32.25 H new ATOM 0 HD3 LYS A 55 -10.555 4.584 6.646 1.00 32.25 H new ATOM 0 HE2 LYS A 55 -11.251 2.776 7.912 1.00 13.02 H new ATOM 0 HE3 LYS A 55 -10.131 3.113 9.217 1.00 13.02 H new ATOM 0 HZ1 LYS A 55 -12.406 3.541 9.883 1.00 4.10 H new ATOM 0 HZ2 LYS A 55 -11.519 4.988 9.888 1.00 4.10 H new ATOM 0 HZ3 LYS A 55 -12.604 4.663 8.624 1.00 4.10 H new ATOM 886 N ARG A 56 -6.729 6.885 3.800 1.00 52.55 N ATOM 887 CA ARG A 56 -5.816 7.017 2.670 1.00 34.34 C ATOM 888 C ARG A 56 -4.418 6.532 3.042 1.00 33.34 C ATOM 889 O ARG A 56 -4.030 5.410 2.713 1.00 53.15 O ATOM 890 CB ARG A 56 -5.755 8.472 2.203 1.00 74.01 C ATOM 891 CG ARG A 56 -5.947 9.480 3.324 1.00 52.31 C ATOM 892 CD ARG A 56 -7.349 10.069 3.310 1.00 52.11 C ATOM 893 NE ARG A 56 -7.349 11.492 3.640 1.00 22.32 N ATOM 894 CZ ARG A 56 -8.391 12.292 3.444 1.00 44.04 C ATOM 895 NH1 ARG A 56 -9.511 11.812 2.922 1.00 63.43 N ATOM 896 NH2 ARG A 56 -8.313 13.576 3.770 1.00 73.10 N ATOM 0 H ARG A 56 -7.280 7.720 3.997 1.00 52.55 H new ATOM 0 HA ARG A 56 -6.193 6.397 1.856 1.00 34.34 H new ATOM 0 HB2 ARG A 56 -4.792 8.651 1.726 1.00 74.01 H new ATOM 0 HB3 ARG A 56 -6.521 8.634 1.445 1.00 74.01 H new ATOM 0 HG2 ARG A 56 -5.764 8.997 4.284 1.00 52.31 H new ATOM 0 HG3 ARG A 56 -5.214 10.280 3.224 1.00 52.31 H new ATOM 0 HD2 ARG A 56 -7.792 9.926 2.325 1.00 52.11 H new ATOM 0 HD3 ARG A 56 -7.975 9.532 4.023 1.00 52.11 H new ATOM 0 HE ARG A 56 -6.502 11.893 4.043 1.00 22.32 H new ATOM 0 HH11 ARG A 56 -9.574 10.826 2.670 1.00 63.43 H new ATOM 0 HH12 ARG A 56 -10.309 12.429 2.773 1.00 63.43 H new ATOM 0 HH21 ARG A 56 -7.453 13.949 4.171 1.00 73.10 H new ATOM 0 HH22 ARG A 56 -9.113 14.190 3.619 1.00 73.10 H new ATOM 910 N LEU A 57 -3.666 7.383 3.730 1.00 1.51 N ATOM 911 CA LEU A 57 -2.310 7.043 4.147 1.00 71.50 C ATOM 912 C LEU A 57 -2.317 5.851 5.099 1.00 4.14 C ATOM 913 O LEU A 57 -1.407 5.022 5.080 1.00 71.51 O ATOM 914 CB LEU A 57 -1.645 8.244 4.820 1.00 1.40 C ATOM 915 CG LEU A 57 -0.116 8.253 4.820 1.00 61.51 C ATOM 916 CD1 LEU A 57 0.410 9.657 5.069 1.00 45.55 C ATOM 917 CD2 LEU A 57 0.423 7.286 5.865 1.00 13.51 C ATOM 0 H LEU A 57 -3.972 8.314 4.011 1.00 1.51 H new ATOM 0 HA LEU A 57 -1.740 6.772 3.258 1.00 71.50 H new ATOM 0 HB2 LEU A 57 -1.994 9.151 4.326 1.00 1.40 H new ATOM 0 HB3 LEU A 57 -1.988 8.292 5.853 1.00 1.40 H new ATOM 0 HG LEU A 57 0.230 7.927 3.839 1.00 61.51 H new ATOM 0 HD11 LEU A 57 1.500 9.643 5.065 1.00 45.55 H new ATOM 0 HD12 LEU A 57 0.053 10.324 4.284 1.00 45.55 H new ATOM 0 HD13 LEU A 57 0.055 10.012 6.036 1.00 45.55 H new ATOM 0 HD21 LEU A 57 1.513 7.305 5.851 1.00 13.51 H new ATOM 0 HD22 LEU A 57 0.067 7.582 6.852 1.00 13.51 H new ATOM 0 HD23 LEU A 57 0.075 6.278 5.641 1.00 13.51 H new ATOM 929 N LYS A 58 -3.350 5.771 5.931 1.00 5.14 N ATOM 930 CA LYS A 58 -3.478 4.680 6.890 1.00 61.33 C ATOM 931 C LYS A 58 -3.489 3.330 6.179 1.00 43.10 C ATOM 932 O LYS A 58 -3.120 2.309 6.760 1.00 55.00 O ATOM 933 CB LYS A 58 -4.757 4.845 7.713 1.00 32.43 C ATOM 934 CG LYS A 58 -4.504 5.042 9.198 1.00 64.51 C ATOM 935 CD LYS A 58 -5.058 3.887 10.016 1.00 0.41 C ATOM 936 CE LYS A 58 -4.688 4.018 11.486 1.00 71.13 C ATOM 937 NZ LYS A 58 -4.501 2.689 12.131 1.00 74.22 N ATOM 0 H LYS A 58 -4.111 6.449 5.960 1.00 5.14 H new ATOM 0 HA LYS A 58 -2.617 4.713 7.558 1.00 61.33 H new ATOM 0 HB2 LYS A 58 -5.317 5.699 7.332 1.00 32.43 H new ATOM 0 HB3 LYS A 58 -5.385 3.965 7.574 1.00 32.43 H new ATOM 0 HG2 LYS A 58 -3.433 5.134 9.376 1.00 64.51 H new ATOM 0 HG3 LYS A 58 -4.963 5.975 9.526 1.00 64.51 H new ATOM 0 HD2 LYS A 58 -6.143 3.855 9.914 1.00 0.41 H new ATOM 0 HD3 LYS A 58 -4.673 2.945 9.625 1.00 0.41 H new ATOM 0 HE2 LYS A 58 -3.771 4.599 11.579 1.00 71.13 H new ATOM 0 HE3 LYS A 58 -5.469 4.569 12.009 1.00 71.13 H new ATOM 0 HZ1 LYS A 58 -4.250 2.821 13.132 1.00 74.22 H new ATOM 0 HZ2 LYS A 58 -5.384 2.144 12.065 1.00 74.22 H new ATOM 0 HZ3 LYS A 58 -3.738 2.173 11.648 1.00 74.22 H new ATOM 951 N ASP A 59 -3.912 3.333 4.920 1.00 45.33 N ATOM 952 CA ASP A 59 -3.968 2.109 4.129 1.00 44.31 C ATOM 953 C ASP A 59 -2.599 1.779 3.541 1.00 52.11 C ATOM 954 O ASP A 59 -2.360 0.659 3.090 1.00 71.32 O ATOM 955 CB ASP A 59 -4.998 2.248 3.007 1.00 12.14 C ATOM 956 CG ASP A 59 -6.339 1.643 3.375 1.00 1.42 C ATOM 957 OD1 ASP A 59 -6.674 1.632 4.578 1.00 55.32 O ATOM 958 OD2 ASP A 59 -7.052 1.180 2.460 1.00 14.34 O ATOM 0 H ASP A 59 -4.221 4.169 4.425 1.00 45.33 H new ATOM 0 HA ASP A 59 -4.267 1.294 4.788 1.00 44.31 H new ATOM 0 HB2 ASP A 59 -5.132 3.303 2.769 1.00 12.14 H new ATOM 0 HB3 ASP A 59 -4.619 1.764 2.107 1.00 12.14 H new ATOM 963 N TYR A 60 -1.705 2.761 3.548 1.00 12.55 N ATOM 964 CA TYR A 60 -0.362 2.576 3.013 1.00 42.52 C ATOM 965 C TYR A 60 0.497 1.753 3.968 1.00 41.40 C ATOM 966 O TYR A 60 1.524 1.200 3.575 1.00 34.24 O ATOM 967 CB TYR A 60 0.298 3.932 2.755 1.00 3.11 C ATOM 968 CG TYR A 60 1.618 3.834 2.023 1.00 33.31 C ATOM 969 CD1 TYR A 60 1.763 3.000 0.921 1.00 1.03 C ATOM 970 CD2 TYR A 60 2.719 4.576 2.433 1.00 32.40 C ATOM 971 CE1 TYR A 60 2.967 2.907 0.250 1.00 31.41 C ATOM 972 CE2 TYR A 60 3.926 4.490 1.767 1.00 61.30 C ATOM 973 CZ TYR A 60 4.045 3.653 0.677 1.00 42.44 C ATOM 974 OH TYR A 60 5.246 3.564 0.010 1.00 53.32 O ATOM 0 H TYR A 60 -1.886 3.694 3.919 1.00 12.55 H new ATOM 0 HA TYR A 60 -0.445 2.035 2.071 1.00 42.52 H new ATOM 0 HB2 TYR A 60 -0.384 4.554 2.175 1.00 3.11 H new ATOM 0 HB3 TYR A 60 0.457 4.436 3.708 1.00 3.11 H new ATOM 0 HD1 TYR A 60 0.920 2.415 0.583 1.00 1.03 H new ATOM 0 HD2 TYR A 60 2.629 5.231 3.287 1.00 32.40 H new ATOM 0 HE1 TYR A 60 3.063 2.253 -0.604 1.00 31.41 H new ATOM 0 HE2 TYR A 60 4.772 5.075 2.098 1.00 61.30 H new ATOM 0 HH TYR A 60 5.902 4.154 0.437 1.00 53.32 H new ATOM 984 N GLN A 61 0.068 1.678 5.224 1.00 52.04 N ATOM 985 CA GLN A 61 0.797 0.923 6.236 1.00 71.24 C ATOM 986 C GLN A 61 0.465 -0.563 6.150 1.00 64.43 C ATOM 987 O GLN A 61 1.057 -1.383 6.853 1.00 55.55 O ATOM 988 CB GLN A 61 0.467 1.451 7.633 1.00 51.13 C ATOM 989 CG GLN A 61 1.639 2.135 8.317 1.00 43.30 C ATOM 990 CD GLN A 61 1.376 2.416 9.783 1.00 3.23 C ATOM 991 OE1 GLN A 61 0.585 3.295 10.127 1.00 43.22 O ATOM 992 NE2 GLN A 61 2.040 1.669 10.658 1.00 73.22 N ATOM 0 H GLN A 61 -0.780 2.131 5.565 1.00 52.04 H new ATOM 0 HA GLN A 61 1.863 1.050 6.050 1.00 71.24 H new ATOM 0 HB2 GLN A 61 -0.362 2.155 7.560 1.00 51.13 H new ATOM 0 HB3 GLN A 61 0.127 0.623 8.255 1.00 51.13 H new ATOM 0 HG2 GLN A 61 2.525 1.507 8.225 1.00 43.30 H new ATOM 0 HG3 GLN A 61 1.857 3.072 7.805 1.00 43.30 H new ATOM 0 HE21 GLN A 61 2.686 0.951 10.329 1.00 73.22 H new ATOM 0 HE22 GLN A 61 1.904 1.813 11.659 1.00 73.22 H new ATOM 1001 N MET A 62 -0.484 -0.904 5.284 1.00 43.20 N ATOM 1002 CA MET A 62 -0.893 -2.292 5.106 1.00 30.21 C ATOM 1003 C MET A 62 0.054 -3.021 4.158 1.00 53.35 C ATOM 1004 O MET A 62 0.800 -3.908 4.571 1.00 44.31 O ATOM 1005 CB MET A 62 -2.324 -2.360 4.569 1.00 42.44 C ATOM 1006 CG MET A 62 -3.280 -1.403 5.263 1.00 24.33 C ATOM 1007 SD MET A 62 -3.383 -1.693 7.040 1.00 62.00 S ATOM 1008 CE MET A 62 -5.123 -1.384 7.333 1.00 64.41 C ATOM 0 H MET A 62 -0.984 -0.238 4.695 1.00 43.20 H new ATOM 0 HA MET A 62 -0.854 -2.783 6.078 1.00 30.21 H new ATOM 0 HB2 MET A 62 -2.314 -2.140 3.502 1.00 42.44 H new ATOM 0 HB3 MET A 62 -2.697 -3.378 4.681 1.00 42.44 H new ATOM 0 HG2 MET A 62 -2.956 -0.378 5.084 1.00 24.33 H new ATOM 0 HG3 MET A 62 -4.272 -1.505 4.824 1.00 24.33 H new ATOM 0 HE1 MET A 62 -5.344 -1.524 8.391 1.00 64.41 H new ATOM 0 HE2 MET A 62 -5.365 -0.361 7.044 1.00 64.41 H new ATOM 0 HE3 MET A 62 -5.720 -2.079 6.743 1.00 64.41 H new ATOM 1018 N SER A 63 0.017 -2.641 2.884 1.00 0.43 N ATOM 1019 CA SER A 63 0.869 -3.261 1.877 1.00 60.05 C ATOM 1020 C SER A 63 0.655 -4.771 1.839 1.00 20.23 C ATOM 1021 O SER A 63 1.546 -5.526 1.450 1.00 53.21 O ATOM 1022 CB SER A 63 2.340 -2.950 2.160 1.00 52.21 C ATOM 1023 OG SER A 63 2.530 -1.568 2.410 1.00 53.12 O ATOM 0 H SER A 63 -0.594 -1.907 2.526 1.00 0.43 H new ATOM 0 HA SER A 63 0.599 -2.848 0.905 1.00 60.05 H new ATOM 0 HB2 SER A 63 2.678 -3.528 3.020 1.00 52.21 H new ATOM 0 HB3 SER A 63 2.950 -3.256 1.310 1.00 52.21 H new ATOM 0 HG SER A 63 3.478 -1.395 2.590 1.00 53.12 H new ATOM 1029 N ALA A 64 -0.533 -5.204 2.247 1.00 33.34 N ATOM 1030 CA ALA A 64 -0.866 -6.623 2.259 1.00 33.33 C ATOM 1031 C ALA A 64 -2.298 -6.847 2.734 1.00 72.23 C ATOM 1032 O ALA A 64 -2.559 -7.718 3.563 1.00 42.13 O ATOM 1033 CB ALA A 64 0.110 -7.387 3.142 1.00 73.11 C ATOM 0 H ALA A 64 -1.281 -4.592 2.574 1.00 33.34 H new ATOM 0 HA ALA A 64 -0.786 -6.998 1.239 1.00 33.33 H new ATOM 0 HB1 ALA A 64 -0.151 -8.445 3.142 1.00 73.11 H new ATOM 0 HB2 ALA A 64 1.122 -7.263 2.758 1.00 73.11 H new ATOM 0 HB3 ALA A 64 0.058 -7.001 4.160 1.00 73.11 H new ATOM 1039 N GLY A 65 -3.224 -6.054 2.202 1.00 22.13 N ATOM 1040 CA GLY A 65 -4.618 -6.182 2.584 1.00 0.54 C ATOM 1041 C GLY A 65 -5.534 -6.352 1.389 1.00 43.24 C ATOM 1042 O GLY A 65 -5.620 -5.471 0.534 1.00 0.50 O ATOM 0 H GLY A 65 -3.033 -5.326 1.514 1.00 22.13 H new ATOM 0 HA2 GLY A 65 -4.732 -7.038 3.250 1.00 0.54 H new ATOM 0 HA3 GLY A 65 -4.920 -5.298 3.146 1.00 0.54 H new ATOM 1046 N ALA A 66 -6.218 -7.489 1.327 1.00 73.23 N ATOM 1047 CA ALA A 66 -7.132 -7.772 0.227 1.00 51.11 C ATOM 1048 C ALA A 66 -8.270 -6.757 0.184 1.00 63.34 C ATOM 1049 O ALA A 66 -8.828 -6.390 1.218 1.00 74.21 O ATOM 1050 CB ALA A 66 -7.686 -9.184 0.350 1.00 1.34 C ATOM 0 H ALA A 66 -6.157 -8.230 2.026 1.00 73.23 H new ATOM 0 HA ALA A 66 -6.574 -7.693 -0.706 1.00 51.11 H new ATOM 0 HB1 ALA A 66 -8.367 -9.381 -0.478 1.00 1.34 H new ATOM 0 HB2 ALA A 66 -6.865 -9.901 0.323 1.00 1.34 H new ATOM 0 HB3 ALA A 66 -8.223 -9.283 1.293 1.00 1.34 H new ATOM 1056 N THR A 67 -8.609 -6.306 -1.020 1.00 44.11 N ATOM 1057 CA THR A 67 -9.678 -5.332 -1.198 1.00 32.12 C ATOM 1058 C THR A 67 -10.750 -5.859 -2.145 1.00 62.22 C ATOM 1059 O THR A 67 -10.443 -6.504 -3.148 1.00 52.24 O ATOM 1060 CB THR A 67 -9.138 -3.997 -1.744 1.00 64.22 C ATOM 1061 OG1 THR A 67 -7.737 -4.112 -2.020 1.00 72.01 O ATOM 1062 CG2 THR A 67 -9.373 -2.870 -0.750 1.00 20.43 C ATOM 0 H THR A 67 -8.158 -6.600 -1.886 1.00 44.11 H new ATOM 0 HA THR A 67 -10.117 -5.162 -0.215 1.00 32.12 H new ATOM 0 HB THR A 67 -9.672 -3.764 -2.665 1.00 64.22 H new ATOM 0 HG1 THR A 67 -7.225 -3.862 -1.223 1.00 72.01 H new ATOM 0 HG21 THR A 67 -8.983 -1.938 -1.158 1.00 20.43 H new ATOM 0 HG22 THR A 67 -10.442 -2.766 -0.564 1.00 20.43 H new ATOM 0 HG23 THR A 67 -8.863 -3.098 0.186 1.00 20.43 H new ATOM 1070 N PHE A 68 -12.008 -5.581 -1.821 1.00 52.45 N ATOM 1071 CA PHE A 68 -13.126 -6.027 -2.644 1.00 72.43 C ATOM 1072 C PHE A 68 -14.071 -4.870 -2.953 1.00 40.41 C ATOM 1073 O PHE A 68 -14.723 -4.330 -2.059 1.00 1.14 O ATOM 1074 CB PHE A 68 -13.890 -7.150 -1.938 1.00 52.54 C ATOM 1075 CG PHE A 68 -14.577 -8.094 -2.883 1.00 42.23 C ATOM 1076 CD1 PHE A 68 -15.459 -7.618 -3.840 1.00 61.10 C ATOM 1077 CD2 PHE A 68 -14.340 -9.457 -2.814 1.00 74.44 C ATOM 1078 CE1 PHE A 68 -16.092 -8.484 -4.711 1.00 71.43 C ATOM 1079 CE2 PHE A 68 -14.970 -10.328 -3.683 1.00 73.32 C ATOM 1080 CZ PHE A 68 -15.848 -9.841 -4.632 1.00 72.40 C ATOM 0 H PHE A 68 -12.279 -5.049 -0.994 1.00 52.45 H new ATOM 0 HA PHE A 68 -12.724 -6.405 -3.584 1.00 72.43 H new ATOM 0 HB2 PHE A 68 -13.197 -7.714 -1.314 1.00 52.54 H new ATOM 0 HB3 PHE A 68 -14.633 -6.711 -1.272 1.00 52.54 H new ATOM 0 HD1 PHE A 68 -15.654 -6.558 -3.906 1.00 61.10 H new ATOM 0 HD2 PHE A 68 -13.656 -9.843 -2.073 1.00 74.44 H new ATOM 0 HE1 PHE A 68 -16.777 -8.100 -5.453 1.00 71.43 H new ATOM 0 HE2 PHE A 68 -14.776 -11.389 -3.620 1.00 73.32 H new ATOM 0 HZ PHE A 68 -16.343 -10.520 -5.311 1.00 72.40 H new ATOM 1090 N HIS A 69 -14.139 -4.493 -4.226 1.00 51.40 N ATOM 1091 CA HIS A 69 -15.004 -3.399 -4.654 1.00 42.22 C ATOM 1092 C HIS A 69 -16.386 -3.918 -5.040 1.00 43.20 C ATOM 1093 O HIS A 69 -16.518 -5.014 -5.584 1.00 2.14 O ATOM 1094 CB HIS A 69 -14.377 -2.657 -5.835 1.00 63.10 C ATOM 1095 CG HIS A 69 -13.173 -1.847 -5.463 1.00 33.03 C ATOM 1096 ND1 HIS A 69 -13.005 -0.532 -5.841 1.00 12.44 N ATOM 1097 CD2 HIS A 69 -12.076 -2.173 -4.741 1.00 2.45 C ATOM 1098 CE1 HIS A 69 -11.856 -0.084 -5.368 1.00 44.45 C ATOM 1099 NE2 HIS A 69 -11.272 -1.060 -4.697 1.00 13.13 N ATOM 0 H HIS A 69 -13.606 -4.929 -4.979 1.00 51.40 H new ATOM 0 HA HIS A 69 -15.115 -2.708 -3.818 1.00 42.22 H new ATOM 0 HB2 HIS A 69 -14.096 -3.381 -6.600 1.00 63.10 H new ATOM 0 HB3 HIS A 69 -15.124 -1.999 -6.278 1.00 63.10 H new ATOM 0 HD2 HIS A 69 -11.871 -3.130 -4.284 1.00 2.45 H new ATOM 0 HE1 HIS A 69 -11.461 0.912 -5.507 1.00 44.45 H new ATOM 0 HE2 HIS A 69 -10.371 -0.998 -4.223 1.00 13.13 H new ATOM 1107 N MET A 70 -17.412 -3.123 -4.754 1.00 61.23 N ATOM 1108 CA MET A 70 -18.784 -3.503 -5.072 1.00 44.01 C ATOM 1109 C MET A 70 -19.480 -2.407 -5.872 1.00 42.41 C ATOM 1110 O MET A 70 -19.487 -1.242 -5.473 1.00 22.12 O ATOM 1111 CB MET A 70 -19.566 -3.790 -3.789 1.00 53.42 C ATOM 1112 CG MET A 70 -21.056 -3.990 -4.018 1.00 3.31 C ATOM 1113 SD MET A 70 -21.762 -5.245 -2.934 1.00 34.23 S ATOM 1114 CE MET A 70 -21.225 -4.650 -1.332 1.00 31.51 C ATOM 0 H MET A 70 -17.320 -2.213 -4.303 1.00 61.23 H new ATOM 0 HA MET A 70 -18.753 -4.407 -5.680 1.00 44.01 H new ATOM 0 HB2 MET A 70 -19.156 -4.682 -3.315 1.00 53.42 H new ATOM 0 HB3 MET A 70 -19.421 -2.964 -3.092 1.00 53.42 H new ATOM 0 HG2 MET A 70 -21.574 -3.044 -3.859 1.00 3.31 H new ATOM 0 HG3 MET A 70 -21.225 -4.275 -5.056 1.00 3.31 H new ATOM 0 HE1 MET A 70 -21.792 -5.153 -0.548 1.00 31.51 H new ATOM 0 HE2 MET A 70 -20.163 -4.860 -1.203 1.00 31.51 H new ATOM 0 HE3 MET A 70 -21.393 -3.575 -1.268 1.00 31.51 H new ATOM 1124 N VAL A 71 -20.064 -2.786 -7.004 1.00 34.41 N ATOM 1125 CA VAL A 71 -20.764 -1.836 -7.860 1.00 1.54 C ATOM 1126 C VAL A 71 -22.116 -2.384 -8.300 1.00 72.43 C ATOM 1127 O VAL A 71 -22.189 -3.329 -9.087 1.00 2.31 O ATOM 1128 CB VAL A 71 -19.932 -1.487 -9.108 1.00 52.42 C ATOM 1129 CG1 VAL A 71 -20.617 -0.397 -9.919 1.00 11.23 C ATOM 1130 CG2 VAL A 71 -18.527 -1.063 -8.710 1.00 45.30 C ATOM 0 H VAL A 71 -20.066 -3.746 -7.350 1.00 34.41 H new ATOM 0 HA VAL A 71 -20.917 -0.932 -7.270 1.00 1.54 H new ATOM 0 HB VAL A 71 -19.855 -2.377 -9.732 1.00 52.42 H new ATOM 0 HG11 VAL A 71 -20.014 -0.164 -10.797 1.00 11.23 H new ATOM 0 HG12 VAL A 71 -21.601 -0.743 -10.236 1.00 11.23 H new ATOM 0 HG13 VAL A 71 -20.727 0.498 -9.306 1.00 11.23 H new ATOM 0 HG21 VAL A 71 -17.953 -0.820 -9.604 1.00 45.30 H new ATOM 0 HG22 VAL A 71 -18.581 -0.187 -8.064 1.00 45.30 H new ATOM 0 HG23 VAL A 71 -18.039 -1.878 -8.176 1.00 45.30 H new ATOM 1140 N VAL A 72 -23.187 -1.786 -7.788 1.00 51.24 N ATOM 1141 CA VAL A 72 -24.538 -2.213 -8.130 1.00 75.22 C ATOM 1142 C VAL A 72 -25.236 -1.181 -9.009 1.00 44.20 C ATOM 1143 O VAL A 72 -25.631 -0.115 -8.538 1.00 34.34 O ATOM 1144 CB VAL A 72 -25.387 -2.454 -6.868 1.00 13.44 C ATOM 1145 CG1 VAL A 72 -25.299 -1.259 -5.929 1.00 72.55 C ATOM 1146 CG2 VAL A 72 -26.833 -2.740 -7.245 1.00 22.44 C ATOM 0 H VAL A 72 -23.145 -1.004 -7.135 1.00 51.24 H new ATOM 0 HA VAL A 72 -24.443 -3.149 -8.680 1.00 75.22 H new ATOM 0 HB VAL A 72 -24.992 -3.326 -6.347 1.00 13.44 H new ATOM 0 HG11 VAL A 72 -25.905 -1.447 -5.043 1.00 72.55 H new ATOM 0 HG12 VAL A 72 -24.261 -1.105 -5.633 1.00 72.55 H new ATOM 0 HG13 VAL A 72 -25.667 -0.368 -6.438 1.00 72.55 H new ATOM 0 HG21 VAL A 72 -27.418 -2.908 -6.341 1.00 22.44 H new ATOM 0 HG22 VAL A 72 -27.242 -1.889 -7.789 1.00 22.44 H new ATOM 0 HG23 VAL A 72 -26.876 -3.628 -7.875 1.00 22.44 H new ATOM 1156 N ALA A 73 -25.383 -1.505 -10.289 1.00 40.35 N ATOM 1157 CA ALA A 73 -26.035 -0.607 -11.234 1.00 41.45 C ATOM 1158 C ALA A 73 -27.201 -1.297 -11.933 1.00 35.22 C ATOM 1159 O ALA A 73 -27.007 -2.064 -12.877 1.00 33.11 O ATOM 1160 CB ALA A 73 -25.031 -0.098 -12.258 1.00 64.22 C ATOM 0 H ALA A 73 -25.059 -2.383 -10.696 1.00 40.35 H new ATOM 0 HA ALA A 73 -26.431 0.241 -10.676 1.00 41.45 H new ATOM 0 HB1 ALA A 73 -25.532 0.571 -12.957 1.00 64.22 H new ATOM 0 HB2 ALA A 73 -24.233 0.441 -11.748 1.00 64.22 H new ATOM 0 HB3 ALA A 73 -24.608 -0.942 -12.803 1.00 64.22 H new ATOM 1166 N LEU A 74 -28.413 -1.021 -11.463 1.00 70.40 N ATOM 1167 CA LEU A 74 -29.612 -1.617 -12.042 1.00 71.03 C ATOM 1168 C LEU A 74 -29.539 -3.140 -11.999 1.00 11.01 C ATOM 1169 O LEU A 74 -29.860 -3.815 -12.977 1.00 51.22 O ATOM 1170 CB LEU A 74 -29.794 -1.145 -13.486 1.00 4.31 C ATOM 1171 CG LEU A 74 -29.972 0.361 -13.682 1.00 41.21 C ATOM 1172 CD1 LEU A 74 -28.621 1.043 -13.837 1.00 33.12 C ATOM 1173 CD2 LEU A 74 -30.854 0.641 -14.890 1.00 71.10 C ATOM 0 H LEU A 74 -28.591 -0.389 -10.683 1.00 70.40 H new ATOM 0 HA LEU A 74 -30.469 -1.296 -11.450 1.00 71.03 H new ATOM 0 HB2 LEU A 74 -28.928 -1.467 -14.064 1.00 4.31 H new ATOM 0 HB3 LEU A 74 -30.663 -1.651 -13.906 1.00 4.31 H new ATOM 0 HG LEU A 74 -30.462 0.767 -12.797 1.00 41.21 H new ATOM 0 HD11 LEU A 74 -28.768 2.114 -13.975 1.00 33.12 H new ATOM 0 HD12 LEU A 74 -28.022 0.872 -12.943 1.00 33.12 H new ATOM 0 HD13 LEU A 74 -28.104 0.633 -14.704 1.00 33.12 H new ATOM 0 HD21 LEU A 74 -30.970 1.718 -15.014 1.00 71.10 H new ATOM 0 HD22 LEU A 74 -30.392 0.220 -15.783 1.00 71.10 H new ATOM 0 HD23 LEU A 74 -31.833 0.186 -14.739 1.00 71.10 H new ATOM 1185 N ARG A 75 -29.117 -3.675 -10.858 1.00 11.43 N ATOM 1186 CA ARG A 75 -29.003 -5.118 -10.686 1.00 51.04 C ATOM 1187 C ARG A 75 -30.253 -5.687 -10.021 1.00 0.20 C ATOM 1188 O ARG A 75 -31.289 -5.025 -9.955 1.00 64.40 O ATOM 1189 CB ARG A 75 -27.768 -5.458 -9.850 1.00 42.25 C ATOM 1190 CG ARG A 75 -26.872 -6.508 -10.487 1.00 2.31 C ATOM 1191 CD ARG A 75 -26.337 -6.043 -11.832 1.00 54.54 C ATOM 1192 NE ARG A 75 -24.884 -5.901 -11.825 1.00 21.21 N ATOM 1193 CZ ARG A 75 -24.161 -5.687 -12.918 1.00 64.44 C ATOM 1194 NH1 ARG A 75 -24.753 -5.590 -14.101 1.00 20.45 N ATOM 1195 NH2 ARG A 75 -22.842 -5.570 -12.831 1.00 2.35 N ATOM 0 H ARG A 75 -28.848 -3.130 -10.039 1.00 11.43 H new ATOM 0 HA ARG A 75 -28.900 -5.569 -11.673 1.00 51.04 H new ATOM 0 HB2 ARG A 75 -27.189 -4.549 -9.686 1.00 42.25 H new ATOM 0 HB3 ARG A 75 -28.089 -5.812 -8.870 1.00 42.25 H new ATOM 0 HG2 ARG A 75 -26.039 -6.730 -9.820 1.00 2.31 H new ATOM 0 HG3 ARG A 75 -27.431 -7.434 -10.617 1.00 2.31 H new ATOM 0 HD2 ARG A 75 -26.628 -6.756 -12.604 1.00 54.54 H new ATOM 0 HD3 ARG A 75 -26.793 -5.088 -12.093 1.00 54.54 H new ATOM 0 HE ARG A 75 -24.397 -5.970 -10.931 1.00 21.21 H new ATOM 0 HH11 ARG A 75 -25.766 -5.680 -14.173 1.00 20.45 H new ATOM 0 HH12 ARG A 75 -24.195 -5.426 -14.939 1.00 20.45 H new ATOM 0 HH21 ARG A 75 -22.382 -5.644 -11.924 1.00 2.35 H new ATOM 0 HH22 ARG A 75 -22.288 -5.406 -13.672 1.00 2.35 H new ATOM 1209 N ALA A 76 -30.148 -6.917 -9.530 1.00 23.22 N ATOM 1210 CA ALA A 76 -31.268 -7.574 -8.869 1.00 32.24 C ATOM 1211 C ALA A 76 -32.462 -7.702 -9.808 1.00 53.44 C ATOM 1212 O ALA A 76 -32.373 -7.371 -10.990 1.00 3.20 O ATOM 1213 CB ALA A 76 -31.662 -6.810 -7.613 1.00 25.52 C ATOM 0 H ALA A 76 -29.298 -7.479 -9.578 1.00 23.22 H new ATOM 0 HA ALA A 76 -30.952 -8.578 -8.587 1.00 32.24 H new ATOM 0 HB1 ALA A 76 -32.500 -7.312 -7.129 1.00 25.52 H new ATOM 0 HB2 ALA A 76 -30.815 -6.775 -6.928 1.00 25.52 H new ATOM 0 HB3 ALA A 76 -31.953 -5.795 -7.881 1.00 25.52 H new ATOM 1219 N GLY A 77 -33.581 -8.184 -9.275 1.00 63.22 N ATOM 1220 CA GLY A 77 -34.776 -8.347 -10.081 1.00 74.41 C ATOM 1221 C GLY A 77 -36.042 -8.015 -9.315 1.00 44.24 C ATOM 1222 O GLY A 77 -37.017 -8.766 -9.358 1.00 42.23 O ATOM 0 H GLY A 77 -33.681 -8.464 -8.299 1.00 63.22 H new ATOM 0 HA2 GLY A 77 -34.708 -7.706 -10.960 1.00 74.41 H new ATOM 0 HA3 GLY A 77 -34.831 -9.375 -10.440 1.00 74.41 H new ATOM 1226 N CYS A 78 -36.026 -6.888 -8.612 1.00 33.10 N ATOM 1227 CA CYS A 78 -37.181 -6.459 -7.831 1.00 1.23 C ATOM 1228 C CYS A 78 -37.502 -7.469 -6.734 1.00 62.54 C ATOM 1229 O CYS A 78 -36.772 -7.586 -5.751 1.00 3.42 O ATOM 1230 CB CYS A 78 -38.396 -6.271 -8.740 1.00 14.25 C ATOM 1231 SG CYS A 78 -39.324 -4.751 -8.427 1.00 10.45 S ATOM 0 H CYS A 78 -35.227 -6.255 -8.567 1.00 33.10 H new ATOM 0 HA CYS A 78 -36.937 -5.506 -7.361 1.00 1.23 H new ATOM 0 HB2 CYS A 78 -38.064 -6.274 -9.778 1.00 14.25 H new ATOM 0 HB3 CYS A 78 -39.064 -7.124 -8.617 1.00 14.25 H new ATOM 0 HG CYS A 78 -40.331 -4.681 -9.246 1.00 10.45 H new TER 1237 CYS A 78