USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 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+ -119:sc= -0.585 (180deg=-5.17!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.864 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -104:sc= -0.05 (180deg=-0.699) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00299 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -65:sc= 0.832 USER MOD Single : A 17 SER OG : rot -64:sc= 0.606 USER MOD Single : A 19 THR OG1 : rot -169:sc= 0.482 USER MOD Single : A 22 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5!) USER MOD Single : A 23 THR OG1 : rot 167:sc= 1.06 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 -68:sc= 0.994 USER MOD Single : A 40 ASN : amide:sc= -2.67 K(o=-2.7,f=-0.81) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 110:sc= -0.653 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0752 K(o=-0.075,f=-1.6) 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 -167:sc= 0 (180deg=-0.0807) USER MOD Single : A 67 THR OG1 : rot 53:sc= 0.279 USER MOD Single : A 69 HIS : no HD1:sc= -5.88! C(o=-5.9!,f=-7.9!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.093 -0.580 -0.378 1.00 22.43 N ATOM 2 CA MET A 1 1.822 -0.566 -1.641 1.00 54.51 C ATOM 3 C MET A 1 1.116 -1.425 -2.685 1.00 41.25 C ATOM 4 O MET A 1 0.644 -0.919 -3.704 1.00 53.33 O ATOM 5 CB MET A 1 3.253 -1.065 -1.435 1.00 51.01 C ATOM 6 CG MET A 1 4.174 -0.770 -2.608 1.00 1.14 C ATOM 7 SD MET A 1 5.882 -0.498 -2.098 1.00 1.23 S ATOM 8 CE MET A 1 6.441 0.629 -3.373 1.00 13.22 C ATOM 0 H1 MET A 1 0.792 0.387 -0.140 1.00 22.43 H new ATOM 0 H2 MET A 1 0.256 -1.191 -0.467 1.00 22.43 H new ATOM 0 H3 MET A 1 1.710 -0.945 0.375 1.00 22.43 H new ATOM 0 HA MET A 1 1.853 0.462 -2.003 1.00 54.51 H new ATOM 0 HB2 MET A 1 3.664 -0.605 -0.536 1.00 51.01 H new ATOM 0 HB3 MET A 1 3.233 -2.141 -1.261 1.00 51.01 H new ATOM 0 HG2 MET A 1 4.137 -1.601 -3.312 1.00 1.14 H new ATOM 0 HG3 MET A 1 3.812 0.112 -3.137 1.00 1.14 H new ATOM 0 HE1 MET A 1 7.484 0.891 -3.195 1.00 13.22 H new ATOM 0 HE2 MET A 1 6.348 0.150 -4.348 1.00 13.22 H new ATOM 0 HE3 MET A 1 5.831 1.532 -3.353 1.00 13.22 H new ATOM 18 N LEU A 2 1.048 -2.726 -2.427 1.00 3.05 N ATOM 19 CA LEU A 2 0.400 -3.656 -3.345 1.00 24.12 C ATOM 20 C LEU A 2 -0.940 -4.125 -2.789 1.00 14.12 C ATOM 21 O LEU A 2 -1.013 -4.659 -1.681 1.00 40.40 O ATOM 22 CB LEU A 2 1.307 -4.861 -3.606 1.00 15.44 C ATOM 23 CG LEU A 2 0.687 -6.006 -4.407 1.00 53.32 C ATOM 24 CD1 LEU A 2 1.745 -6.702 -5.249 1.00 52.10 C ATOM 25 CD2 LEU A 2 0.003 -6.998 -3.478 1.00 64.51 C ATOM 0 H LEU A 2 1.434 -3.161 -1.589 1.00 3.05 H new ATOM 0 HA LEU A 2 0.220 -3.134 -4.285 1.00 24.12 H new ATOM 0 HB2 LEU A 2 2.195 -4.514 -4.134 1.00 15.44 H new ATOM 0 HB3 LEU A 2 1.640 -5.255 -2.646 1.00 15.44 H new ATOM 0 HG LEU A 2 -0.065 -5.590 -5.077 1.00 53.32 H new ATOM 0 HD11 LEU A 2 1.285 -7.514 -5.812 1.00 52.10 H new ATOM 0 HD12 LEU A 2 2.188 -5.986 -5.941 1.00 52.10 H new ATOM 0 HD13 LEU A 2 2.521 -7.105 -4.598 1.00 52.10 H new ATOM 0 HD21 LEU A 2 -0.433 -7.806 -4.066 1.00 64.51 H new ATOM 0 HD22 LEU A 2 0.735 -7.409 -2.782 1.00 64.51 H new ATOM 0 HD23 LEU A 2 -0.784 -6.491 -2.920 1.00 64.51 H new ATOM 37 N LEU A 3 -2.000 -3.924 -3.565 1.00 65.32 N ATOM 38 CA LEU A 3 -3.339 -4.329 -3.152 1.00 2.42 C ATOM 39 C LEU A 3 -4.107 -4.941 -4.319 1.00 13.24 C ATOM 40 O LEU A 3 -3.907 -4.565 -5.474 1.00 14.53 O ATOM 41 CB LEU A 3 -4.106 -3.128 -2.595 1.00 31.33 C ATOM 42 CG LEU A 3 -4.699 -2.172 -3.630 1.00 14.23 C ATOM 43 CD1 LEU A 3 -5.604 -1.151 -2.957 1.00 30.34 C ATOM 44 CD2 LEU A 3 -3.593 -1.475 -4.408 1.00 61.10 C ATOM 0 H LEU A 3 -1.958 -3.483 -4.484 1.00 65.32 H new ATOM 0 HA LEU A 3 -3.240 -5.083 -2.372 1.00 2.42 H new ATOM 0 HB2 LEU A 3 -4.916 -3.499 -1.967 1.00 31.33 H new ATOM 0 HB3 LEU A 3 -3.435 -2.562 -1.949 1.00 31.33 H new ATOM 0 HG LEU A 3 -5.298 -2.753 -4.331 1.00 14.23 H new ATOM 0 HD11 LEU A 3 -6.017 -0.479 -3.709 1.00 30.34 H new ATOM 0 HD12 LEU A 3 -6.417 -1.667 -2.445 1.00 30.34 H new ATOM 0 HD13 LEU A 3 -5.027 -0.575 -2.233 1.00 30.34 H new ATOM 0 HD21 LEU A 3 -4.034 -0.798 -5.140 1.00 61.10 H new ATOM 0 HD22 LEU A 3 -2.967 -0.907 -3.720 1.00 61.10 H new ATOM 0 HD23 LEU A 3 -2.985 -2.219 -4.922 1.00 61.10 H new ATOM 56 N LYS A 4 -4.989 -5.885 -4.009 1.00 21.41 N ATOM 57 CA LYS A 4 -5.791 -6.548 -5.030 1.00 72.32 C ATOM 58 C LYS A 4 -7.258 -6.144 -4.918 1.00 4.43 C ATOM 59 O LYS A 4 -7.936 -6.493 -3.951 1.00 41.45 O ATOM 60 CB LYS A 4 -5.659 -8.068 -4.905 1.00 14.22 C ATOM 61 CG LYS A 4 -6.632 -8.837 -5.782 1.00 61.10 C ATOM 62 CD LYS A 4 -7.642 -9.610 -4.950 1.00 40.43 C ATOM 63 CE LYS A 4 -6.978 -10.732 -4.168 1.00 4.03 C ATOM 64 NZ LYS A 4 -7.544 -10.863 -2.797 1.00 1.24 N ATOM 0 H LYS A 4 -5.167 -6.208 -3.058 1.00 21.41 H new ATOM 0 HA LYS A 4 -5.420 -6.236 -6.006 1.00 72.32 H new ATOM 0 HB2 LYS A 4 -4.641 -8.358 -5.165 1.00 14.22 H new ATOM 0 HB3 LYS A 4 -5.816 -8.354 -3.865 1.00 14.22 H new ATOM 0 HG2 LYS A 4 -7.156 -8.144 -6.440 1.00 61.10 H new ATOM 0 HG3 LYS A 4 -6.080 -9.527 -6.420 1.00 61.10 H new ATOM 0 HD2 LYS A 4 -8.142 -8.931 -4.260 1.00 40.43 H new ATOM 0 HD3 LYS A 4 -8.411 -10.025 -5.602 1.00 40.43 H new ATOM 0 HE2 LYS A 4 -7.104 -11.672 -4.704 1.00 4.03 H new ATOM 0 HE3 LYS A 4 -5.906 -10.544 -4.102 1.00 4.03 H new ATOM 0 HZ1 LYS A 4 -6.878 -10.461 -2.107 1.00 1.24 H new ATOM 0 HZ2 LYS A 4 -8.448 -10.352 -2.744 1.00 1.24 H new ATOM 0 HZ3 LYS A 4 -7.702 -11.868 -2.581 1.00 1.24 H new ATOM 78 N VAL A 5 -7.741 -5.407 -5.913 1.00 14.44 N ATOM 79 CA VAL A 5 -9.128 -4.957 -5.926 1.00 52.14 C ATOM 80 C VAL A 5 -9.968 -5.795 -6.883 1.00 73.04 C ATOM 81 O VAL A 5 -9.612 -5.972 -8.049 1.00 23.15 O ATOM 82 CB VAL A 5 -9.234 -3.475 -6.332 1.00 4.43 C ATOM 83 CG1 VAL A 5 -8.521 -2.592 -5.318 1.00 53.13 C ATOM 84 CG2 VAL A 5 -8.667 -3.263 -7.727 1.00 44.23 C ATOM 0 H VAL A 5 -7.193 -5.109 -6.720 1.00 14.44 H new ATOM 0 HA VAL A 5 -9.509 -5.076 -4.912 1.00 52.14 H new ATOM 0 HB VAL A 5 -10.287 -3.194 -6.346 1.00 4.43 H new ATOM 0 HG11 VAL A 5 -8.606 -1.548 -5.621 1.00 53.13 H new ATOM 0 HG12 VAL A 5 -8.977 -2.723 -4.337 1.00 53.13 H new ATOM 0 HG13 VAL A 5 -7.468 -2.871 -5.269 1.00 53.13 H new ATOM 0 HG21 VAL A 5 -8.750 -2.210 -7.997 1.00 44.23 H new ATOM 0 HG22 VAL A 5 -7.618 -3.560 -7.743 1.00 44.23 H new ATOM 0 HG23 VAL A 5 -9.226 -3.867 -8.442 1.00 44.23 H new ATOM 94 N LYS A 6 -11.087 -6.309 -6.384 1.00 72.45 N ATOM 95 CA LYS A 6 -11.981 -7.128 -7.195 1.00 31.35 C ATOM 96 C LYS A 6 -13.413 -6.606 -7.122 1.00 24.41 C ATOM 97 O LYS A 6 -13.983 -6.476 -6.038 1.00 73.54 O ATOM 98 CB LYS A 6 -11.934 -8.585 -6.729 1.00 30.25 C ATOM 99 CG LYS A 6 -12.207 -8.758 -5.244 1.00 60.34 C ATOM 100 CD LYS A 6 -11.223 -9.723 -4.605 1.00 65.22 C ATOM 101 CE LYS A 6 -11.805 -11.124 -4.499 1.00 65.53 C ATOM 102 NZ LYS A 6 -10.844 -12.161 -4.968 1.00 64.11 N ATOM 0 H LYS A 6 -11.397 -6.173 -5.422 1.00 72.45 H new ATOM 0 HA LYS A 6 -11.645 -7.073 -8.230 1.00 31.35 H new ATOM 0 HB2 LYS A 6 -12.666 -9.162 -7.294 1.00 30.25 H new ATOM 0 HB3 LYS A 6 -10.953 -9.000 -6.960 1.00 30.25 H new ATOM 0 HG2 LYS A 6 -12.144 -7.790 -4.746 1.00 60.34 H new ATOM 0 HG3 LYS A 6 -13.223 -9.125 -5.100 1.00 60.34 H new ATOM 0 HD2 LYS A 6 -10.306 -9.752 -5.194 1.00 65.22 H new ATOM 0 HD3 LYS A 6 -10.953 -9.364 -3.612 1.00 65.22 H new ATOM 0 HE2 LYS A 6 -12.080 -11.326 -3.464 1.00 65.53 H new ATOM 0 HE3 LYS A 6 -12.720 -11.183 -5.089 1.00 65.53 H new ATOM 0 HZ1 LYS A 6 -11.278 -13.102 -4.880 1.00 64.11 H new ATOM 0 HZ2 LYS A 6 -10.601 -11.984 -5.964 1.00 64.11 H new ATOM 0 HZ3 LYS A 6 -9.981 -12.122 -4.389 1.00 64.11 H new ATOM 116 N THR A 7 -13.989 -6.309 -8.282 1.00 71.35 N ATOM 117 CA THR A 7 -15.354 -5.802 -8.350 1.00 63.13 C ATOM 118 C THR A 7 -16.364 -6.944 -8.384 1.00 45.43 C ATOM 119 O THR A 7 -15.997 -8.105 -8.568 1.00 14.50 O ATOM 120 CB THR A 7 -15.561 -4.911 -9.590 1.00 30.33 C ATOM 121 OG1 THR A 7 -14.309 -4.356 -10.009 1.00 73.40 O ATOM 122 CG2 THR A 7 -16.544 -3.790 -9.292 1.00 13.45 C ATOM 0 H THR A 7 -13.531 -6.411 -9.188 1.00 71.35 H new ATOM 0 HA THR A 7 -15.515 -5.205 -7.452 1.00 63.13 H new ATOM 0 HB THR A 7 -15.970 -5.528 -10.390 1.00 30.33 H new ATOM 0 HG1 THR A 7 -14.449 -3.792 -10.798 1.00 73.40 H new ATOM 0 HG21 THR A 7 -16.674 -3.174 -10.182 1.00 13.45 H new ATOM 0 HG22 THR A 7 -17.504 -4.216 -9.002 1.00 13.45 H new ATOM 0 HG23 THR A 7 -16.159 -3.175 -8.478 1.00 13.45 H new ATOM 130 N VAL A 8 -17.637 -6.606 -8.207 1.00 31.51 N ATOM 131 CA VAL A 8 -18.701 -7.604 -8.219 1.00 43.42 C ATOM 132 C VAL A 8 -18.844 -8.237 -9.598 1.00 61.34 C ATOM 133 O VAL A 8 -19.521 -9.253 -9.759 1.00 50.31 O ATOM 134 CB VAL A 8 -20.051 -6.989 -7.806 1.00 52.11 C ATOM 135 CG1 VAL A 8 -20.512 -5.970 -8.837 1.00 3.41 C ATOM 136 CG2 VAL A 8 -21.096 -8.078 -7.617 1.00 53.02 C ATOM 0 H VAL A 8 -17.957 -5.650 -8.054 1.00 31.51 H new ATOM 0 HA VAL A 8 -18.424 -8.372 -7.497 1.00 43.42 H new ATOM 0 HB VAL A 8 -19.920 -6.473 -6.855 1.00 52.11 H new ATOM 0 HG11 VAL A 8 -21.468 -5.546 -8.528 1.00 3.41 H new ATOM 0 HG12 VAL A 8 -19.772 -5.174 -8.918 1.00 3.41 H new ATOM 0 HG13 VAL A 8 -20.628 -6.458 -9.805 1.00 3.41 H new ATOM 0 HG21 VAL A 8 -22.044 -7.626 -7.325 1.00 53.02 H new ATOM 0 HG22 VAL A 8 -21.226 -8.623 -8.552 1.00 53.02 H new ATOM 0 HG23 VAL A 8 -20.767 -8.766 -6.838 1.00 53.02 H new ATOM 146 N SER A 9 -18.201 -7.631 -10.592 1.00 32.43 N ATOM 147 CA SER A 9 -18.259 -8.134 -11.959 1.00 74.41 C ATOM 148 C SER A 9 -17.153 -9.155 -12.210 1.00 53.10 C ATOM 149 O SER A 9 -16.880 -9.521 -13.352 1.00 24.40 O ATOM 150 CB SER A 9 -18.139 -6.980 -12.955 1.00 51.44 C ATOM 151 OG SER A 9 -19.413 -6.580 -13.429 1.00 14.43 O ATOM 0 H SER A 9 -17.634 -6.791 -10.475 1.00 32.43 H new ATOM 0 HA SER A 9 -19.222 -8.626 -12.098 1.00 74.41 H new ATOM 0 HB2 SER A 9 -17.643 -6.134 -12.478 1.00 51.44 H new ATOM 0 HB3 SER A 9 -17.514 -7.284 -13.795 1.00 51.44 H new ATOM 0 HG SER A 9 -19.309 -5.840 -14.063 1.00 14.43 H new ATOM 157 N ASN A 10 -16.521 -9.609 -11.133 1.00 61.51 N ATOM 158 CA ASN A 10 -15.444 -10.587 -11.235 1.00 63.42 C ATOM 159 C ASN A 10 -14.217 -9.978 -11.908 1.00 14.45 C ATOM 160 O ASN A 10 -13.501 -10.652 -12.648 1.00 31.35 O ATOM 161 CB ASN A 10 -15.913 -11.814 -12.021 1.00 1.34 C ATOM 162 CG ASN A 10 -15.560 -13.115 -11.326 1.00 41.11 C ATOM 163 OD1 ASN A 10 -14.404 -13.348 -10.971 1.00 35.21 O ATOM 164 ND2 ASN A 10 -16.557 -13.970 -11.130 1.00 2.13 N ATOM 0 H ASN A 10 -16.736 -9.316 -10.180 1.00 61.51 H new ATOM 0 HA ASN A 10 -15.169 -10.893 -10.226 1.00 63.42 H new ATOM 0 HB2 ASN A 10 -16.993 -11.761 -12.161 1.00 1.34 H new ATOM 0 HB3 ASN A 10 -15.462 -11.801 -13.013 1.00 1.34 H new ATOM 0 HD21 ASN A 10 -16.380 -14.862 -10.668 1.00 2.13 H new ATOM 0 HD22 ASN A 10 -17.499 -13.734 -11.441 1.00 2.13 H new ATOM 171 N LYS A 11 -13.981 -8.697 -11.645 1.00 2.14 N ATOM 172 CA LYS A 11 -12.841 -7.995 -12.222 1.00 4.35 C ATOM 173 C LYS A 11 -11.772 -7.733 -11.165 1.00 42.33 C ATOM 174 O LYS A 11 -11.787 -6.700 -10.495 1.00 32.32 O ATOM 175 CB LYS A 11 -13.292 -6.672 -12.845 1.00 11.14 C ATOM 176 CG LYS A 11 -14.086 -6.844 -14.128 1.00 43.33 C ATOM 177 CD LYS A 11 -14.293 -5.516 -14.837 1.00 73.05 C ATOM 178 CE LYS A 11 -14.286 -5.684 -16.349 1.00 60.51 C ATOM 179 NZ LYS A 11 -13.287 -4.794 -17.002 1.00 4.14 N ATOM 0 H LYS A 11 -14.565 -8.124 -11.036 1.00 2.14 H new ATOM 0 HA LYS A 11 -12.412 -8.628 -12.999 1.00 4.35 H new ATOM 0 HB2 LYS A 11 -13.899 -6.128 -12.122 1.00 11.14 H new ATOM 0 HB3 LYS A 11 -12.415 -6.059 -13.050 1.00 11.14 H new ATOM 0 HG2 LYS A 11 -13.564 -7.534 -14.791 1.00 43.33 H new ATOM 0 HG3 LYS A 11 -15.054 -7.291 -13.901 1.00 43.33 H new ATOM 0 HD2 LYS A 11 -15.241 -5.079 -14.523 1.00 73.05 H new ATOM 0 HD3 LYS A 11 -13.508 -4.819 -14.544 1.00 73.05 H new ATOM 0 HE2 LYS A 11 -14.065 -6.722 -16.598 1.00 60.51 H new ATOM 0 HE3 LYS A 11 -15.279 -5.466 -16.743 1.00 60.51 H new ATOM 0 HZ1 LYS A 11 -13.314 -4.939 -18.032 1.00 4.14 H new ATOM 0 HZ2 LYS A 11 -13.512 -3.802 -16.786 1.00 4.14 H new ATOM 0 HZ3 LYS A 11 -12.336 -5.019 -16.645 1.00 4.14 H new ATOM 193 N VAL A 12 -10.843 -8.673 -11.023 1.00 74.42 N ATOM 194 CA VAL A 12 -9.765 -8.543 -10.050 1.00 52.34 C ATOM 195 C VAL A 12 -8.524 -7.925 -10.685 1.00 73.21 C ATOM 196 O VAL A 12 -8.107 -8.325 -11.773 1.00 2.35 O ATOM 197 CB VAL A 12 -9.392 -9.907 -9.440 1.00 44.41 C ATOM 198 CG1 VAL A 12 -8.384 -9.730 -8.314 1.00 71.03 C ATOM 199 CG2 VAL A 12 -10.636 -10.627 -8.945 1.00 34.14 C ATOM 0 H VAL A 12 -10.815 -9.533 -11.570 1.00 74.42 H new ATOM 0 HA VAL A 12 -10.129 -7.888 -9.259 1.00 52.34 H new ATOM 0 HB VAL A 12 -8.931 -10.519 -10.215 1.00 44.41 H new ATOM 0 HG11 VAL A 12 -8.132 -10.704 -7.895 1.00 71.03 H new ATOM 0 HG12 VAL A 12 -7.482 -9.258 -8.704 1.00 71.03 H new ATOM 0 HG13 VAL A 12 -8.815 -9.100 -7.536 1.00 71.03 H new ATOM 0 HG21 VAL A 12 -10.354 -11.589 -8.517 1.00 34.14 H new ATOM 0 HG22 VAL A 12 -11.128 -10.022 -8.184 1.00 34.14 H new ATOM 0 HG23 VAL A 12 -11.320 -10.787 -9.779 1.00 34.14 H new ATOM 209 N ILE A 13 -7.939 -6.950 -9.999 1.00 3.41 N ATOM 210 CA ILE A 13 -6.744 -6.278 -10.495 1.00 11.10 C ATOM 211 C ILE A 13 -5.698 -6.133 -9.395 1.00 21.20 C ATOM 212 O ILE A 13 -5.927 -5.456 -8.393 1.00 70.40 O ATOM 213 CB ILE A 13 -7.075 -4.884 -11.059 1.00 55.24 C ATOM 214 CG1 ILE A 13 -8.105 -4.997 -12.185 1.00 51.05 C ATOM 215 CG2 ILE A 13 -5.811 -4.200 -11.557 1.00 50.32 C ATOM 216 CD1 ILE A 13 -7.619 -5.803 -13.370 1.00 33.14 C ATOM 0 H ILE A 13 -8.273 -6.607 -9.098 1.00 3.41 H new ATOM 0 HA ILE A 13 -6.343 -6.899 -11.296 1.00 11.10 H new ATOM 0 HB ILE A 13 -7.502 -4.277 -10.260 1.00 55.24 H new ATOM 0 HG12 ILE A 13 -9.012 -5.455 -11.792 1.00 51.05 H new ATOM 0 HG13 ILE A 13 -8.374 -3.996 -12.522 1.00 51.05 H new ATOM 0 HG21 ILE A 13 -6.062 -3.216 -11.953 1.00 50.32 H new ATOM 0 HG22 ILE A 13 -5.107 -4.091 -10.732 1.00 50.32 H new ATOM 0 HG23 ILE A 13 -5.357 -4.802 -12.344 1.00 50.32 H new ATOM 0 HD11 ILE A 13 -8.400 -5.841 -14.129 1.00 33.14 H new ATOM 0 HD12 ILE A 13 -6.729 -5.334 -13.789 1.00 33.14 H new ATOM 0 HD13 ILE A 13 -7.377 -6.816 -13.047 1.00 33.14 H new ATOM 228 N GLN A 14 -4.549 -6.772 -9.591 1.00 31.23 N ATOM 229 CA GLN A 14 -3.467 -6.713 -8.615 1.00 61.43 C ATOM 230 C GLN A 14 -2.374 -5.753 -9.072 1.00 65.55 C ATOM 231 O GLN A 14 -1.691 -6.003 -10.067 1.00 31.24 O ATOM 232 CB GLN A 14 -2.878 -8.107 -8.391 1.00 64.02 C ATOM 233 CG GLN A 14 -2.461 -8.805 -9.676 1.00 22.14 C ATOM 234 CD GLN A 14 -3.260 -10.066 -9.941 1.00 2.25 C ATOM 235 OE1 GLN A 14 -4.011 -10.146 -10.913 1.00 44.12 O ATOM 236 NE2 GLN A 14 -3.102 -11.060 -9.074 1.00 51.13 N ATOM 0 H GLN A 14 -4.343 -7.336 -10.416 1.00 31.23 H new ATOM 0 HA GLN A 14 -3.878 -6.345 -7.675 1.00 61.43 H new ATOM 0 HB2 GLN A 14 -2.012 -8.025 -7.734 1.00 64.02 H new ATOM 0 HB3 GLN A 14 -3.613 -8.724 -7.874 1.00 64.02 H new ATOM 0 HG2 GLN A 14 -2.584 -8.119 -10.514 1.00 22.14 H new ATOM 0 HG3 GLN A 14 -1.402 -9.055 -9.622 1.00 22.14 H new ATOM 0 HE21 GLN A 14 -2.469 -10.950 -8.282 1.00 51.13 H new ATOM 0 HE22 GLN A 14 -3.614 -11.933 -9.200 1.00 51.13 H new ATOM 245 N ILE A 15 -2.213 -4.656 -8.341 1.00 51.22 N ATOM 246 CA ILE A 15 -1.202 -3.659 -8.672 1.00 20.32 C ATOM 247 C ILE A 15 -0.217 -3.473 -7.523 1.00 31.24 C ATOM 248 O ILE A 15 -0.554 -3.693 -6.359 1.00 14.33 O ATOM 249 CB ILE A 15 -1.841 -2.300 -9.011 1.00 12.44 C ATOM 250 CG1 ILE A 15 -2.666 -1.790 -7.827 1.00 33.41 C ATOM 251 CG2 ILE A 15 -2.708 -2.417 -10.256 1.00 25.24 C ATOM 252 CD1 ILE A 15 -4.096 -2.285 -7.829 1.00 63.43 C ATOM 0 H ILE A 15 -2.769 -4.435 -7.515 1.00 51.22 H new ATOM 0 HA ILE A 15 -0.669 -4.029 -9.548 1.00 20.32 H new ATOM 0 HB ILE A 15 -1.046 -1.582 -9.212 1.00 12.44 H new ATOM 0 HG12 ILE A 15 -2.184 -2.099 -6.899 1.00 33.41 H new ATOM 0 HG13 ILE A 15 -2.667 -0.700 -7.838 1.00 33.41 H new ATOM 0 HG21 ILE A 15 -3.153 -1.448 -10.482 1.00 25.24 H new ATOM 0 HG22 ILE A 15 -2.095 -2.740 -11.097 1.00 25.24 H new ATOM 0 HG23 ILE A 15 -3.499 -3.147 -10.082 1.00 25.24 H new ATOM 0 HD11 ILE A 15 -4.621 -1.884 -6.962 1.00 63.43 H new ATOM 0 HD12 ILE A 15 -4.594 -1.954 -8.740 1.00 63.43 H new ATOM 0 HD13 ILE A 15 -4.104 -3.374 -7.787 1.00 63.43 H new ATOM 264 N THR A 16 1.003 -3.065 -7.856 1.00 43.24 N ATOM 265 CA THR A 16 2.038 -2.848 -6.853 1.00 52.00 C ATOM 266 C THR A 16 2.544 -1.410 -6.887 1.00 32.42 C ATOM 267 O THR A 16 3.711 -1.160 -7.187 1.00 70.01 O ATOM 268 CB THR A 16 3.228 -3.804 -7.058 1.00 20.14 C ATOM 269 OG1 THR A 16 4.288 -3.466 -6.157 1.00 24.15 O ATOM 270 CG2 THR A 16 3.734 -3.740 -8.491 1.00 12.41 C ATOM 0 H THR A 16 1.299 -2.878 -8.814 1.00 43.24 H new ATOM 0 HA THR A 16 1.584 -3.048 -5.882 1.00 52.00 H new ATOM 0 HB THR A 16 2.889 -4.820 -6.855 1.00 20.14 H new ATOM 0 HG1 THR A 16 4.637 -2.578 -6.381 1.00 24.15 H new ATOM 0 HG21 THR A 16 4.574 -4.424 -8.611 1.00 12.41 H new ATOM 0 HG22 THR A 16 2.933 -4.026 -9.173 1.00 12.41 H new ATOM 0 HG23 THR A 16 4.058 -2.724 -8.718 1.00 12.41 H new ATOM 278 N SER A 17 1.658 -0.469 -6.576 1.00 44.13 N ATOM 279 CA SER A 17 2.015 0.945 -6.574 1.00 42.02 C ATOM 280 C SER A 17 0.896 1.787 -5.968 1.00 62.23 C ATOM 281 O SER A 17 0.067 2.348 -6.686 1.00 20.30 O ATOM 282 CB SER A 17 2.312 1.420 -7.998 1.00 23.11 C ATOM 283 OG SER A 17 2.196 2.828 -8.100 1.00 52.45 O ATOM 0 H SER A 17 0.689 -0.660 -6.322 1.00 44.13 H new ATOM 0 HA SER A 17 2.910 1.068 -5.964 1.00 42.02 H new ATOM 0 HB2 SER A 17 3.318 1.113 -8.285 1.00 23.11 H new ATOM 0 HB3 SER A 17 1.622 0.944 -8.695 1.00 23.11 H new ATOM 0 HG SER A 17 1.270 3.094 -7.922 1.00 52.45 H new ATOM 289 N LEU A 18 0.879 1.870 -4.643 1.00 2.43 N ATOM 290 CA LEU A 18 -0.137 2.644 -3.938 1.00 35.41 C ATOM 291 C LEU A 18 0.450 3.937 -3.381 1.00 62.54 C ATOM 292 O LEU A 18 1.644 4.015 -3.091 1.00 24.41 O ATOM 293 CB LEU A 18 -0.741 1.814 -2.803 1.00 12.51 C ATOM 294 CG LEU A 18 -2.151 1.273 -3.044 1.00 23.22 C ATOM 295 CD1 LEU A 18 -2.628 0.473 -1.841 1.00 41.34 C ATOM 296 CD2 LEU A 18 -3.115 2.410 -3.347 1.00 3.52 C ATOM 0 H LEU A 18 1.557 1.411 -4.035 1.00 2.43 H new ATOM 0 HA LEU A 18 -0.921 2.901 -4.650 1.00 35.41 H new ATOM 0 HB2 LEU A 18 -0.079 0.971 -2.604 1.00 12.51 H new ATOM 0 HB3 LEU A 18 -0.757 2.426 -1.901 1.00 12.51 H new ATOM 0 HG LEU A 18 -2.122 0.609 -3.908 1.00 23.22 H new ATOM 0 HD11 LEU A 18 -3.633 0.096 -2.030 1.00 41.34 H new ATOM 0 HD12 LEU A 18 -1.952 -0.365 -1.670 1.00 41.34 H new ATOM 0 HD13 LEU A 18 -2.641 1.114 -0.960 1.00 41.34 H new ATOM 0 HD21 LEU A 18 -4.113 2.006 -3.516 1.00 3.52 H new ATOM 0 HD22 LEU A 18 -3.141 3.100 -2.503 1.00 3.52 H new ATOM 0 HD23 LEU A 18 -2.783 2.940 -4.239 1.00 3.52 H new ATOM 308 N THR A 19 -0.397 4.950 -3.233 1.00 53.10 N ATOM 309 CA THR A 19 0.037 6.239 -2.710 1.00 41.33 C ATOM 310 C THR A 19 -0.065 6.279 -1.190 1.00 33.01 C ATOM 311 O THR A 19 -0.513 5.319 -0.563 1.00 70.52 O ATOM 312 CB THR A 19 -0.795 7.394 -3.300 1.00 30.22 C ATOM 313 OG1 THR A 19 -1.439 6.967 -4.506 1.00 12.44 O ATOM 314 CG2 THR A 19 0.083 8.602 -3.588 1.00 64.20 C ATOM 0 H THR A 19 -1.388 4.903 -3.468 1.00 53.10 H new ATOM 0 HA THR A 19 1.079 6.364 -3.004 1.00 41.33 H new ATOM 0 HB THR A 19 -1.549 7.680 -2.567 1.00 30.22 H new ATOM 0 HG1 THR A 19 -1.820 7.744 -4.966 1.00 12.44 H new ATOM 0 HG21 THR A 19 -0.527 9.404 -4.004 1.00 64.20 H new ATOM 0 HG22 THR A 19 0.549 8.942 -2.663 1.00 64.20 H new ATOM 0 HG23 THR A 19 0.857 8.327 -4.304 1.00 64.20 H new ATOM 322 N ASP A 20 0.351 7.395 -0.603 1.00 5.24 N ATOM 323 CA ASP A 20 0.305 7.561 0.846 1.00 72.45 C ATOM 324 C ASP A 20 -0.501 8.799 1.225 1.00 2.14 C ATOM 325 O ASP A 20 -0.623 9.135 2.403 1.00 0.15 O ATOM 326 CB ASP A 20 1.721 7.664 1.414 1.00 31.24 C ATOM 327 CG ASP A 20 2.656 8.436 0.504 1.00 34.02 C ATOM 328 OD1 ASP A 20 2.565 9.681 0.479 1.00 2.52 O ATOM 329 OD2 ASP A 20 3.478 7.795 -0.183 1.00 30.14 O ATOM 0 H ASP A 20 0.724 8.199 -1.108 1.00 5.24 H new ATOM 0 HA ASP A 20 -0.186 6.686 1.272 1.00 72.45 H new ATOM 0 HB2 ASP A 20 1.684 8.151 2.389 1.00 31.24 H new ATOM 0 HB3 ASP A 20 2.119 6.662 1.573 1.00 31.24 H new ATOM 334 N ASP A 21 -1.047 9.474 0.220 1.00 11.22 N ATOM 335 CA ASP A 21 -1.841 10.676 0.448 1.00 32.15 C ATOM 336 C ASP A 21 -3.330 10.345 0.483 1.00 0.10 C ATOM 337 O ASP A 21 -4.038 10.723 1.415 1.00 32.12 O ATOM 338 CB ASP A 21 -1.562 11.712 -0.641 1.00 5.41 C ATOM 339 CG ASP A 21 -0.886 12.956 -0.097 1.00 71.02 C ATOM 340 OD1 ASP A 21 -1.242 13.383 1.021 1.00 52.45 O ATOM 341 OD2 ASP A 21 -0.002 13.502 -0.790 1.00 1.41 O ATOM 0 H ASP A 21 -0.955 9.210 -0.761 1.00 11.22 H new ATOM 0 HA ASP A 21 -1.556 11.091 1.415 1.00 32.15 H new ATOM 0 HB2 ASP A 21 -0.931 11.266 -1.410 1.00 5.41 H new ATOM 0 HB3 ASP A 21 -2.500 11.992 -1.121 1.00 5.41 H new ATOM 346 N ASN A 22 -3.798 9.638 -0.540 1.00 63.15 N ATOM 347 CA ASN A 22 -5.203 9.258 -0.628 1.00 61.50 C ATOM 348 C ASN A 22 -5.359 7.740 -0.600 1.00 4.13 C ATOM 349 O ASN A 22 -6.237 7.207 0.079 1.00 21.11 O ATOM 350 CB ASN A 22 -5.827 9.822 -1.906 1.00 62.31 C ATOM 351 CG ASN A 22 -6.220 11.279 -1.763 1.00 10.32 C ATOM 352 OD1 ASN A 22 -6.575 11.734 -0.675 1.00 43.12 O ATOM 353 ND2 ASN A 22 -6.159 12.019 -2.864 1.00 1.43 N ATOM 0 H ASN A 22 -3.225 9.317 -1.320 1.00 63.15 H new ATOM 0 HA ASN A 22 -5.721 9.675 0.236 1.00 61.50 H new ATOM 0 HB2 ASN A 22 -5.120 9.718 -2.729 1.00 62.31 H new ATOM 0 HB3 ASN A 22 -6.708 9.235 -2.167 1.00 62.31 H new ATOM 0 HD21 ASN A 22 -6.412 13.007 -2.829 1.00 1.43 H new ATOM 0 HD22 ASN A 22 -5.859 11.600 -3.744 1.00 1.43 H new ATOM 360 N THR A 23 -4.499 7.048 -1.342 1.00 11.53 N ATOM 361 CA THR A 23 -4.541 5.593 -1.403 1.00 23.04 C ATOM 362 C THR A 23 -5.876 5.104 -1.951 1.00 60.45 C ATOM 363 O THR A 23 -5.995 4.798 -3.138 1.00 71.33 O ATOM 364 CB THR A 23 -4.308 4.966 -0.015 1.00 61.32 C ATOM 365 OG1 THR A 23 -2.986 5.270 0.444 1.00 32.44 O ATOM 366 CG2 THR A 23 -4.499 3.457 -0.064 1.00 41.33 C ATOM 0 H THR A 23 -3.765 7.473 -1.909 1.00 11.53 H new ATOM 0 HA THR A 23 -3.740 5.281 -2.074 1.00 23.04 H new ATOM 0 HB THR A 23 -5.038 5.386 0.677 1.00 61.32 H new ATOM 0 HG1 THR A 23 -2.914 5.059 1.398 1.00 32.44 H new ATOM 0 HG21 THR A 23 -4.329 3.036 0.927 1.00 41.33 H new ATOM 0 HG22 THR A 23 -5.515 3.229 -0.386 1.00 41.33 H new ATOM 0 HG23 THR A 23 -3.789 3.023 -0.769 1.00 41.33 H new ATOM 374 N ILE A 24 -6.878 5.033 -1.081 1.00 64.54 N ATOM 375 CA ILE A 24 -8.205 4.582 -1.481 1.00 31.24 C ATOM 376 C ILE A 24 -8.894 5.615 -2.365 1.00 44.53 C ATOM 377 O ILE A 24 -9.403 5.289 -3.437 1.00 13.41 O ATOM 378 CB ILE A 24 -9.095 4.297 -0.256 1.00 64.41 C ATOM 379 CG1 ILE A 24 -8.423 3.273 0.662 1.00 75.22 C ATOM 380 CG2 ILE A 24 -10.463 3.802 -0.700 1.00 32.45 C ATOM 381 CD1 ILE A 24 -7.625 3.899 1.784 1.00 41.05 C ATOM 0 H ILE A 24 -6.796 5.282 -0.095 1.00 64.54 H new ATOM 0 HA ILE A 24 -8.068 3.659 -2.044 1.00 31.24 H new ATOM 0 HB ILE A 24 -9.229 5.224 0.302 1.00 64.41 H new ATOM 0 HG12 ILE A 24 -9.187 2.623 1.089 1.00 75.22 H new ATOM 0 HG13 ILE A 24 -7.764 2.641 0.067 1.00 75.22 H new ATOM 0 HG21 ILE A 24 -11.081 3.605 0.176 1.00 32.45 H new ATOM 0 HG22 ILE A 24 -10.942 4.562 -1.318 1.00 32.45 H new ATOM 0 HG23 ILE A 24 -10.348 2.884 -1.277 1.00 32.45 H new ATOM 0 HD11 ILE A 24 -7.177 3.114 2.394 1.00 41.05 H new ATOM 0 HD12 ILE A 24 -6.838 4.526 1.365 1.00 41.05 H new ATOM 0 HD13 ILE A 24 -8.284 4.508 2.403 1.00 41.05 H new ATOM 393 N ALA A 25 -8.903 6.864 -1.910 1.00 22.01 N ATOM 394 CA ALA A 25 -9.525 7.947 -2.662 1.00 20.23 C ATOM 395 C ALA A 25 -8.899 8.085 -4.045 1.00 62.02 C ATOM 396 O ALA A 25 -9.594 8.338 -5.028 1.00 74.22 O ATOM 397 CB ALA A 25 -9.410 9.256 -1.895 1.00 23.21 C ATOM 0 H ALA A 25 -8.486 7.151 -1.024 1.00 22.01 H new ATOM 0 HA ALA A 25 -10.580 7.707 -2.792 1.00 20.23 H new ATOM 0 HB1 ALA A 25 -9.879 10.056 -2.468 1.00 23.21 H new ATOM 0 HB2 ALA A 25 -9.911 9.158 -0.932 1.00 23.21 H new ATOM 0 HB3 ALA A 25 -8.358 9.493 -1.735 1.00 23.21 H new ATOM 403 N GLU A 26 -7.582 7.918 -4.113 1.00 43.21 N ATOM 404 CA GLU A 26 -6.863 8.026 -5.377 1.00 42.31 C ATOM 405 C GLU A 26 -7.209 6.862 -6.301 1.00 52.43 C ATOM 406 O GLU A 26 -7.367 7.040 -7.510 1.00 1.11 O ATOM 407 CB GLU A 26 -5.353 8.063 -5.129 1.00 54.43 C ATOM 408 CG GLU A 26 -4.528 8.102 -6.404 1.00 60.55 C ATOM 409 CD GLU A 26 -3.662 9.343 -6.502 1.00 74.32 C ATOM 410 OE1 GLU A 26 -2.614 9.389 -5.826 1.00 24.44 O ATOM 411 OE2 GLU A 26 -4.033 10.268 -7.254 1.00 73.24 O ATOM 0 H GLU A 26 -6.992 7.708 -3.308 1.00 43.21 H new ATOM 0 HA GLU A 26 -7.168 8.954 -5.860 1.00 42.31 H new ATOM 0 HB2 GLU A 26 -5.114 8.938 -4.525 1.00 54.43 H new ATOM 0 HB3 GLU A 26 -5.067 7.186 -4.548 1.00 54.43 H new ATOM 0 HG2 GLU A 26 -3.894 7.217 -6.449 1.00 60.55 H new ATOM 0 HG3 GLU A 26 -5.195 8.060 -7.265 1.00 60.55 H new ATOM 418 N LEU A 27 -7.325 5.671 -5.725 1.00 14.44 N ATOM 419 CA LEU A 27 -7.653 4.477 -6.495 1.00 64.23 C ATOM 420 C LEU A 27 -9.066 4.564 -7.062 1.00 12.25 C ATOM 421 O LEU A 27 -9.286 4.333 -8.251 1.00 31.24 O ATOM 422 CB LEU A 27 -7.517 3.229 -5.621 1.00 74.10 C ATOM 423 CG LEU A 27 -6.453 2.219 -6.052 1.00 41.41 C ATOM 424 CD1 LEU A 27 -6.496 0.986 -5.164 1.00 31.14 C ATOM 425 CD2 LEU A 27 -6.643 1.834 -7.512 1.00 11.30 C ATOM 0 H LEU A 27 -7.197 5.506 -4.727 1.00 14.44 H new ATOM 0 HA LEU A 27 -6.952 4.408 -7.327 1.00 64.23 H new ATOM 0 HB2 LEU A 27 -7.296 3.546 -4.602 1.00 74.10 H new ATOM 0 HB3 LEU A 27 -8.481 2.722 -5.595 1.00 74.10 H new ATOM 0 HG LEU A 27 -5.473 2.685 -5.944 1.00 41.41 H new ATOM 0 HD11 LEU A 27 -5.732 0.279 -5.486 1.00 31.14 H new ATOM 0 HD12 LEU A 27 -6.310 1.276 -4.130 1.00 31.14 H new ATOM 0 HD13 LEU A 27 -7.478 0.518 -5.238 1.00 31.14 H new ATOM 0 HD21 LEU A 27 -5.877 1.115 -7.801 1.00 11.30 H new ATOM 0 HD22 LEU A 27 -7.629 1.388 -7.645 1.00 11.30 H new ATOM 0 HD23 LEU A 27 -6.560 2.723 -8.137 1.00 11.30 H new ATOM 437 N LYS A 28 -10.022 4.902 -6.203 1.00 31.14 N ATOM 438 CA LYS A 28 -11.415 5.024 -6.616 1.00 41.14 C ATOM 439 C LYS A 28 -11.590 6.173 -7.604 1.00 13.42 C ATOM 440 O LYS A 28 -12.346 6.066 -8.569 1.00 23.42 O ATOM 441 CB LYS A 28 -12.313 5.244 -5.397 1.00 72.30 C ATOM 442 CG LYS A 28 -12.047 6.552 -4.673 1.00 2.00 C ATOM 443 CD LYS A 28 -12.857 6.655 -3.392 1.00 12.42 C ATOM 444 CE LYS A 28 -14.350 6.706 -3.679 1.00 40.21 C ATOM 445 NZ LYS A 28 -15.111 7.315 -2.553 1.00 51.34 N ATOM 0 H LYS A 28 -9.857 5.096 -5.215 1.00 31.14 H new ATOM 0 HA LYS A 28 -11.704 4.096 -7.109 1.00 41.14 H new ATOM 0 HB2 LYS A 28 -13.355 5.220 -5.715 1.00 72.30 H new ATOM 0 HB3 LYS A 28 -12.174 4.418 -4.700 1.00 72.30 H new ATOM 0 HG2 LYS A 28 -10.985 6.631 -4.440 1.00 2.00 H new ATOM 0 HG3 LYS A 28 -12.293 7.388 -5.328 1.00 2.00 H new ATOM 0 HD2 LYS A 28 -12.637 5.801 -2.752 1.00 12.42 H new ATOM 0 HD3 LYS A 28 -12.560 7.549 -2.843 1.00 12.42 H new ATOM 0 HE2 LYS A 28 -14.525 7.280 -4.589 1.00 40.21 H new ATOM 0 HE3 LYS A 28 -14.719 5.697 -3.863 1.00 40.21 H new ATOM 0 HZ1 LYS A 28 -16.124 7.331 -2.787 1.00 51.34 H new ATOM 0 HZ2 LYS A 28 -14.964 6.753 -1.691 1.00 51.34 H new ATOM 0 HZ3 LYS A 28 -14.777 8.287 -2.394 1.00 51.34 H new ATOM 459 N GLY A 29 -10.886 7.274 -7.356 1.00 62.40 N ATOM 460 CA GLY A 29 -10.977 8.426 -8.233 1.00 51.11 C ATOM 461 C GLY A 29 -10.387 8.160 -9.604 1.00 3.04 C ATOM 462 O GLY A 29 -10.867 8.686 -10.608 1.00 30.20 O ATOM 0 H GLY A 29 -10.254 7.388 -6.563 1.00 62.40 H new ATOM 0 HA2 GLY A 29 -12.022 8.715 -8.341 1.00 51.11 H new ATOM 0 HA3 GLY A 29 -10.459 9.269 -7.775 1.00 51.11 H new ATOM 466 N LYS A 30 -9.340 7.342 -9.647 1.00 13.34 N ATOM 467 CA LYS A 30 -8.682 7.007 -10.904 1.00 30.24 C ATOM 468 C LYS A 30 -9.551 6.074 -11.741 1.00 32.11 C ATOM 469 O LYS A 30 -9.576 6.167 -12.969 1.00 1.41 O ATOM 470 CB LYS A 30 -7.325 6.352 -10.634 1.00 35.12 C ATOM 471 CG LYS A 30 -6.205 7.349 -10.394 1.00 54.40 C ATOM 472 CD LYS A 30 -5.662 7.902 -11.701 1.00 11.52 C ATOM 473 CE LYS A 30 -4.978 9.245 -11.496 1.00 5.20 C ATOM 474 NZ LYS A 30 -3.506 9.155 -11.704 1.00 62.12 N ATOM 0 H LYS A 30 -8.929 6.899 -8.825 1.00 13.34 H new ATOM 0 HA LYS A 30 -8.528 7.930 -11.463 1.00 30.24 H new ATOM 0 HB2 LYS A 30 -7.412 5.700 -9.765 1.00 35.12 H new ATOM 0 HB3 LYS A 30 -7.061 5.719 -11.482 1.00 35.12 H new ATOM 0 HG2 LYS A 30 -6.572 8.168 -9.776 1.00 54.40 H new ATOM 0 HG3 LYS A 30 -5.400 6.867 -9.839 1.00 54.40 H new ATOM 0 HD2 LYS A 30 -4.954 7.194 -12.131 1.00 11.52 H new ATOM 0 HD3 LYS A 30 -6.476 8.013 -12.417 1.00 11.52 H new ATOM 0 HE2 LYS A 30 -5.398 9.976 -12.187 1.00 5.20 H new ATOM 0 HE3 LYS A 30 -5.181 9.606 -10.488 1.00 5.20 H new ATOM 0 HZ1 LYS A 30 -3.077 10.090 -11.555 1.00 62.12 H new ATOM 0 HZ2 LYS A 30 -3.101 8.476 -11.028 1.00 62.12 H new ATOM 0 HZ3 LYS A 30 -3.311 8.835 -12.674 1.00 62.12 H new ATOM 488 N LEU A 31 -10.264 5.176 -11.070 1.00 21.11 N ATOM 489 CA LEU A 31 -11.136 4.227 -11.752 1.00 73.44 C ATOM 490 C LEU A 31 -12.338 4.936 -12.367 1.00 54.41 C ATOM 491 O LEU A 31 -12.722 4.656 -13.502 1.00 54.20 O ATOM 492 CB LEU A 31 -11.611 3.148 -10.777 1.00 64.43 C ATOM 493 CG LEU A 31 -12.018 1.812 -11.400 1.00 50.04 C ATOM 494 CD1 LEU A 31 -11.963 0.701 -10.364 1.00 32.41 C ATOM 495 CD2 LEU A 31 -13.410 1.909 -12.008 1.00 0.33 C ATOM 0 H LEU A 31 -10.255 5.085 -10.054 1.00 21.11 H new ATOM 0 HA LEU A 31 -10.564 3.758 -12.553 1.00 73.44 H new ATOM 0 HB2 LEU A 31 -10.815 2.962 -10.056 1.00 64.43 H new ATOM 0 HB3 LEU A 31 -12.461 3.540 -10.219 1.00 64.43 H new ATOM 0 HG LEU A 31 -11.312 1.574 -12.195 1.00 50.04 H new ATOM 0 HD11 LEU A 31 -12.256 -0.242 -10.826 1.00 32.41 H new ATOM 0 HD12 LEU A 31 -10.948 0.615 -9.976 1.00 32.41 H new ATOM 0 HD13 LEU A 31 -12.646 0.932 -9.546 1.00 32.41 H new ATOM 0 HD21 LEU A 31 -13.683 0.949 -12.447 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -14.129 2.171 -11.231 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -13.416 2.677 -12.782 1.00 0.33 H new ATOM 507 N GLU A 32 -12.926 5.858 -11.610 1.00 70.21 N ATOM 508 CA GLU A 32 -14.084 6.609 -12.082 1.00 65.51 C ATOM 509 C GLU A 32 -13.696 7.546 -13.222 1.00 0.21 C ATOM 510 O GLU A 32 -14.442 7.706 -14.188 1.00 4.55 O ATOM 511 CB GLU A 32 -14.701 7.411 -10.935 1.00 35.41 C ATOM 512 CG GLU A 32 -13.735 8.387 -10.285 1.00 32.40 C ATOM 513 CD GLU A 32 -14.356 9.135 -9.122 1.00 13.04 C ATOM 514 OE1 GLU A 32 -15.377 8.655 -8.586 1.00 14.32 O ATOM 515 OE2 GLU A 32 -13.822 10.200 -8.747 1.00 71.23 O ATOM 0 H GLU A 32 -12.620 6.102 -10.668 1.00 70.21 H new ATOM 0 HA GLU A 32 -14.820 5.897 -12.455 1.00 65.51 H new ATOM 0 HB2 GLU A 32 -15.563 7.962 -11.311 1.00 35.41 H new ATOM 0 HB3 GLU A 32 -15.070 6.720 -10.177 1.00 35.41 H new ATOM 0 HG2 GLU A 32 -12.856 7.845 -9.936 1.00 32.40 H new ATOM 0 HG3 GLU A 32 -13.391 9.104 -11.031 1.00 32.40 H new ATOM 522 N GLU A 33 -12.525 8.163 -13.101 1.00 3.25 N ATOM 523 CA GLU A 33 -12.039 9.086 -14.120 1.00 0.02 C ATOM 524 C GLU A 33 -11.709 8.345 -15.412 1.00 61.41 C ATOM 525 O GLU A 33 -11.907 8.868 -16.508 1.00 70.05 O ATOM 526 CB GLU A 33 -10.801 9.832 -13.616 1.00 73.42 C ATOM 527 CG GLU A 33 -10.611 11.197 -14.255 1.00 72.24 C ATOM 528 CD GLU A 33 -10.333 12.285 -13.236 1.00 71.42 C ATOM 529 OE1 GLU A 33 -9.574 12.021 -12.280 1.00 71.31 O ATOM 530 OE2 GLU A 33 -10.874 13.399 -13.394 1.00 72.21 O ATOM 0 H GLU A 33 -11.895 8.041 -12.308 1.00 3.25 H new ATOM 0 HA GLU A 33 -12.829 9.807 -14.327 1.00 0.02 H new ATOM 0 HB2 GLU A 33 -10.875 9.953 -12.535 1.00 73.42 H new ATOM 0 HB3 GLU A 33 -9.917 9.224 -13.809 1.00 73.42 H new ATOM 0 HG2 GLU A 33 -9.785 11.150 -14.965 1.00 72.24 H new ATOM 0 HG3 GLU A 33 -11.505 11.456 -14.823 1.00 72.24 H new ATOM 537 N SER A 34 -11.204 7.123 -15.274 1.00 63.00 N ATOM 538 CA SER A 34 -10.842 6.310 -16.429 1.00 45.55 C ATOM 539 C SER A 34 -12.073 5.976 -17.266 1.00 20.34 C ATOM 540 O SER A 34 -12.048 6.073 -18.492 1.00 31.10 O ATOM 541 CB SER A 34 -10.152 5.022 -15.977 1.00 73.44 C ATOM 542 OG SER A 34 -11.093 4.093 -15.466 1.00 65.34 O ATOM 0 H SER A 34 -11.036 6.674 -14.373 1.00 63.00 H new ATOM 0 HA SER A 34 -10.151 6.886 -17.045 1.00 45.55 H new ATOM 0 HB2 SER A 34 -9.617 4.578 -16.816 1.00 73.44 H new ATOM 0 HB3 SER A 34 -9.410 5.252 -15.212 1.00 73.44 H new ATOM 0 HG SER A 34 -11.461 4.431 -14.623 1.00 65.34 H new ATOM 548 N GLU A 35 -13.149 5.581 -16.592 1.00 22.03 N ATOM 549 CA GLU A 35 -14.390 5.231 -17.272 1.00 61.24 C ATOM 550 C GLU A 35 -15.232 6.475 -17.543 1.00 65.41 C ATOM 551 O GLU A 35 -16.268 6.405 -18.202 1.00 61.33 O ATOM 552 CB GLU A 35 -15.192 4.231 -16.436 1.00 44.12 C ATOM 553 CG GLU A 35 -14.729 2.793 -16.598 1.00 25.02 C ATOM 554 CD GLU A 35 -15.361 2.107 -17.793 1.00 52.21 C ATOM 555 OE1 GLU A 35 -16.607 2.095 -17.881 1.00 3.55 O ATOM 556 OE2 GLU A 35 -14.610 1.582 -18.641 1.00 42.24 O ATOM 0 H GLU A 35 -13.186 5.496 -15.576 1.00 22.03 H new ATOM 0 HA GLU A 35 -14.134 4.772 -18.227 1.00 61.24 H new ATOM 0 HB2 GLU A 35 -15.122 4.510 -15.385 1.00 44.12 H new ATOM 0 HB3 GLU A 35 -16.244 4.299 -16.714 1.00 44.12 H new ATOM 0 HG2 GLU A 35 -13.644 2.775 -16.705 1.00 25.02 H new ATOM 0 HG3 GLU A 35 -14.970 2.234 -15.694 1.00 25.02 H new ATOM 563 N GLY A 36 -14.777 7.613 -17.028 1.00 13.21 N ATOM 564 CA GLY A 36 -15.500 8.856 -17.224 1.00 10.33 C ATOM 565 C GLY A 36 -16.490 9.133 -16.110 1.00 1.14 C ATOM 566 O GLY A 36 -16.573 10.255 -15.608 1.00 65.15 O ATOM 0 H GLY A 36 -13.921 7.696 -16.479 1.00 13.21 H new ATOM 0 HA2 GLY A 36 -14.789 9.680 -17.287 1.00 10.33 H new ATOM 0 HA3 GLY A 36 -16.030 8.818 -18.176 1.00 10.33 H new ATOM 570 N ILE A 37 -17.244 8.110 -15.722 1.00 64.22 N ATOM 571 CA ILE A 37 -18.233 8.249 -14.661 1.00 1.01 C ATOM 572 C ILE A 37 -18.232 7.030 -13.745 1.00 5.14 C ATOM 573 O ILE A 37 -17.846 5.928 -14.136 1.00 43.54 O ATOM 574 CB ILE A 37 -19.649 8.445 -15.234 1.00 11.14 C ATOM 575 CG1 ILE A 37 -19.926 7.415 -16.330 1.00 75.13 C ATOM 576 CG2 ILE A 37 -19.811 9.858 -15.773 1.00 51.24 C ATOM 577 CD1 ILE A 37 -21.364 6.945 -16.369 1.00 1.34 C ATOM 0 H ILE A 37 -17.189 7.175 -16.127 1.00 64.22 H new ATOM 0 HA ILE A 37 -17.957 9.133 -14.086 1.00 1.01 H new ATOM 0 HB ILE A 37 -20.373 8.298 -14.433 1.00 11.14 H new ATOM 0 HG12 ILE A 37 -19.667 7.847 -17.297 1.00 75.13 H new ATOM 0 HG13 ILE A 37 -19.275 6.554 -16.181 1.00 75.13 H new ATOM 0 HG21 ILE A 37 -20.817 9.981 -16.175 1.00 51.24 H new ATOM 0 HG22 ILE A 37 -19.651 10.575 -14.968 1.00 51.24 H new ATOM 0 HG23 ILE A 37 -19.081 10.032 -16.564 1.00 51.24 H new ATOM 0 HD11 ILE A 37 -21.487 6.216 -17.170 1.00 1.34 H new ATOM 0 HD12 ILE A 37 -21.622 6.483 -15.416 1.00 1.34 H new ATOM 0 HD13 ILE A 37 -22.020 7.796 -16.549 1.00 1.34 H new ATOM 589 N PRO A 38 -18.675 7.229 -12.494 1.00 40.15 N ATOM 590 CA PRO A 38 -18.737 6.157 -11.497 1.00 12.04 C ATOM 591 C PRO A 38 -19.814 5.127 -11.819 1.00 61.52 C ATOM 592 O PRO A 38 -20.905 5.474 -12.267 1.00 55.44 O ATOM 593 CB PRO A 38 -19.077 6.898 -10.201 1.00 32.21 C ATOM 594 CG PRO A 38 -19.775 8.137 -10.645 1.00 32.21 C ATOM 595 CD PRO A 38 -19.150 8.516 -11.959 1.00 74.21 C ATOM 0 HA PRO A 38 -17.807 5.590 -11.450 1.00 12.04 H new ATOM 0 HB2 PRO A 38 -19.715 6.294 -9.555 1.00 32.21 H new ATOM 0 HB3 PRO A 38 -18.178 7.133 -9.632 1.00 32.21 H new ATOM 0 HG2 PRO A 38 -20.845 7.963 -10.758 1.00 32.21 H new ATOM 0 HG3 PRO A 38 -19.657 8.935 -9.912 1.00 32.21 H new ATOM 0 HD2 PRO A 38 -19.872 8.987 -12.626 1.00 74.21 H new ATOM 0 HD3 PRO A 38 -18.331 9.223 -11.826 1.00 74.21 H new ATOM 603 N GLY A 39 -19.499 3.856 -11.588 1.00 22.43 N ATOM 604 CA GLY A 39 -20.450 2.794 -11.859 1.00 54.13 C ATOM 605 C GLY A 39 -21.800 3.047 -11.218 1.00 13.51 C ATOM 606 O GLY A 39 -22.839 2.879 -11.855 1.00 40.12 O ATOM 0 H GLY A 39 -18.602 3.543 -11.218 1.00 22.43 H new ATOM 0 HA2 GLY A 39 -20.577 2.690 -12.937 1.00 54.13 H new ATOM 0 HA3 GLY A 39 -20.049 1.849 -11.493 1.00 54.13 H new ATOM 610 N ASN A 40 -21.786 3.452 -9.952 1.00 4.00 N ATOM 611 CA ASN A 40 -23.019 3.727 -9.223 1.00 64.31 C ATOM 612 C ASN A 40 -22.724 4.075 -7.767 1.00 42.13 C ATOM 613 O ASN A 40 -22.877 5.223 -7.350 1.00 34.41 O ATOM 614 CB ASN A 40 -23.955 2.519 -9.291 1.00 34.15 C ATOM 615 CG ASN A 40 -25.274 2.847 -9.965 1.00 22.35 C ATOM 616 OD1 ASN A 40 -26.121 3.535 -9.395 1.00 23.23 O ATOM 617 ND2 ASN A 40 -25.453 2.353 -11.184 1.00 51.54 N ATOM 0 H ASN A 40 -20.934 3.597 -9.410 1.00 4.00 H new ATOM 0 HA ASN A 40 -23.506 4.583 -9.691 1.00 64.31 H new ATOM 0 HB2 ASN A 40 -23.463 1.712 -9.834 1.00 34.15 H new ATOM 0 HB3 ASN A 40 -24.147 2.154 -8.282 1.00 34.15 H new ATOM 0 HD21 ASN A 40 -26.321 2.539 -11.687 1.00 51.54 H new ATOM 0 HD22 ASN A 40 -24.723 1.788 -11.617 1.00 51.54 H new ATOM 624 N MET A 41 -22.299 3.077 -7.000 1.00 31.40 N ATOM 625 CA MET A 41 -21.981 3.278 -5.591 1.00 42.01 C ATOM 626 C MET A 41 -20.471 3.310 -5.374 1.00 13.40 C ATOM 627 O MET A 41 -19.963 4.125 -4.603 1.00 34.13 O ATOM 628 CB MET A 41 -22.606 2.170 -4.741 1.00 54.25 C ATOM 629 CG MET A 41 -24.077 2.399 -4.431 1.00 5.54 C ATOM 630 SD MET A 41 -24.609 1.556 -2.928 1.00 44.04 S ATOM 631 CE MET A 41 -25.778 2.743 -2.270 1.00 23.50 C ATOM 0 H MET A 41 -22.167 2.121 -7.330 1.00 31.40 H new ATOM 0 HA MET A 41 -22.396 4.238 -5.285 1.00 42.01 H new ATOM 0 HB2 MET A 41 -22.497 1.218 -5.261 1.00 54.25 H new ATOM 0 HB3 MET A 41 -22.054 2.087 -3.805 1.00 54.25 H new ATOM 0 HG2 MET A 41 -24.260 3.468 -4.328 1.00 5.54 H new ATOM 0 HG3 MET A 41 -24.680 2.052 -5.270 1.00 5.54 H new ATOM 0 HE1 MET A 41 -26.195 2.364 -1.337 1.00 23.50 H new ATOM 0 HE2 MET A 41 -25.270 3.689 -2.083 1.00 23.50 H new ATOM 0 HE3 MET A 41 -26.582 2.899 -2.990 1.00 23.50 H new ATOM 641 N ILE A 42 -19.760 2.420 -6.058 1.00 15.30 N ATOM 642 CA ILE A 42 -18.309 2.349 -5.940 1.00 34.44 C ATOM 643 C ILE A 42 -17.880 2.271 -4.478 1.00 72.54 C ATOM 644 O ILE A 42 -17.102 3.099 -4.004 1.00 74.33 O ATOM 645 CB ILE A 42 -17.630 3.564 -6.598 1.00 71.33 C ATOM 646 CG1 ILE A 42 -18.242 3.834 -7.974 1.00 54.12 C ATOM 647 CG2 ILE A 42 -16.131 3.333 -6.716 1.00 1.33 C ATOM 648 CD1 ILE A 42 -18.135 2.662 -8.924 1.00 72.22 C ATOM 0 H ILE A 42 -20.165 1.738 -6.699 1.00 15.30 H new ATOM 0 HA ILE A 42 -17.994 1.443 -6.458 1.00 34.44 H new ATOM 0 HB ILE A 42 -17.795 4.439 -5.969 1.00 71.33 H new ATOM 0 HG12 ILE A 42 -19.293 4.096 -7.850 1.00 54.12 H new ATOM 0 HG13 ILE A 42 -17.748 4.698 -8.419 1.00 54.12 H new ATOM 0 HG21 ILE A 42 -15.665 4.201 -7.183 1.00 1.33 H new ATOM 0 HG22 ILE A 42 -15.707 3.184 -5.723 1.00 1.33 H new ATOM 0 HG23 ILE A 42 -15.946 2.449 -7.326 1.00 1.33 H new ATOM 0 HD11 ILE A 42 -18.589 2.925 -9.879 1.00 72.22 H new ATOM 0 HD12 ILE A 42 -17.085 2.413 -9.078 1.00 72.22 H new ATOM 0 HD13 ILE A 42 -18.653 1.802 -8.500 1.00 72.22 H new ATOM 660 N ARG A 43 -18.391 1.269 -3.770 1.00 71.21 N ATOM 661 CA ARG A 43 -18.060 1.082 -2.363 1.00 32.24 C ATOM 662 C ARG A 43 -17.407 -0.278 -2.134 1.00 5.12 C ATOM 663 O ARG A 43 -18.004 -1.320 -2.406 1.00 53.12 O ATOM 664 CB ARG A 43 -19.318 1.207 -1.500 1.00 64.32 C ATOM 665 CG ARG A 43 -19.058 1.809 -0.129 1.00 13.10 C ATOM 666 CD ARG A 43 -18.940 3.323 -0.199 1.00 43.52 C ATOM 667 NE ARG A 43 -19.825 3.987 0.754 1.00 31.43 N ATOM 668 CZ ARG A 43 -19.829 5.298 0.964 1.00 1.31 C ATOM 669 NH1 ARG A 43 -18.999 6.083 0.291 1.00 51.12 N ATOM 670 NH2 ARG A 43 -20.665 5.828 1.849 1.00 64.54 N ATOM 0 H ARG A 43 -19.036 0.575 -4.148 1.00 71.21 H new ATOM 0 HA ARG A 43 -17.352 1.859 -2.076 1.00 32.24 H new ATOM 0 HB2 ARG A 43 -20.049 1.822 -2.025 1.00 64.32 H new ATOM 0 HB3 ARG A 43 -19.763 0.220 -1.376 1.00 64.32 H new ATOM 0 HG2 ARG A 43 -19.867 1.537 0.548 1.00 13.10 H new ATOM 0 HG3 ARG A 43 -18.141 1.390 0.286 1.00 13.10 H new ATOM 0 HD2 ARG A 43 -17.909 3.616 -0.000 1.00 43.52 H new ATOM 0 HD3 ARG A 43 -19.178 3.659 -1.208 1.00 43.52 H new ATOM 0 HE ARG A 43 -20.476 3.412 1.288 1.00 31.43 H new ATOM 0 HH11 ARG A 43 -18.355 5.680 -0.390 1.00 51.12 H new ATOM 0 HH12 ARG A 43 -19.004 7.090 0.454 1.00 51.12 H new ATOM 0 HH21 ARG A 43 -21.305 5.228 2.369 1.00 64.54 H new ATOM 0 HH22 ARG A 43 -20.667 6.835 2.009 1.00 64.54 H new ATOM 684 N LEU A 44 -16.176 -0.260 -1.633 1.00 35.15 N ATOM 685 CA LEU A 44 -15.441 -1.491 -1.367 1.00 64.52 C ATOM 686 C LEU A 44 -15.390 -1.784 0.129 1.00 4.20 C ATOM 687 O LEU A 44 -15.517 -0.879 0.954 1.00 51.32 O ATOM 688 CB LEU A 44 -14.021 -1.391 -1.927 1.00 63.14 C ATOM 689 CG LEU A 44 -13.194 -0.196 -1.451 1.00 72.03 C ATOM 690 CD1 LEU A 44 -11.828 -0.652 -0.964 1.00 22.32 C ATOM 691 CD2 LEU A 44 -13.050 0.830 -2.565 1.00 43.44 C ATOM 0 H LEU A 44 -15.667 0.593 -1.403 1.00 35.15 H new ATOM 0 HA LEU A 44 -15.964 -2.310 -1.861 1.00 64.52 H new ATOM 0 HB2 LEU A 44 -13.485 -2.304 -1.669 1.00 63.14 H new ATOM 0 HB3 LEU A 44 -14.083 -1.354 -3.015 1.00 63.14 H new ATOM 0 HG LEU A 44 -13.716 0.273 -0.617 1.00 72.03 H new ATOM 0 HD11 LEU A 44 -11.254 0.212 -0.629 1.00 22.32 H new ATOM 0 HD12 LEU A 44 -11.951 -1.349 -0.135 1.00 22.32 H new ATOM 0 HD13 LEU A 44 -11.298 -1.147 -1.778 1.00 22.32 H new ATOM 0 HD21 LEU A 44 -12.459 1.673 -2.209 1.00 43.44 H new ATOM 0 HD22 LEU A 44 -12.551 0.372 -3.419 1.00 43.44 H new ATOM 0 HD23 LEU A 44 -14.037 1.181 -2.867 1.00 43.44 H new ATOM 703 N VAL A 45 -15.200 -3.054 0.473 1.00 52.14 N ATOM 704 CA VAL A 45 -15.129 -3.465 1.869 1.00 23.54 C ATOM 705 C VAL A 45 -13.729 -3.953 2.228 1.00 53.32 C ATOM 706 O VAL A 45 -13.215 -4.895 1.625 1.00 35.41 O ATOM 707 CB VAL A 45 -16.144 -4.582 2.178 1.00 2.02 C ATOM 708 CG1 VAL A 45 -16.144 -4.908 3.664 1.00 41.10 C ATOM 709 CG2 VAL A 45 -17.535 -4.180 1.712 1.00 31.41 C ATOM 0 H VAL A 45 -15.093 -3.816 -0.197 1.00 52.14 H new ATOM 0 HA VAL A 45 -15.371 -2.588 2.469 1.00 23.54 H new ATOM 0 HB VAL A 45 -15.848 -5.479 1.634 1.00 2.02 H new ATOM 0 HG11 VAL A 45 -16.867 -5.699 3.863 1.00 41.10 H new ATOM 0 HG12 VAL A 45 -15.150 -5.241 3.963 1.00 41.10 H new ATOM 0 HG13 VAL A 45 -16.415 -4.018 4.232 1.00 41.10 H new ATOM 0 HG21 VAL A 45 -18.240 -4.980 1.938 1.00 31.41 H new ATOM 0 HG22 VAL A 45 -17.842 -3.270 2.227 1.00 31.41 H new ATOM 0 HG23 VAL A 45 -17.521 -4.002 0.637 1.00 31.41 H new ATOM 719 N TYR A 46 -13.118 -3.305 3.213 1.00 43.41 N ATOM 720 CA TYR A 46 -11.776 -3.670 3.651 1.00 20.41 C ATOM 721 C TYR A 46 -11.826 -4.465 4.953 1.00 44.52 C ATOM 722 O TYR A 46 -12.243 -3.950 5.990 1.00 70.20 O ATOM 723 CB TYR A 46 -10.918 -2.418 3.837 1.00 13.43 C ATOM 724 CG TYR A 46 -9.463 -2.622 3.483 1.00 63.22 C ATOM 725 CD1 TYR A 46 -9.095 -3.139 2.247 1.00 64.52 C ATOM 726 CD2 TYR A 46 -8.456 -2.299 4.384 1.00 63.31 C ATOM 727 CE1 TYR A 46 -7.766 -3.329 1.919 1.00 50.23 C ATOM 728 CE2 TYR A 46 -7.125 -2.484 4.064 1.00 44.22 C ATOM 729 CZ TYR A 46 -6.785 -2.999 2.830 1.00 1.02 C ATOM 730 OH TYR A 46 -5.460 -3.186 2.508 1.00 11.32 O ATOM 0 H TYR A 46 -13.531 -2.524 3.723 1.00 43.41 H new ATOM 0 HA TYR A 46 -11.328 -4.297 2.880 1.00 20.41 H new ATOM 0 HB2 TYR A 46 -11.324 -1.615 3.221 1.00 13.43 H new ATOM 0 HB3 TYR A 46 -10.988 -2.091 4.874 1.00 13.43 H new ATOM 0 HD1 TYR A 46 -9.861 -3.397 1.530 1.00 64.52 H new ATOM 0 HD2 TYR A 46 -8.718 -1.896 5.351 1.00 63.31 H new ATOM 0 HE1 TYR A 46 -7.497 -3.734 0.954 1.00 50.23 H new ATOM 0 HE2 TYR A 46 -6.355 -2.227 4.776 1.00 44.22 H new ATOM 0 HH TYR A 46 -5.027 -2.315 2.386 1.00 11.32 H new ATOM 740 N GLN A 47 -11.396 -5.721 4.889 1.00 43.52 N ATOM 741 CA GLN A 47 -11.391 -6.586 6.062 1.00 62.51 C ATOM 742 C GLN A 47 -12.781 -6.669 6.683 1.00 31.13 C ATOM 743 O GLN A 47 -12.923 -6.766 7.901 1.00 2.15 O ATOM 744 CB GLN A 47 -10.387 -6.074 7.096 1.00 63.21 C ATOM 745 CG GLN A 47 -9.527 -7.170 7.705 1.00 74.53 C ATOM 746 CD GLN A 47 -8.263 -7.430 6.910 1.00 42.20 C ATOM 747 OE1 GLN A 47 -7.309 -6.653 6.968 1.00 52.13 O ATOM 748 NE2 GLN A 47 -8.248 -8.527 6.162 1.00 41.22 N ATOM 0 H GLN A 47 -11.047 -6.162 4.038 1.00 43.52 H new ATOM 0 HA GLN A 47 -11.095 -7.586 5.743 1.00 62.51 H new ATOM 0 HB2 GLN A 47 -9.739 -5.335 6.625 1.00 63.21 H new ATOM 0 HB3 GLN A 47 -10.928 -5.563 7.893 1.00 63.21 H new ATOM 0 HG2 GLN A 47 -9.260 -6.892 8.725 1.00 74.53 H new ATOM 0 HG3 GLN A 47 -10.108 -8.090 7.767 1.00 74.53 H new ATOM 0 HE21 GLN A 47 -9.061 -9.143 6.144 1.00 41.22 H new ATOM 0 HE22 GLN A 47 -7.424 -8.754 5.606 1.00 41.22 H new ATOM 757 N GLY A 48 -13.806 -6.630 5.837 1.00 42.12 N ATOM 758 CA GLY A 48 -15.172 -6.701 6.322 1.00 42.13 C ATOM 759 C GLY A 48 -15.681 -5.363 6.819 1.00 3.52 C ATOM 760 O GLY A 48 -16.792 -5.267 7.341 1.00 3.11 O ATOM 0 H GLY A 48 -13.715 -6.550 4.824 1.00 42.12 H new ATOM 0 HA2 GLY A 48 -15.820 -7.058 5.522 1.00 42.13 H new ATOM 0 HA3 GLY A 48 -15.230 -7.431 7.129 1.00 42.13 H new ATOM 764 N LYS A 49 -14.866 -4.325 6.660 1.00 60.14 N ATOM 765 CA LYS A 49 -15.238 -2.985 7.096 1.00 14.25 C ATOM 766 C LYS A 49 -15.558 -2.092 5.902 1.00 73.34 C ATOM 767 O LYS A 49 -15.194 -2.404 4.768 1.00 34.42 O ATOM 768 CB LYS A 49 -14.110 -2.364 7.923 1.00 51.40 C ATOM 769 CG LYS A 49 -14.498 -2.076 9.363 1.00 33.20 C ATOM 770 CD LYS A 49 -13.629 -2.850 10.340 1.00 60.11 C ATOM 771 CE LYS A 49 -13.822 -4.351 10.190 1.00 73.33 C ATOM 772 NZ LYS A 49 -14.258 -4.985 11.465 1.00 53.31 N ATOM 0 H LYS A 49 -13.942 -4.387 6.232 1.00 60.14 H new ATOM 0 HA LYS A 49 -16.132 -3.067 7.715 1.00 14.25 H new ATOM 0 HB2 LYS A 49 -13.252 -3.036 7.914 1.00 51.40 H new ATOM 0 HB3 LYS A 49 -13.792 -1.436 7.449 1.00 51.40 H new ATOM 0 HG2 LYS A 49 -14.405 -1.008 9.559 1.00 33.20 H new ATOM 0 HG3 LYS A 49 -15.544 -2.339 9.518 1.00 33.20 H new ATOM 0 HD2 LYS A 49 -12.581 -2.599 10.175 1.00 60.11 H new ATOM 0 HD3 LYS A 49 -13.871 -2.551 11.360 1.00 60.11 H new ATOM 0 HE2 LYS A 49 -14.564 -4.546 9.415 1.00 73.33 H new ATOM 0 HE3 LYS A 49 -12.888 -4.806 9.859 1.00 73.33 H new ATOM 0 HZ1 LYS A 49 -14.378 -6.008 11.321 1.00 53.31 H new ATOM 0 HZ2 LYS A 49 -13.539 -4.821 12.198 1.00 53.31 H new ATOM 0 HZ3 LYS A 49 -15.162 -4.569 11.768 1.00 53.31 H new ATOM 786 N GLN A 50 -16.239 -0.981 6.164 1.00 72.40 N ATOM 787 CA GLN A 50 -16.607 -0.044 5.109 1.00 25.12 C ATOM 788 C GLN A 50 -15.950 1.314 5.335 1.00 62.24 C ATOM 789 O GLN A 50 -15.500 1.622 6.439 1.00 14.22 O ATOM 790 CB GLN A 50 -18.127 0.115 5.046 1.00 4.42 C ATOM 791 CG GLN A 50 -18.879 -1.204 5.100 1.00 75.22 C ATOM 792 CD GLN A 50 -20.252 -1.120 4.461 1.00 44.51 C ATOM 793 OE1 GLN A 50 -20.700 -0.043 4.065 1.00 4.02 O ATOM 794 NE2 GLN A 50 -20.927 -2.258 4.356 1.00 15.23 N ATOM 0 H GLN A 50 -16.547 -0.708 7.097 1.00 72.40 H new ATOM 0 HA GLN A 50 -16.252 -0.446 4.160 1.00 25.12 H new ATOM 0 HB2 GLN A 50 -18.453 0.744 5.875 1.00 4.42 H new ATOM 0 HB3 GLN A 50 -18.392 0.637 4.127 1.00 4.42 H new ATOM 0 HG2 GLN A 50 -18.294 -1.972 4.595 1.00 75.22 H new ATOM 0 HG3 GLN A 50 -18.985 -1.515 6.139 1.00 75.22 H new ATOM 0 HE21 GLN A 50 -20.517 -3.127 4.698 1.00 15.23 H new ATOM 0 HE22 GLN A 50 -21.855 -2.263 3.934 1.00 15.23 H new ATOM 803 N LEU A 51 -15.897 2.122 4.282 1.00 60.24 N ATOM 804 CA LEU A 51 -15.295 3.448 4.364 1.00 25.11 C ATOM 805 C LEU A 51 -13.810 3.352 4.702 1.00 72.51 C ATOM 806 O LEU A 51 -13.440 3.095 5.847 1.00 14.22 O ATOM 807 CB LEU A 51 -16.015 4.292 5.417 1.00 50.33 C ATOM 808 CG LEU A 51 -17.542 4.212 5.412 1.00 60.25 C ATOM 809 CD1 LEU A 51 -18.121 4.984 6.587 1.00 72.50 C ATOM 810 CD2 LEU A 51 -18.099 4.740 4.098 1.00 74.13 C ATOM 0 H LEU A 51 -16.264 1.882 3.361 1.00 60.24 H new ATOM 0 HA LEU A 51 -15.397 3.927 3.390 1.00 25.11 H new ATOM 0 HB2 LEU A 51 -15.659 3.990 6.402 1.00 50.33 H new ATOM 0 HB3 LEU A 51 -15.725 5.334 5.279 1.00 50.33 H new ATOM 0 HG LEU A 51 -17.832 3.166 5.513 1.00 60.25 H new ATOM 0 HD11 LEU A 51 -19.209 4.916 6.567 1.00 72.50 H new ATOM 0 HD12 LEU A 51 -17.748 4.561 7.520 1.00 72.50 H new ATOM 0 HD13 LEU A 51 -17.822 6.030 6.518 1.00 72.50 H new ATOM 0 HD21 LEU A 51 -19.187 4.676 4.112 1.00 74.13 H new ATOM 0 HD22 LEU A 51 -17.799 5.780 3.967 1.00 74.13 H new ATOM 0 HD23 LEU A 51 -17.711 4.144 3.272 1.00 74.13 H new ATOM 822 N GLU A 52 -12.965 3.561 3.697 1.00 31.13 N ATOM 823 CA GLU A 52 -11.521 3.499 3.889 1.00 21.34 C ATOM 824 C GLU A 52 -10.855 4.794 3.433 1.00 32.21 C ATOM 825 O GLU A 52 -9.642 4.958 3.559 1.00 44.30 O ATOM 826 CB GLU A 52 -10.933 2.312 3.123 1.00 43.44 C ATOM 827 CG GLU A 52 -11.704 1.018 3.319 1.00 1.01 C ATOM 828 CD GLU A 52 -11.584 0.476 4.730 1.00 20.11 C ATOM 829 OE1 GLU A 52 -10.522 0.678 5.356 1.00 74.23 O ATOM 830 OE2 GLU A 52 -12.553 -0.150 5.209 1.00 61.23 O ATOM 0 H GLU A 52 -13.255 3.774 2.743 1.00 31.13 H new ATOM 0 HA GLU A 52 -11.327 3.367 4.953 1.00 21.34 H new ATOM 0 HB2 GLU A 52 -10.908 2.553 2.060 1.00 43.44 H new ATOM 0 HB3 GLU A 52 -9.901 2.162 3.440 1.00 43.44 H new ATOM 0 HG2 GLU A 52 -12.755 1.187 3.087 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -11.338 0.271 2.614 1.00 1.01 H new ATOM 837 N ASP A 53 -11.658 5.709 2.902 1.00 0.53 N ATOM 838 CA ASP A 53 -11.148 6.990 2.427 1.00 10.53 C ATOM 839 C ASP A 53 -10.354 7.698 3.520 1.00 4.35 C ATOM 840 O ASP A 53 -9.309 8.291 3.256 1.00 45.34 O ATOM 841 CB ASP A 53 -12.301 7.881 1.960 1.00 65.45 C ATOM 842 CG ASP A 53 -11.991 8.591 0.656 1.00 33.04 C ATOM 843 OD1 ASP A 53 -11.099 9.465 0.654 1.00 51.11 O ATOM 844 OD2 ASP A 53 -12.641 8.272 -0.361 1.00 42.22 O ATOM 0 H ASP A 53 -12.665 5.588 2.790 1.00 0.53 H new ATOM 0 HA ASP A 53 -10.483 6.798 1.585 1.00 10.53 H new ATOM 0 HB2 ASP A 53 -13.198 7.274 1.836 1.00 65.45 H new ATOM 0 HB3 ASP A 53 -12.520 8.621 2.730 1.00 65.45 H new ATOM 849 N GLU A 54 -10.858 7.632 4.749 1.00 61.03 N ATOM 850 CA GLU A 54 -10.195 8.269 5.881 1.00 35.41 C ATOM 851 C GLU A 54 -8.876 7.572 6.202 1.00 73.33 C ATOM 852 O GLU A 54 -7.991 8.152 6.830 1.00 45.23 O ATOM 853 CB GLU A 54 -11.107 8.250 7.110 1.00 22.41 C ATOM 854 CG GLU A 54 -11.343 9.624 7.714 1.00 73.14 C ATOM 855 CD GLU A 54 -10.651 9.801 9.051 1.00 63.21 C ATOM 856 OE1 GLU A 54 -10.974 9.046 9.992 1.00 62.04 O ATOM 857 OE2 GLU A 54 -9.785 10.695 9.156 1.00 23.31 O ATOM 0 H GLU A 54 -11.722 7.144 4.986 1.00 61.03 H new ATOM 0 HA GLU A 54 -9.983 9.303 5.610 1.00 35.41 H new ATOM 0 HB2 GLU A 54 -12.067 7.814 6.833 1.00 22.41 H new ATOM 0 HB3 GLU A 54 -10.669 7.600 7.867 1.00 22.41 H new ATOM 0 HG2 GLU A 54 -10.987 10.387 7.021 1.00 73.14 H new ATOM 0 HG3 GLU A 54 -12.414 9.782 7.840 1.00 73.14 H new ATOM 864 N LYS A 55 -8.753 6.322 5.766 1.00 1.44 N ATOM 865 CA LYS A 55 -7.543 5.544 6.005 1.00 10.41 C ATOM 866 C LYS A 55 -6.618 5.591 4.793 1.00 11.21 C ATOM 867 O LYS A 55 -5.996 4.591 4.437 1.00 64.33 O ATOM 868 CB LYS A 55 -7.901 4.093 6.331 1.00 75.33 C ATOM 869 CG LYS A 55 -8.304 3.876 7.779 1.00 32.21 C ATOM 870 CD LYS A 55 -9.739 4.309 8.030 1.00 41.12 C ATOM 871 CE LYS A 55 -9.809 5.451 9.032 1.00 52.33 C ATOM 872 NZ LYS A 55 -9.561 4.984 10.424 1.00 51.22 N ATOM 0 H LYS A 55 -9.477 5.827 5.245 1.00 1.44 H new ATOM 0 HA LYS A 55 -7.021 5.982 6.856 1.00 10.41 H new ATOM 0 HB2 LYS A 55 -8.718 3.775 5.684 1.00 75.33 H new ATOM 0 HB3 LYS A 55 -7.047 3.456 6.101 1.00 75.33 H new ATOM 0 HG2 LYS A 55 -8.191 2.823 8.035 1.00 32.21 H new ATOM 0 HG3 LYS A 55 -7.635 4.436 8.432 1.00 32.21 H new ATOM 0 HD2 LYS A 55 -10.196 4.619 7.090 1.00 41.12 H new ATOM 0 HD3 LYS A 55 -10.316 3.462 8.401 1.00 41.12 H new ATOM 0 HE2 LYS A 55 -9.074 6.211 8.768 1.00 52.33 H new ATOM 0 HE3 LYS A 55 -10.790 5.923 8.977 1.00 52.33 H new ATOM 0 HZ1 LYS A 55 -9.617 5.792 11.076 1.00 51.22 H new ATOM 0 HZ2 LYS A 55 -10.277 4.277 10.686 1.00 51.22 H new ATOM 0 HZ3 LYS A 55 -8.615 4.557 10.483 1.00 51.22 H new ATOM 886 N ARG A 56 -6.532 6.759 4.165 1.00 50.22 N ATOM 887 CA ARG A 56 -5.683 6.936 2.993 1.00 24.41 C ATOM 888 C ARG A 56 -4.282 6.388 3.250 1.00 63.03 C ATOM 889 O ARG A 56 -3.950 5.279 2.828 1.00 11.13 O ATOM 890 CB ARG A 56 -5.602 8.415 2.614 1.00 43.43 C ATOM 891 CG ARG A 56 -5.693 9.355 3.805 1.00 51.44 C ATOM 892 CD ARG A 56 -7.072 9.987 3.911 1.00 33.13 C ATOM 893 NE ARG A 56 -7.004 11.383 4.335 1.00 22.23 N ATOM 894 CZ ARG A 56 -6.832 11.760 5.597 1.00 21.14 C ATOM 895 NH1 ARG A 56 -6.711 10.850 6.554 1.00 31.11 N ATOM 896 NH2 ARG A 56 -6.780 13.050 5.904 1.00 21.35 N ATOM 0 H ARG A 56 -7.040 7.597 4.448 1.00 50.22 H new ATOM 0 HA ARG A 56 -6.126 6.381 2.167 1.00 24.41 H new ATOM 0 HB2 ARG A 56 -4.664 8.596 2.090 1.00 43.43 H new ATOM 0 HB3 ARG A 56 -6.407 8.647 1.916 1.00 43.43 H new ATOM 0 HG2 ARG A 56 -5.471 8.807 4.721 1.00 51.44 H new ATOM 0 HG3 ARG A 56 -4.939 10.137 3.711 1.00 51.44 H new ATOM 0 HD2 ARG A 56 -7.574 9.926 2.945 1.00 33.13 H new ATOM 0 HD3 ARG A 56 -7.676 9.422 4.621 1.00 33.13 H new ATOM 0 HE ARG A 56 -7.093 12.108 3.623 1.00 22.23 H new ATOM 0 HH11 ARG A 56 -6.750 9.858 6.322 1.00 31.11 H new ATOM 0 HH12 ARG A 56 -6.579 11.143 7.522 1.00 31.11 H new ATOM 0 HH21 ARG A 56 -6.872 13.753 5.171 1.00 21.35 H new ATOM 0 HH22 ARG A 56 -6.648 13.339 6.873 1.00 21.35 H new ATOM 910 N LEU A 57 -3.463 7.172 3.943 1.00 54.24 N ATOM 911 CA LEU A 57 -2.097 6.767 4.255 1.00 35.44 C ATOM 912 C LEU A 57 -2.087 5.516 5.129 1.00 13.41 C ATOM 913 O LEU A 57 -1.209 4.663 5.001 1.00 72.03 O ATOM 914 CB LEU A 57 -1.356 7.903 4.962 1.00 34.24 C ATOM 915 CG LEU A 57 0.169 7.870 4.868 1.00 44.01 C ATOM 916 CD1 LEU A 57 0.752 9.244 5.160 1.00 51.11 C ATOM 917 CD2 LEU A 57 0.741 6.832 5.823 1.00 12.53 C ATOM 0 H LEU A 57 -3.722 8.092 4.300 1.00 54.24 H new ATOM 0 HA LEU A 57 -1.589 6.538 3.318 1.00 35.44 H new ATOM 0 HB2 LEU A 57 -1.705 8.850 4.550 1.00 34.24 H new ATOM 0 HB3 LEU A 57 -1.635 7.892 6.016 1.00 34.24 H new ATOM 0 HG LEU A 57 0.444 7.590 3.851 1.00 44.01 H new ATOM 0 HD11 LEU A 57 1.839 9.201 5.088 1.00 51.11 H new ATOM 0 HD12 LEU A 57 0.369 9.963 4.436 1.00 51.11 H new ATOM 0 HD13 LEU A 57 0.467 9.554 6.165 1.00 51.11 H new ATOM 0 HD21 LEU A 57 1.828 6.823 5.742 1.00 12.53 H new ATOM 0 HD22 LEU A 57 0.455 7.081 6.845 1.00 12.53 H new ATOM 0 HD23 LEU A 57 0.350 5.847 5.567 1.00 12.53 H new ATOM 929 N LYS A 58 -3.071 5.413 6.017 1.00 45.22 N ATOM 930 CA LYS A 58 -3.178 4.266 6.910 1.00 31.12 C ATOM 931 C LYS A 58 -3.275 2.966 6.118 1.00 44.35 C ATOM 932 O LYS A 58 -2.894 1.901 6.604 1.00 10.55 O ATOM 933 CB LYS A 58 -4.401 4.414 7.819 1.00 61.35 C ATOM 934 CG LYS A 58 -4.054 4.513 9.294 1.00 51.21 C ATOM 935 CD LYS A 58 -4.623 3.344 10.081 1.00 52.44 C ATOM 936 CE LYS A 58 -4.317 3.470 11.565 1.00 22.31 C ATOM 937 NZ LYS A 58 -5.377 2.846 12.405 1.00 43.12 N ATOM 0 H LYS A 58 -3.806 6.111 6.137 1.00 45.22 H new ATOM 0 HA LYS A 58 -2.278 4.230 7.524 1.00 31.12 H new ATOM 0 HB2 LYS A 58 -4.956 5.304 7.525 1.00 61.35 H new ATOM 0 HB3 LYS A 58 -5.062 3.561 7.666 1.00 61.35 H new ATOM 0 HG2 LYS A 58 -2.971 4.540 9.413 1.00 51.21 H new ATOM 0 HG3 LYS A 58 -4.442 5.448 9.698 1.00 51.21 H new ATOM 0 HD2 LYS A 58 -5.702 3.296 9.934 1.00 52.44 H new ATOM 0 HD3 LYS A 58 -4.207 2.411 9.701 1.00 52.44 H new ATOM 0 HE2 LYS A 58 -3.359 2.997 11.780 1.00 22.31 H new ATOM 0 HE3 LYS A 58 -4.219 4.523 11.827 1.00 22.31 H new ATOM 0 HZ1 LYS A 58 -5.131 2.953 13.410 1.00 43.12 H new ATOM 0 HZ2 LYS A 58 -6.287 3.314 12.219 1.00 43.12 H new ATOM 0 HZ3 LYS A 58 -5.454 1.835 12.173 1.00 43.12 H new ATOM 951 N ASP A 59 -3.784 3.061 4.894 1.00 12.25 N ATOM 952 CA ASP A 59 -3.928 1.893 4.033 1.00 11.13 C ATOM 953 C ASP A 59 -2.615 1.575 3.325 1.00 1.10 C ATOM 954 O ASP A 59 -2.436 0.481 2.789 1.00 51.32 O ATOM 955 CB ASP A 59 -5.034 2.126 3.003 1.00 33.40 C ATOM 956 CG ASP A 59 -6.371 1.569 3.453 1.00 2.10 C ATOM 957 OD1 ASP A 59 -6.639 1.585 4.672 1.00 33.23 O ATOM 958 OD2 ASP A 59 -7.148 1.117 2.586 1.00 50.20 O ATOM 0 H ASP A 59 -4.104 3.935 4.476 1.00 12.25 H new ATOM 0 HA ASP A 59 -4.198 1.042 4.658 1.00 11.13 H new ATOM 0 HB2 ASP A 59 -5.133 3.195 2.816 1.00 33.40 H new ATOM 0 HB3 ASP A 59 -4.750 1.663 2.058 1.00 33.40 H new ATOM 963 N TYR A 60 -1.700 2.538 3.326 1.00 10.11 N ATOM 964 CA TYR A 60 -0.404 2.362 2.681 1.00 55.23 C ATOM 965 C TYR A 60 0.503 1.464 3.516 1.00 72.22 C ATOM 966 O TYR A 60 1.469 0.896 3.008 1.00 41.04 O ATOM 967 CB TYR A 60 0.267 3.719 2.459 1.00 73.32 C ATOM 968 CG TYR A 60 1.617 3.623 1.786 1.00 4.22 C ATOM 969 CD1 TYR A 60 1.758 3.001 0.551 1.00 11.35 C ATOM 970 CD2 TYR A 60 2.753 4.154 2.385 1.00 21.43 C ATOM 971 CE1 TYR A 60 2.990 2.911 -0.067 1.00 21.03 C ATOM 972 CE2 TYR A 60 3.989 4.069 1.774 1.00 50.21 C ATOM 973 CZ TYR A 60 4.102 3.447 0.548 1.00 24.22 C ATOM 974 OH TYR A 60 5.332 3.359 -0.063 1.00 50.45 O ATOM 0 H TYR A 60 -1.832 3.449 3.766 1.00 10.11 H new ATOM 0 HA TYR A 60 -0.569 1.883 1.716 1.00 55.23 H new ATOM 0 HB2 TYR A 60 -0.388 4.344 1.853 1.00 73.32 H new ATOM 0 HB3 TYR A 60 0.384 4.219 3.421 1.00 73.32 H new ATOM 0 HD1 TYR A 60 0.889 2.581 0.066 1.00 11.35 H new ATOM 0 HD2 TYR A 60 2.668 4.642 3.345 1.00 21.43 H new ATOM 0 HE1 TYR A 60 3.082 2.424 -1.026 1.00 21.03 H new ATOM 0 HE2 TYR A 60 4.862 4.487 2.253 1.00 50.21 H new ATOM 0 HH TYR A 60 6.009 3.787 0.502 1.00 50.45 H new ATOM 984 N GLN A 61 0.183 1.341 4.800 1.00 73.41 N ATOM 985 CA GLN A 61 0.968 0.512 5.706 1.00 24.43 C ATOM 986 C GLN A 61 0.612 -0.962 5.543 1.00 71.31 C ATOM 987 O GLN A 61 1.200 -1.828 6.189 1.00 25.35 O ATOM 988 CB GLN A 61 0.741 0.946 7.155 1.00 13.02 C ATOM 989 CG GLN A 61 1.937 0.699 8.060 1.00 44.15 C ATOM 990 CD GLN A 61 1.625 0.947 9.522 1.00 34.41 C ATOM 991 OE1 GLN A 61 0.735 0.316 10.094 1.00 70.10 O ATOM 992 NE2 GLN A 61 2.356 1.869 10.136 1.00 23.24 N ATOM 0 H GLN A 61 -0.614 1.805 5.236 1.00 73.41 H new ATOM 0 HA GLN A 61 2.021 0.642 5.456 1.00 24.43 H new ATOM 0 HB2 GLN A 61 0.496 2.008 7.173 1.00 13.02 H new ATOM 0 HB3 GLN A 61 -0.122 0.413 7.554 1.00 13.02 H new ATOM 0 HG2 GLN A 61 2.276 -0.329 7.934 1.00 44.15 H new ATOM 0 HG3 GLN A 61 2.759 1.346 7.753 1.00 44.15 H new ATOM 0 HE21 GLN A 61 3.083 2.368 9.623 1.00 23.24 H new ATOM 0 HE22 GLN A 61 2.191 2.079 11.120 1.00 23.24 H new ATOM 1001 N MET A 62 -0.356 -1.239 4.675 1.00 65.31 N ATOM 1002 CA MET A 62 -0.790 -2.609 4.426 1.00 25.24 C ATOM 1003 C MET A 62 0.094 -3.278 3.378 1.00 41.30 C ATOM 1004 O MET A 62 0.853 -4.196 3.687 1.00 64.02 O ATOM 1005 CB MET A 62 -2.249 -2.629 3.968 1.00 30.31 C ATOM 1006 CG MET A 62 -3.156 -1.727 4.789 1.00 32.20 C ATOM 1007 SD MET A 62 -3.224 -2.206 6.526 1.00 11.11 S ATOM 1008 CE MET A 62 -4.619 -1.235 7.091 1.00 74.04 C ATOM 0 H MET A 62 -0.854 -0.533 4.133 1.00 65.31 H new ATOM 0 HA MET A 62 -0.702 -3.167 5.358 1.00 25.24 H new ATOM 0 HB2 MET A 62 -2.297 -2.324 2.923 1.00 30.31 H new ATOM 0 HB3 MET A 62 -2.624 -3.651 4.020 1.00 30.31 H new ATOM 0 HG2 MET A 62 -2.804 -0.698 4.713 1.00 32.20 H new ATOM 0 HG3 MET A 62 -4.162 -1.751 4.370 1.00 32.20 H new ATOM 0 HE1 MET A 62 -4.648 -1.239 8.181 1.00 74.04 H new ATOM 0 HE2 MET A 62 -4.517 -0.210 6.735 1.00 74.04 H new ATOM 0 HE3 MET A 62 -5.542 -1.664 6.702 1.00 74.04 H new ATOM 1018 N SER A 63 -0.011 -2.811 2.138 1.00 64.33 N ATOM 1019 CA SER A 63 0.776 -3.367 1.043 1.00 22.21 C ATOM 1020 C SER A 63 0.547 -4.870 0.918 1.00 71.31 C ATOM 1021 O SER A 63 1.399 -5.599 0.411 1.00 23.24 O ATOM 1022 CB SER A 63 2.264 -3.083 1.261 1.00 73.15 C ATOM 1023 OG SER A 63 2.470 -1.750 1.695 1.00 62.04 O ATOM 0 H SER A 63 -0.633 -2.049 1.866 1.00 64.33 H new ATOM 0 HA SER A 63 0.454 -2.890 0.118 1.00 22.21 H new ATOM 0 HB2 SER A 63 2.665 -3.776 2.001 1.00 73.15 H new ATOM 0 HB3 SER A 63 2.810 -3.255 0.334 1.00 73.15 H new ATOM 0 HG SER A 63 3.428 -1.594 1.829 1.00 62.04 H new ATOM 1029 N ALA A 64 -0.611 -5.327 1.384 1.00 51.43 N ATOM 1030 CA ALA A 64 -0.955 -6.742 1.323 1.00 43.23 C ATOM 1031 C ALA A 64 -2.351 -6.992 1.882 1.00 31.30 C ATOM 1032 O ALA A 64 -2.563 -7.926 2.655 1.00 45.21 O ATOM 1033 CB ALA A 64 0.075 -7.568 2.079 1.00 10.11 C ATOM 0 H ALA A 64 -1.327 -4.737 1.808 1.00 51.43 H new ATOM 0 HA ALA A 64 -0.952 -7.047 0.277 1.00 43.23 H new ATOM 0 HB1 ALA A 64 -0.194 -8.623 2.025 1.00 10.11 H new ATOM 0 HB2 ALA A 64 1.058 -7.421 1.632 1.00 10.11 H new ATOM 0 HB3 ALA A 64 0.100 -7.252 3.122 1.00 10.11 H new ATOM 1039 N GLY A 65 -3.302 -6.151 1.486 1.00 21.24 N ATOM 1040 CA GLY A 65 -4.666 -6.298 1.959 1.00 31.32 C ATOM 1041 C GLY A 65 -5.658 -6.468 0.825 1.00 4.31 C ATOM 1042 O GLY A 65 -5.770 -5.604 -0.044 1.00 40.21 O ATOM 0 H GLY A 65 -3.152 -5.371 0.846 1.00 21.24 H new ATOM 0 HA2 GLY A 65 -4.726 -7.161 2.623 1.00 31.32 H new ATOM 0 HA3 GLY A 65 -4.939 -5.423 2.548 1.00 31.32 H new ATOM 1046 N ALA A 66 -6.377 -7.585 0.832 1.00 15.25 N ATOM 1047 CA ALA A 66 -7.364 -7.864 -0.203 1.00 75.31 C ATOM 1048 C ALA A 66 -8.473 -6.817 -0.202 1.00 33.54 C ATOM 1049 O ALA A 66 -8.985 -6.441 0.853 1.00 33.03 O ATOM 1050 CB ALA A 66 -7.949 -9.256 -0.013 1.00 15.13 C ATOM 0 H ALA A 66 -6.294 -8.312 1.543 1.00 15.25 H new ATOM 0 HA ALA A 66 -6.862 -7.822 -1.170 1.00 75.31 H new ATOM 0 HB1 ALA A 66 -8.685 -9.451 -0.793 1.00 15.13 H new ATOM 0 HB2 ALA A 66 -7.152 -9.997 -0.073 1.00 15.13 H new ATOM 0 HB3 ALA A 66 -8.430 -9.318 0.963 1.00 15.13 H new ATOM 1056 N THR A 67 -8.840 -6.349 -1.390 1.00 75.14 N ATOM 1057 CA THR A 67 -9.887 -5.344 -1.526 1.00 32.20 C ATOM 1058 C THR A 67 -11.005 -5.834 -2.440 1.00 4.01 C ATOM 1059 O THR A 67 -10.750 -6.470 -3.463 1.00 23.55 O ATOM 1060 CB THR A 67 -9.327 -4.021 -2.082 1.00 73.31 C ATOM 1061 OG1 THR A 67 -7.935 -4.166 -2.382 1.00 63.41 O ATOM 1062 CG2 THR A 67 -9.521 -2.890 -1.084 1.00 51.31 C ATOM 0 H THR A 67 -8.427 -6.650 -2.273 1.00 75.14 H new ATOM 0 HA THR A 67 -10.288 -5.169 -0.528 1.00 32.20 H new ATOM 0 HB THR A 67 -9.871 -3.776 -2.994 1.00 73.31 H new ATOM 0 HG1 THR A 67 -7.805 -4.945 -2.963 1.00 63.41 H new ATOM 0 HG21 THR A 67 -9.118 -1.966 -1.498 1.00 51.31 H new ATOM 0 HG22 THR A 67 -10.584 -2.763 -0.880 1.00 51.31 H new ATOM 0 HG23 THR A 67 -9.000 -3.129 -0.157 1.00 51.31 H new ATOM 1070 N PHE A 68 -12.244 -5.533 -2.066 1.00 4.14 N ATOM 1071 CA PHE A 68 -13.401 -5.943 -2.852 1.00 60.22 C ATOM 1072 C PHE A 68 -14.336 -4.763 -3.100 1.00 71.21 C ATOM 1073 O PHE A 68 -14.946 -4.233 -2.170 1.00 65.43 O ATOM 1074 CB PHE A 68 -14.157 -7.066 -2.139 1.00 63.41 C ATOM 1075 CG PHE A 68 -15.522 -7.326 -2.709 1.00 21.20 C ATOM 1076 CD1 PHE A 68 -15.667 -7.839 -3.988 1.00 32.22 C ATOM 1077 CD2 PHE A 68 -16.660 -7.057 -1.966 1.00 0.21 C ATOM 1078 CE1 PHE A 68 -16.922 -8.080 -4.515 1.00 50.11 C ATOM 1079 CE2 PHE A 68 -17.917 -7.296 -2.488 1.00 12.23 C ATOM 1080 CZ PHE A 68 -18.048 -7.807 -3.764 1.00 55.33 C ATOM 0 H PHE A 68 -12.472 -5.006 -1.223 1.00 4.14 H new ATOM 0 HA PHE A 68 -13.043 -6.309 -3.814 1.00 60.22 H new ATOM 0 HB2 PHE A 68 -13.568 -7.982 -2.195 1.00 63.41 H new ATOM 0 HB3 PHE A 68 -14.255 -6.814 -1.083 1.00 63.41 H new ATOM 0 HD1 PHE A 68 -14.789 -8.053 -4.580 1.00 32.22 H new ATOM 0 HD2 PHE A 68 -16.564 -6.656 -0.968 1.00 0.21 H new ATOM 0 HE1 PHE A 68 -17.022 -8.481 -5.513 1.00 50.11 H new ATOM 0 HE2 PHE A 68 -18.796 -7.083 -1.898 1.00 12.23 H new ATOM 0 HZ PHE A 68 -19.030 -7.993 -4.174 1.00 55.33 H new ATOM 1090 N HIS A 69 -14.444 -4.356 -4.361 1.00 30.01 N ATOM 1091 CA HIS A 69 -15.305 -3.238 -4.732 1.00 64.53 C ATOM 1092 C HIS A 69 -16.702 -3.728 -5.100 1.00 51.13 C ATOM 1093 O HIS A 69 -16.861 -4.802 -5.679 1.00 33.20 O ATOM 1094 CB HIS A 69 -14.697 -2.467 -5.904 1.00 41.21 C ATOM 1095 CG HIS A 69 -13.471 -1.689 -5.537 1.00 41.33 C ATOM 1096 ND1 HIS A 69 -12.481 -2.186 -4.716 1.00 34.31 N ATOM 1097 CD2 HIS A 69 -13.076 -0.442 -5.886 1.00 53.15 C ATOM 1098 CE1 HIS A 69 -11.532 -1.279 -4.574 1.00 51.42 C ATOM 1099 NE2 HIS A 69 -11.869 -0.211 -5.275 1.00 3.30 N ATOM 0 H HIS A 69 -13.947 -4.783 -5.142 1.00 30.01 H new ATOM 0 HA HIS A 69 -15.387 -2.573 -3.872 1.00 64.53 H new ATOM 0 HB2 HIS A 69 -14.447 -3.169 -6.700 1.00 41.21 H new ATOM 0 HB3 HIS A 69 -15.445 -1.783 -6.305 1.00 41.21 H new ATOM 0 HD2 HIS A 69 -13.611 0.244 -6.526 1.00 53.15 H new ATOM 0 HE1 HIS A 69 -10.634 -1.391 -3.985 1.00 51.42 H new ATOM 0 HE2 HIS A 69 -11.321 0.646 -5.350 1.00 3.30 H new ATOM 1107 N MET A 70 -17.711 -2.933 -4.760 1.00 10.22 N ATOM 1108 CA MET A 70 -19.095 -3.286 -5.055 1.00 41.40 C ATOM 1109 C MET A 70 -19.804 -2.146 -5.780 1.00 2.24 C ATOM 1110 O MET A 70 -19.742 -0.993 -5.353 1.00 54.53 O ATOM 1111 CB MET A 70 -19.843 -3.629 -3.765 1.00 45.31 C ATOM 1112 CG MET A 70 -21.305 -3.981 -3.986 1.00 24.54 C ATOM 1113 SD MET A 70 -21.729 -5.613 -3.346 1.00 74.03 S ATOM 1114 CE MET A 70 -21.947 -5.249 -1.606 1.00 41.22 C ATOM 0 H MET A 70 -17.596 -2.040 -4.280 1.00 10.22 H new ATOM 0 HA MET A 70 -19.090 -4.160 -5.706 1.00 41.40 H new ATOM 0 HB2 MET A 70 -19.345 -4.468 -3.278 1.00 45.31 H new ATOM 0 HB3 MET A 70 -19.781 -2.782 -3.082 1.00 45.31 H new ATOM 0 HG2 MET A 70 -21.932 -3.231 -3.504 1.00 24.54 H new ATOM 0 HG3 MET A 70 -21.527 -3.944 -5.053 1.00 24.54 H new ATOM 0 HE1 MET A 70 -22.213 -6.162 -1.074 1.00 41.22 H new ATOM 0 HE2 MET A 70 -21.018 -4.849 -1.199 1.00 41.22 H new ATOM 0 HE3 MET A 70 -22.742 -4.514 -1.485 1.00 41.22 H new ATOM 1124 N VAL A 71 -20.476 -2.476 -6.878 1.00 34.04 N ATOM 1125 CA VAL A 71 -21.198 -1.480 -7.661 1.00 4.01 C ATOM 1126 C VAL A 71 -22.660 -1.874 -7.838 1.00 42.42 C ATOM 1127 O VAL A 71 -22.974 -2.841 -8.532 1.00 41.54 O ATOM 1128 CB VAL A 71 -20.558 -1.286 -9.049 1.00 23.25 C ATOM 1129 CG1 VAL A 71 -20.395 -2.624 -9.753 1.00 72.43 C ATOM 1130 CG2 VAL A 71 -21.389 -0.329 -9.889 1.00 71.12 C ATOM 0 H VAL A 71 -20.536 -3.426 -7.246 1.00 34.04 H new ATOM 0 HA VAL A 71 -21.142 -0.542 -7.109 1.00 4.01 H new ATOM 0 HB VAL A 71 -19.568 -0.850 -8.916 1.00 23.25 H new ATOM 0 HG11 VAL A 71 -19.942 -2.467 -10.732 1.00 72.43 H new ATOM 0 HG12 VAL A 71 -19.755 -3.274 -9.156 1.00 72.43 H new ATOM 0 HG13 VAL A 71 -21.372 -3.092 -9.876 1.00 72.43 H new ATOM 0 HG21 VAL A 71 -20.922 -0.203 -10.866 1.00 71.12 H new ATOM 0 HG22 VAL A 71 -22.393 -0.734 -10.016 1.00 71.12 H new ATOM 0 HG23 VAL A 71 -21.448 0.637 -9.388 1.00 71.12 H new ATOM 1140 N VAL A 72 -23.551 -1.117 -7.206 1.00 34.22 N ATOM 1141 CA VAL A 72 -24.982 -1.386 -7.295 1.00 2.44 C ATOM 1142 C VAL A 72 -25.619 -0.596 -8.432 1.00 75.23 C ATOM 1143 O VAL A 72 -25.837 0.610 -8.319 1.00 64.21 O ATOM 1144 CB VAL A 72 -25.701 -1.038 -5.977 1.00 62.44 C ATOM 1145 CG1 VAL A 72 -26.979 -1.850 -5.837 1.00 34.21 C ATOM 1146 CG2 VAL A 72 -24.779 -1.271 -4.790 1.00 64.02 C ATOM 0 H VAL A 72 -23.308 -0.313 -6.627 1.00 34.22 H new ATOM 0 HA VAL A 72 -25.093 -2.453 -7.490 1.00 2.44 H new ATOM 0 HB VAL A 72 -25.970 0.018 -5.997 1.00 62.44 H new ATOM 0 HG11 VAL A 72 -27.474 -1.591 -4.901 1.00 34.21 H new ATOM 0 HG12 VAL A 72 -27.644 -1.629 -6.672 1.00 34.21 H new ATOM 0 HG13 VAL A 72 -26.737 -2.913 -5.838 1.00 34.21 H new ATOM 0 HG21 VAL A 72 -25.303 -1.020 -3.868 1.00 64.02 H new ATOM 0 HG22 VAL A 72 -24.478 -2.318 -4.763 1.00 64.02 H new ATOM 0 HG23 VAL A 72 -23.894 -0.642 -4.887 1.00 64.02 H new ATOM 1156 N ALA A 73 -25.918 -1.285 -9.529 1.00 21.43 N ATOM 1157 CA ALA A 73 -26.533 -0.649 -10.687 1.00 34.41 C ATOM 1158 C ALA A 73 -27.818 -1.366 -11.089 1.00 21.32 C ATOM 1159 O ALA A 73 -28.176 -1.406 -12.267 1.00 15.04 O ATOM 1160 CB ALA A 73 -25.557 -0.619 -11.853 1.00 42.42 C ATOM 0 H ALA A 73 -25.744 -2.284 -9.639 1.00 21.43 H new ATOM 0 HA ALA A 73 -26.789 0.375 -10.415 1.00 34.41 H new ATOM 0 HB1 ALA A 73 -26.030 -0.141 -12.711 1.00 42.42 H new ATOM 0 HB2 ALA A 73 -24.668 -0.056 -11.569 1.00 42.42 H new ATOM 0 HB3 ALA A 73 -25.273 -1.638 -12.116 1.00 42.42 H new ATOM 1166 N LEU A 74 -28.507 -1.932 -10.104 1.00 62.31 N ATOM 1167 CA LEU A 74 -29.752 -2.649 -10.355 1.00 73.13 C ATOM 1168 C LEU A 74 -29.500 -3.906 -11.181 1.00 60.33 C ATOM 1169 O LEU A 74 -30.402 -4.416 -11.846 1.00 53.53 O ATOM 1170 CB LEU A 74 -30.749 -1.742 -11.078 1.00 51.53 C ATOM 1171 CG LEU A 74 -32.174 -1.733 -10.523 1.00 42.32 C ATOM 1172 CD1 LEU A 74 -32.803 -3.112 -10.647 1.00 13.43 C ATOM 1173 CD2 LEU A 74 -32.178 -1.270 -9.073 1.00 74.24 C ATOM 0 H LEU A 74 -28.224 -1.908 -9.124 1.00 62.31 H new ATOM 0 HA LEU A 74 -30.171 -2.946 -9.394 1.00 73.13 H new ATOM 0 HB2 LEU A 74 -30.365 -0.722 -11.054 1.00 51.53 H new ATOM 0 HB3 LEU A 74 -30.790 -2.043 -12.125 1.00 51.53 H new ATOM 0 HG LEU A 74 -32.768 -1.032 -11.109 1.00 42.32 H new ATOM 0 HD11 LEU A 74 -33.817 -3.087 -10.247 1.00 13.43 H new ATOM 0 HD12 LEU A 74 -32.834 -3.405 -11.697 1.00 13.43 H new ATOM 0 HD13 LEU A 74 -32.210 -3.834 -10.086 1.00 13.43 H new ATOM 0 HD21 LEU A 74 -33.200 -1.270 -8.694 1.00 74.24 H new ATOM 0 HD22 LEU A 74 -31.569 -1.946 -8.473 1.00 74.24 H new ATOM 0 HD23 LEU A 74 -31.768 -0.262 -9.012 1.00 74.24 H new ATOM 1185 N ARG A 75 -28.268 -4.403 -11.132 1.00 52.25 N ATOM 1186 CA ARG A 75 -27.898 -5.601 -11.875 1.00 65.24 C ATOM 1187 C ARG A 75 -28.559 -6.839 -11.276 1.00 54.33 C ATOM 1188 O ARG A 75 -29.358 -6.738 -10.345 1.00 62.53 O ATOM 1189 CB ARG A 75 -26.378 -5.774 -11.880 1.00 64.50 C ATOM 1190 CG ARG A 75 -25.665 -4.875 -12.877 1.00 71.41 C ATOM 1191 CD ARG A 75 -26.083 -5.187 -14.306 1.00 22.03 C ATOM 1192 NE ARG A 75 -25.088 -4.739 -15.277 1.00 20.52 N ATOM 1193 CZ ARG A 75 -24.923 -3.469 -15.627 1.00 50.15 C ATOM 1194 NH1 ARG A 75 -25.683 -2.525 -15.089 1.00 62.11 N ATOM 1195 NH2 ARG A 75 -23.996 -3.140 -16.518 1.00 71.22 N ATOM 0 H ARG A 75 -27.510 -3.994 -10.586 1.00 52.25 H new ATOM 0 HA ARG A 75 -28.248 -5.484 -12.901 1.00 65.24 H new ATOM 0 HB2 ARG A 75 -25.994 -5.569 -10.880 1.00 64.50 H new ATOM 0 HB3 ARG A 75 -26.140 -6.813 -12.106 1.00 64.50 H new ATOM 0 HG2 ARG A 75 -25.887 -3.832 -12.651 1.00 71.41 H new ATOM 0 HG3 ARG A 75 -24.587 -5.001 -12.776 1.00 71.41 H new ATOM 0 HD2 ARG A 75 -26.236 -6.261 -14.413 1.00 22.03 H new ATOM 0 HD3 ARG A 75 -27.038 -4.706 -14.518 1.00 22.03 H new ATOM 0 HE ARG A 75 -24.487 -5.440 -15.710 1.00 20.52 H new ATOM 0 HH11 ARG A 75 -26.397 -2.774 -14.404 1.00 62.11 H new ATOM 0 HH12 ARG A 75 -25.554 -1.550 -15.360 1.00 62.11 H new ATOM 0 HH21 ARG A 75 -23.410 -3.863 -16.935 1.00 71.22 H new ATOM 0 HH22 ARG A 75 -23.870 -2.164 -16.786 1.00 71.22 H new ATOM 1209 N ALA A 76 -28.222 -8.005 -11.818 1.00 0.42 N ATOM 1210 CA ALA A 76 -28.782 -9.261 -11.336 1.00 70.21 C ATOM 1211 C ALA A 76 -28.023 -10.455 -11.906 1.00 50.30 C ATOM 1212 O ALA A 76 -27.007 -10.292 -12.580 1.00 23.10 O ATOM 1213 CB ALA A 76 -30.258 -9.352 -11.693 1.00 72.44 C ATOM 0 H ALA A 76 -27.564 -8.105 -12.591 1.00 0.42 H new ATOM 0 HA ALA A 76 -28.680 -9.283 -10.251 1.00 70.21 H new ATOM 0 HB1 ALA A 76 -30.663 -10.295 -11.327 1.00 72.44 H new ATOM 0 HB2 ALA A 76 -30.795 -8.523 -11.233 1.00 72.44 H new ATOM 0 HB3 ALA A 76 -30.374 -9.303 -12.776 1.00 72.44 H new ATOM 1219 N GLY A 77 -28.524 -11.655 -11.630 1.00 64.31 N ATOM 1220 CA GLY A 77 -27.879 -12.859 -12.122 1.00 51.35 C ATOM 1221 C GLY A 77 -26.909 -13.449 -11.119 1.00 3.13 C ATOM 1222 O GLY A 77 -25.874 -14.001 -11.496 1.00 12.32 O ATOM 0 H GLY A 77 -29.365 -11.815 -11.075 1.00 64.31 H new ATOM 0 HA2 GLY A 77 -28.639 -13.601 -12.367 1.00 51.35 H new ATOM 0 HA3 GLY A 77 -27.347 -12.631 -13.046 1.00 51.35 H new ATOM 1226 N CYS A 78 -27.241 -13.332 -9.838 1.00 2.31 N ATOM 1227 CA CYS A 78 -26.389 -13.856 -8.776 1.00 72.11 C ATOM 1228 C CYS A 78 -24.987 -13.263 -8.861 1.00 64.12 C ATOM 1229 O CYS A 78 -24.821 -12.069 -9.106 1.00 10.41 O ATOM 1230 CB CYS A 78 -26.317 -15.382 -8.858 1.00 51.53 C ATOM 1231 SG CYS A 78 -27.151 -16.234 -7.499 1.00 63.43 S ATOM 0 H CYS A 78 -28.094 -12.879 -9.510 1.00 2.31 H new ATOM 0 HA CYS A 78 -26.826 -13.571 -7.819 1.00 72.11 H new ATOM 0 HB2 CYS A 78 -26.758 -15.706 -9.801 1.00 51.53 H new ATOM 0 HB3 CYS A 78 -25.270 -15.685 -8.875 1.00 51.53 H new ATOM 0 HG CYS A 78 -27.037 -17.519 -7.658 1.00 63.43 H new TER 1237 CYS A 78