USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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 18 LYS NZ :NH3+ 140:sc= 0.00722 (180deg=0) USER MOD Set 1.2: A 21 GLN : amide:sc= 0.00905 X(o=0.016,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0429) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 150:sc= -0.845 (180deg=-2.61) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 110:sc= -1.51 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.28! C(o=-4.3!,f=-9.7!) USER MOD Single : A 32 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.55) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -112:sc= -0.208 (180deg=-1.48) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.219 1.191 -5.019 1.00 21.32 N ATOM 2 CA MET A 1 2.786 1.059 -4.782 1.00 22.41 C ATOM 3 C MET A 1 2.433 -0.367 -4.369 1.00 13.43 C ATOM 4 O MET A 1 1.650 -0.578 -3.442 1.00 73.14 O ATOM 5 CB MET A 1 2.002 1.448 -6.037 1.00 22.53 C ATOM 6 CG MET A 1 1.547 2.898 -6.044 1.00 21.23 C ATOM 7 SD MET A 1 1.966 3.750 -7.576 1.00 44.04 S ATOM 8 CE MET A 1 0.402 4.529 -7.970 1.00 21.33 C ATOM 0 H1 MET A 1 4.456 2.193 -5.165 1.00 21.32 H new ATOM 0 H2 MET A 1 4.742 0.828 -4.196 1.00 21.32 H new ATOM 0 H3 MET A 1 4.483 0.646 -5.865 1.00 21.32 H new ATOM 0 HA MET A 1 2.513 1.732 -3.969 1.00 22.41 H new ATOM 0 HB2 MET A 1 2.623 1.266 -6.914 1.00 22.53 H new ATOM 0 HB3 MET A 1 1.129 0.801 -6.125 1.00 22.53 H new ATOM 0 HG2 MET A 1 0.468 2.937 -5.895 1.00 21.23 H new ATOM 0 HG3 MET A 1 2.004 3.422 -5.205 1.00 21.23 H new ATOM 0 HE1 MET A 1 0.501 5.096 -8.896 1.00 21.33 H new ATOM 0 HE2 MET A 1 -0.365 3.764 -8.093 1.00 21.33 H new ATOM 0 HE3 MET A 1 0.117 5.202 -7.161 1.00 21.33 H new ATOM 18 N ASP A 2 3.014 -1.340 -5.061 1.00 50.11 N ATOM 19 CA ASP A 2 2.761 -2.745 -4.765 1.00 74.22 C ATOM 20 C ASP A 2 4.070 -3.518 -4.638 1.00 75.42 C ATOM 21 O ASP A 2 4.388 -4.047 -3.573 1.00 24.31 O ATOM 22 CB ASP A 2 1.889 -3.369 -5.856 1.00 61.13 C ATOM 23 CG ASP A 2 0.427 -2.996 -5.713 1.00 52.55 C ATOM 24 OD1 ASP A 2 -0.402 -3.542 -6.471 1.00 53.45 O ATOM 25 OD2 ASP A 2 0.111 -2.158 -4.843 1.00 42.42 O ATOM 0 H ASP A 2 3.664 -1.182 -5.831 1.00 50.11 H new ATOM 0 HA ASP A 2 2.233 -2.801 -3.813 1.00 74.22 H new ATOM 0 HB2 ASP A 2 2.249 -3.047 -6.833 1.00 61.13 H new ATOM 0 HB3 ASP A 2 1.989 -4.454 -5.821 1.00 61.13 H new ATOM 30 N ILE A 3 4.822 -3.580 -5.731 1.00 64.53 N ATOM 31 CA ILE A 3 6.096 -4.289 -5.742 1.00 2.04 C ATOM 32 C ILE A 3 7.225 -3.398 -5.235 1.00 1.22 C ATOM 33 O ILE A 3 7.086 -2.176 -5.174 1.00 74.00 O ATOM 34 CB ILE A 3 6.449 -4.792 -7.154 1.00 21.22 C ATOM 35 CG1 ILE A 3 5.179 -5.187 -7.910 1.00 41.44 C ATOM 36 CG2 ILE A 3 7.410 -5.968 -7.072 1.00 25.50 C ATOM 37 CD1 ILE A 3 4.677 -4.112 -8.849 1.00 71.34 C ATOM 0 H ILE A 3 4.572 -3.148 -6.621 1.00 64.53 H new ATOM 0 HA ILE A 3 5.986 -5.146 -5.077 1.00 2.04 H new ATOM 0 HB ILE A 3 6.938 -3.985 -7.700 1.00 21.22 H new ATOM 0 HG12 ILE A 3 5.373 -6.095 -8.481 1.00 41.44 H new ATOM 0 HG13 ILE A 3 4.396 -5.424 -7.190 1.00 41.44 H new ATOM 0 HG21 ILE A 3 7.650 -6.312 -8.078 1.00 25.50 H new ATOM 0 HG22 ILE A 3 8.324 -5.656 -6.567 1.00 25.50 H new ATOM 0 HG23 ILE A 3 6.945 -6.779 -6.512 1.00 25.50 H new ATOM 0 HD11 ILE A 3 3.774 -4.460 -9.351 1.00 71.34 H new ATOM 0 HD12 ILE A 3 4.451 -3.209 -8.281 1.00 71.34 H new ATOM 0 HD13 ILE A 3 5.443 -3.891 -9.592 1.00 71.34 H new ATOM 49 N ASP A 4 8.343 -4.017 -4.874 1.00 25.02 N ATOM 50 CA ASP A 4 9.499 -3.280 -4.375 1.00 13.01 C ATOM 51 C ASP A 4 10.728 -3.547 -5.238 1.00 53.43 C ATOM 52 O ASP A 4 11.773 -2.921 -5.059 1.00 53.44 O ATOM 53 CB ASP A 4 9.787 -3.664 -2.923 1.00 2.13 C ATOM 54 CG ASP A 4 8.685 -3.227 -1.978 1.00 52.53 C ATOM 55 OD1 ASP A 4 7.846 -4.076 -1.611 1.00 52.12 O ATOM 56 OD2 ASP A 4 8.662 -2.035 -1.606 1.00 34.15 O ATOM 0 H ASP A 4 8.474 -5.028 -4.917 1.00 25.02 H new ATOM 0 HA ASP A 4 9.268 -2.216 -4.423 1.00 13.01 H new ATOM 0 HB2 ASP A 4 9.913 -4.745 -2.854 1.00 2.13 H new ATOM 0 HB3 ASP A 4 10.729 -3.213 -2.611 1.00 2.13 H new ATOM 61 N PHE A 5 10.596 -4.481 -6.174 1.00 54.44 N ATOM 62 CA PHE A 5 11.696 -4.832 -7.065 1.00 11.15 C ATOM 63 C PHE A 5 11.704 -3.935 -8.299 1.00 63.21 C ATOM 64 O PHE A 5 12.710 -3.296 -8.609 1.00 32.15 O ATOM 65 CB PHE A 5 11.590 -6.299 -7.486 1.00 41.15 C ATOM 66 CG PHE A 5 12.782 -6.788 -8.259 1.00 12.12 C ATOM 67 CD1 PHE A 5 12.821 -6.681 -9.640 1.00 13.24 C ATOM 68 CD2 PHE A 5 13.863 -7.355 -7.604 1.00 20.41 C ATOM 69 CE1 PHE A 5 13.916 -7.130 -10.353 1.00 40.54 C ATOM 70 CE2 PHE A 5 14.961 -7.805 -8.312 1.00 61.42 C ATOM 71 CZ PHE A 5 14.987 -7.694 -9.689 1.00 2.53 C ATOM 0 H PHE A 5 9.738 -5.009 -6.335 1.00 54.44 H new ATOM 0 HA PHE A 5 12.631 -4.683 -6.525 1.00 11.15 H new ATOM 0 HB2 PHE A 5 11.466 -6.916 -6.596 1.00 41.15 H new ATOM 0 HB3 PHE A 5 10.694 -6.431 -8.093 1.00 41.15 H new ATOM 0 HD1 PHE A 5 11.986 -6.242 -10.165 1.00 13.24 H new ATOM 0 HD2 PHE A 5 13.847 -7.446 -6.528 1.00 20.41 H new ATOM 0 HE1 PHE A 5 13.934 -7.040 -11.429 1.00 40.54 H new ATOM 0 HE2 PHE A 5 15.798 -8.243 -7.789 1.00 61.42 H new ATOM 0 HZ PHE A 5 15.843 -8.048 -10.245 1.00 2.53 H new ATOM 81 N SER A 6 10.576 -3.894 -9.001 1.00 23.20 N ATOM 82 CA SER A 6 10.454 -3.080 -10.204 1.00 50.14 C ATOM 83 C SER A 6 9.950 -1.680 -9.865 1.00 23.44 C ATOM 84 O SER A 6 8.809 -1.505 -9.436 1.00 3.15 O ATOM 85 CB SER A 6 9.506 -3.747 -11.203 1.00 10.11 C ATOM 86 OG SER A 6 8.823 -4.837 -10.608 1.00 3.00 O ATOM 0 H SER A 6 9.734 -4.415 -8.757 1.00 23.20 H new ATOM 0 HA SER A 6 11.443 -2.992 -10.654 1.00 50.14 H new ATOM 0 HB2 SER A 6 8.784 -3.016 -11.567 1.00 10.11 H new ATOM 0 HB3 SER A 6 10.071 -4.096 -12.068 1.00 10.11 H new ATOM 0 HG SER A 6 8.222 -5.245 -11.266 1.00 3.00 H new ATOM 92 N THR A 7 10.810 -0.685 -10.060 1.00 30.24 N ATOM 93 CA THR A 7 10.455 0.699 -9.773 1.00 74.13 C ATOM 94 C THR A 7 11.388 1.666 -10.492 1.00 42.10 C ATOM 95 O THR A 7 11.544 2.816 -10.080 1.00 43.12 O ATOM 96 CB THR A 7 10.498 0.989 -8.261 1.00 64.12 C ATOM 97 OG1 THR A 7 11.346 0.040 -7.605 1.00 23.03 O ATOM 98 CG2 THR A 7 9.103 0.932 -7.659 1.00 32.35 C ATOM 0 H THR A 7 11.757 -0.812 -10.416 1.00 30.24 H new ATOM 0 HA THR A 7 9.437 0.845 -10.134 1.00 74.13 H new ATOM 0 HB THR A 7 10.897 1.993 -8.117 1.00 64.12 H new ATOM 0 HG1 THR A 7 11.370 0.232 -6.644 1.00 23.03 H new ATOM 0 HG21 THR A 7 9.159 1.140 -6.591 1.00 32.35 H new ATOM 0 HG22 THR A 7 8.468 1.676 -8.141 1.00 32.35 H new ATOM 0 HG23 THR A 7 8.680 -0.061 -7.814 1.00 32.35 H new ATOM 106 N CYS A 8 12.007 1.194 -11.569 1.00 21.21 N ATOM 107 CA CYS A 8 12.926 2.017 -12.346 1.00 72.21 C ATOM 108 C CYS A 8 12.690 1.830 -13.842 1.00 45.12 C ATOM 109 O CYS A 8 12.155 0.810 -14.274 1.00 71.12 O ATOM 110 CB CYS A 8 14.374 1.668 -11.999 1.00 64.30 C ATOM 111 SG CYS A 8 15.577 2.965 -12.434 1.00 54.41 S ATOM 0 H CYS A 8 11.889 0.245 -11.924 1.00 21.21 H new ATOM 0 HA CYS A 8 12.741 3.061 -12.094 1.00 72.21 H new ATOM 0 HB2 CYS A 8 14.442 1.468 -10.930 1.00 64.30 H new ATOM 0 HB3 CYS A 8 14.648 0.747 -12.513 1.00 64.30 H new ATOM 116 N ALA A 9 13.095 2.823 -14.628 1.00 1.05 N ATOM 117 CA ALA A 9 12.931 2.768 -16.075 1.00 32.32 C ATOM 118 C ALA A 9 13.814 1.686 -16.687 1.00 23.13 C ATOM 119 O ALA A 9 13.630 1.301 -17.842 1.00 25.15 O ATOM 120 CB ALA A 9 13.246 4.122 -16.694 1.00 35.42 C ATOM 0 H ALA A 9 13.539 3.675 -14.286 1.00 1.05 H new ATOM 0 HA ALA A 9 11.892 2.516 -16.289 1.00 32.32 H new ATOM 0 HB1 ALA A 9 13.119 4.066 -17.775 1.00 35.42 H new ATOM 0 HB2 ALA A 9 12.570 4.874 -16.288 1.00 35.42 H new ATOM 0 HB3 ALA A 9 14.275 4.397 -16.463 1.00 35.42 H new ATOM 126 N ARG A 10 14.774 1.200 -15.906 1.00 14.13 N ATOM 127 CA ARG A 10 15.687 0.164 -16.372 1.00 71.22 C ATOM 128 C ARG A 10 15.184 -1.222 -15.977 1.00 4.31 C ATOM 129 O ARG A 10 15.966 -2.164 -15.854 1.00 70.45 O ATOM 130 CB ARG A 10 17.087 0.393 -15.800 1.00 30.32 C ATOM 131 CG ARG A 10 17.559 1.834 -15.903 1.00 62.34 C ATOM 132 CD ARG A 10 17.725 2.263 -17.353 1.00 23.41 C ATOM 133 NE ARG A 10 19.089 2.699 -17.642 1.00 13.54 N ATOM 134 CZ ARG A 10 19.559 3.900 -17.322 1.00 51.01 C ATOM 135 NH1 ARG A 10 18.780 4.778 -16.706 1.00 52.42 N ATOM 136 NH2 ARG A 10 20.811 4.224 -17.618 1.00 62.31 N ATOM 0 H ARG A 10 14.939 1.508 -14.948 1.00 14.13 H new ATOM 0 HA ARG A 10 15.733 0.218 -17.460 1.00 71.22 H new ATOM 0 HB2 ARG A 10 17.096 0.091 -14.753 1.00 30.32 H new ATOM 0 HB3 ARG A 10 17.794 -0.250 -16.324 1.00 30.32 H new ATOM 0 HG2 ARG A 10 16.842 2.489 -15.408 1.00 62.34 H new ATOM 0 HG3 ARG A 10 18.508 1.946 -15.378 1.00 62.34 H new ATOM 0 HD2 ARG A 10 17.463 1.433 -18.009 1.00 23.41 H new ATOM 0 HD3 ARG A 10 17.031 3.074 -17.573 1.00 23.41 H new ATOM 0 HE ARG A 10 19.714 2.046 -18.115 1.00 13.54 H new ATOM 0 HH11 ARG A 10 17.817 4.532 -16.476 1.00 52.42 H new ATOM 0 HH12 ARG A 10 19.144 5.699 -16.462 1.00 52.42 H new ATOM 0 HH21 ARG A 10 21.414 3.551 -18.092 1.00 62.31 H new ATOM 0 HH22 ARG A 10 21.171 5.146 -17.372 1.00 62.31 H new ATOM 150 N MET A 11 13.875 -1.336 -15.778 1.00 64.44 N ATOM 151 CA MET A 11 13.269 -2.607 -15.398 1.00 10.23 C ATOM 152 C MET A 11 13.378 -3.622 -16.531 1.00 34.33 C ATOM 153 O MET A 11 14.192 -4.544 -16.475 1.00 45.51 O ATOM 154 CB MET A 11 11.801 -2.403 -15.019 1.00 53.54 C ATOM 155 CG MET A 11 11.600 -1.961 -13.579 1.00 2.52 C ATOM 156 SD MET A 11 10.006 -1.161 -13.313 1.00 60.11 S ATOM 157 CE MET A 11 8.904 -2.333 -14.101 1.00 41.21 C ATOM 0 H MET A 11 13.214 -0.565 -15.873 1.00 64.44 H new ATOM 0 HA MET A 11 13.809 -2.995 -14.534 1.00 10.23 H new ATOM 0 HB2 MET A 11 11.363 -1.658 -15.683 1.00 53.54 H new ATOM 0 HB3 MET A 11 11.259 -3.334 -15.183 1.00 53.54 H new ATOM 0 HG2 MET A 11 11.681 -2.827 -12.923 1.00 2.52 H new ATOM 0 HG3 MET A 11 12.398 -1.273 -13.299 1.00 2.52 H new ATOM 0 HE1 MET A 11 7.933 -2.308 -13.607 1.00 41.21 H new ATOM 0 HE2 MET A 11 8.783 -2.069 -15.152 1.00 41.21 H new ATOM 0 HE3 MET A 11 9.324 -3.336 -14.025 1.00 41.21 H new ATOM 167 N ASP A 12 12.552 -3.448 -17.556 1.00 73.05 N ATOM 168 CA ASP A 12 12.556 -4.349 -18.703 1.00 72.11 C ATOM 169 C ASP A 12 11.936 -3.677 -19.924 1.00 70.34 C ATOM 170 O ASP A 12 12.415 -3.842 -21.046 1.00 41.55 O ATOM 171 CB ASP A 12 11.796 -5.634 -18.372 1.00 35.24 C ATOM 172 CG ASP A 12 12.473 -6.869 -18.933 1.00 52.23 C ATOM 173 OD1 ASP A 12 12.681 -7.833 -18.166 1.00 54.45 O ATOM 174 OD2 ASP A 12 12.794 -6.872 -20.140 1.00 2.42 O ATOM 0 H ASP A 12 11.871 -2.691 -17.617 1.00 73.05 H new ATOM 0 HA ASP A 12 13.592 -4.598 -18.934 1.00 72.11 H new ATOM 0 HB2 ASP A 12 11.708 -5.732 -17.290 1.00 35.24 H new ATOM 0 HB3 ASP A 12 10.783 -5.566 -18.770 1.00 35.24 H new ATOM 179 N VAL A 13 10.867 -2.921 -19.698 1.00 53.44 N ATOM 180 CA VAL A 13 10.181 -2.224 -20.780 1.00 11.31 C ATOM 181 C VAL A 13 10.383 -0.716 -20.677 1.00 75.02 C ATOM 182 O VAL A 13 9.532 0.016 -20.171 1.00 10.02 O ATOM 183 CB VAL A 13 8.671 -2.530 -20.777 1.00 24.13 C ATOM 184 CG1 VAL A 13 8.409 -3.930 -21.310 1.00 64.31 C ATOM 185 CG2 VAL A 13 8.098 -2.368 -19.377 1.00 42.10 C ATOM 0 H VAL A 13 10.457 -2.775 -18.776 1.00 53.44 H new ATOM 0 HA VAL A 13 10.615 -2.583 -21.713 1.00 11.31 H new ATOM 0 HB VAL A 13 8.172 -1.818 -21.434 1.00 24.13 H new ATOM 0 HG11 VAL A 13 7.337 -4.128 -21.300 1.00 64.31 H new ATOM 0 HG12 VAL A 13 8.783 -4.007 -22.331 1.00 64.31 H new ATOM 0 HG13 VAL A 13 8.919 -4.660 -20.681 1.00 64.31 H new ATOM 0 HG21 VAL A 13 7.031 -2.588 -19.393 1.00 42.10 H new ATOM 0 HG22 VAL A 13 8.600 -3.056 -18.697 1.00 42.10 H new ATOM 0 HG23 VAL A 13 8.252 -1.344 -19.037 1.00 42.10 H new ATOM 195 N PRO A 14 11.535 -0.238 -21.169 1.00 63.44 N ATOM 196 CA PRO A 14 11.876 1.187 -21.146 1.00 12.23 C ATOM 197 C PRO A 14 11.015 2.005 -22.103 1.00 30.24 C ATOM 198 O PRO A 14 11.476 2.421 -23.166 1.00 4.24 O ATOM 199 CB PRO A 14 13.340 1.210 -21.592 1.00 30.44 C ATOM 200 CG PRO A 14 13.508 -0.029 -22.402 1.00 61.11 C ATOM 201 CD PRO A 14 12.595 -1.053 -21.787 1.00 73.33 C ATOM 0 HA PRO A 14 11.709 1.629 -20.164 1.00 12.23 H new ATOM 0 HB2 PRO A 14 13.561 2.101 -22.180 1.00 30.44 H new ATOM 0 HB3 PRO A 14 14.015 1.218 -20.736 1.00 30.44 H new ATOM 0 HG2 PRO A 14 13.248 0.149 -23.446 1.00 61.11 H new ATOM 0 HG3 PRO A 14 14.543 -0.369 -22.385 1.00 61.11 H new ATOM 0 HD2 PRO A 14 12.192 -1.734 -22.537 1.00 73.33 H new ATOM 0 HD3 PRO A 14 13.115 -1.663 -21.048 1.00 73.33 H new ATOM 209 N ILE A 15 9.763 2.231 -21.719 1.00 3.24 N ATOM 210 CA ILE A 15 8.839 3.001 -22.542 1.00 63.45 C ATOM 211 C ILE A 15 8.307 4.213 -21.786 1.00 33.32 C ATOM 212 O ILE A 15 8.033 5.257 -22.378 1.00 44.44 O ATOM 213 CB ILE A 15 7.652 2.139 -23.011 1.00 15.23 C ATOM 214 CG1 ILE A 15 7.095 1.321 -21.843 1.00 50.44 C ATOM 215 CG2 ILE A 15 8.077 1.225 -24.150 1.00 32.01 C ATOM 216 CD1 ILE A 15 5.584 1.259 -21.816 1.00 11.15 C ATOM 0 H ILE A 15 9.365 1.892 -20.843 1.00 3.24 H new ATOM 0 HA ILE A 15 9.399 3.339 -23.414 1.00 63.45 H new ATOM 0 HB ILE A 15 6.865 2.799 -23.376 1.00 15.23 H new ATOM 0 HG12 ILE A 15 7.491 0.307 -21.898 1.00 50.44 H new ATOM 0 HG13 ILE A 15 7.450 1.751 -20.907 1.00 50.44 H new ATOM 0 HG21 ILE A 15 7.227 0.623 -24.470 1.00 32.01 H new ATOM 0 HG22 ILE A 15 8.430 1.827 -24.987 1.00 32.01 H new ATOM 0 HG23 ILE A 15 8.879 0.569 -23.811 1.00 32.01 H new ATOM 0 HD11 ILE A 15 5.259 0.664 -20.963 1.00 11.15 H new ATOM 0 HD12 ILE A 15 5.180 2.268 -21.729 1.00 11.15 H new ATOM 0 HD13 ILE A 15 5.222 0.801 -22.737 1.00 11.15 H new ATOM 228 N LEU A 16 8.163 4.067 -20.473 1.00 50.42 N ATOM 229 CA LEU A 16 7.665 5.151 -19.633 1.00 52.25 C ATOM 230 C LEU A 16 8.647 5.464 -18.509 1.00 51.42 C ATOM 231 O LEU A 16 8.366 5.215 -17.337 1.00 34.12 O ATOM 232 CB LEU A 16 6.301 4.783 -19.047 1.00 30.31 C ATOM 233 CG LEU A 16 6.043 3.291 -18.835 1.00 34.42 C ATOM 234 CD1 LEU A 16 7.069 2.701 -17.880 1.00 44.41 C ATOM 235 CD2 LEU A 16 4.632 3.063 -18.311 1.00 22.21 C ATOM 0 H LEU A 16 8.384 3.209 -19.967 1.00 50.42 H new ATOM 0 HA LEU A 16 7.558 6.040 -20.255 1.00 52.25 H new ATOM 0 HB2 LEU A 16 6.191 5.290 -18.089 1.00 30.31 H new ATOM 0 HB3 LEU A 16 5.527 5.175 -19.706 1.00 30.31 H new ATOM 0 HG LEU A 16 6.139 2.786 -19.796 1.00 34.42 H new ATOM 0 HD11 LEU A 16 6.869 1.639 -17.742 1.00 44.41 H new ATOM 0 HD12 LEU A 16 8.069 2.831 -18.294 1.00 44.41 H new ATOM 0 HD13 LEU A 16 7.006 3.210 -16.918 1.00 44.41 H new ATOM 0 HD21 LEU A 16 4.466 1.996 -18.166 1.00 22.21 H new ATOM 0 HD22 LEU A 16 4.509 3.582 -17.360 1.00 22.21 H new ATOM 0 HD23 LEU A 16 3.910 3.448 -19.031 1.00 22.21 H new ATOM 247 N LYS A 17 9.800 6.015 -18.874 1.00 71.30 N ATOM 248 CA LYS A 17 10.824 6.366 -17.897 1.00 15.20 C ATOM 249 C LYS A 17 10.265 7.314 -16.841 1.00 13.14 C ATOM 250 O LYS A 17 10.589 7.203 -15.658 1.00 50.31 O ATOM 251 CB LYS A 17 12.023 7.013 -18.594 1.00 72.52 C ATOM 252 CG LYS A 17 12.489 6.257 -19.827 1.00 5.24 C ATOM 253 CD LYS A 17 13.958 5.880 -19.726 1.00 70.15 C ATOM 254 CE LYS A 17 14.400 5.039 -20.914 1.00 74.23 C ATOM 255 NZ LYS A 17 15.630 5.583 -21.552 1.00 63.13 N ATOM 0 H LYS A 17 10.049 6.228 -19.840 1.00 71.30 H new ATOM 0 HA LYS A 17 11.149 5.450 -17.403 1.00 15.20 H new ATOM 0 HB2 LYS A 17 11.761 8.032 -18.880 1.00 72.52 H new ATOM 0 HB3 LYS A 17 12.850 7.083 -17.887 1.00 72.52 H new ATOM 0 HG2 LYS A 17 11.889 5.356 -19.951 1.00 5.24 H new ATOM 0 HG3 LYS A 17 12.330 6.871 -20.713 1.00 5.24 H new ATOM 0 HD2 LYS A 17 14.564 6.784 -19.673 1.00 70.15 H new ATOM 0 HD3 LYS A 17 14.130 5.327 -18.803 1.00 70.15 H new ATOM 0 HE2 LYS A 17 14.583 4.016 -20.586 1.00 74.23 H new ATOM 0 HE3 LYS A 17 13.597 4.999 -21.650 1.00 74.23 H new ATOM 0 HZ1 LYS A 17 15.898 4.982 -22.357 1.00 63.13 H new ATOM 0 HZ2 LYS A 17 15.448 6.550 -21.888 1.00 63.13 H new ATOM 0 HZ3 LYS A 17 16.404 5.597 -20.858 1.00 63.13 H new ATOM 269 N LYS A 18 9.422 8.245 -17.274 1.00 42.53 N ATOM 270 CA LYS A 18 8.815 9.212 -16.366 1.00 63.53 C ATOM 271 C LYS A 18 7.953 8.510 -15.322 1.00 71.42 C ATOM 272 O LYS A 18 7.903 8.924 -14.165 1.00 13.14 O ATOM 273 CB LYS A 18 7.969 10.217 -17.150 1.00 53.11 C ATOM 274 CG LYS A 18 8.238 11.663 -16.773 1.00 10.53 C ATOM 275 CD LYS A 18 9.641 12.092 -17.170 1.00 32.52 C ATOM 276 CE LYS A 18 10.378 12.734 -16.005 1.00 23.22 C ATOM 277 NZ LYS A 18 11.825 12.379 -16.001 1.00 13.41 N ATOM 0 H LYS A 18 9.143 8.351 -18.249 1.00 42.53 H new ATOM 0 HA LYS A 18 9.616 9.744 -15.852 1.00 63.53 H new ATOM 0 HB2 LYS A 18 8.159 10.087 -18.215 1.00 53.11 H new ATOM 0 HB3 LYS A 18 6.914 9.998 -16.986 1.00 53.11 H new ATOM 0 HG2 LYS A 18 7.508 12.309 -17.260 1.00 10.53 H new ATOM 0 HG3 LYS A 18 8.108 11.790 -15.698 1.00 10.53 H new ATOM 0 HD2 LYS A 18 10.201 11.226 -17.523 1.00 32.52 H new ATOM 0 HD3 LYS A 18 9.586 12.797 -18.000 1.00 32.52 H new ATOM 0 HE2 LYS A 18 10.270 13.817 -16.059 1.00 23.22 H new ATOM 0 HE3 LYS A 18 9.923 12.415 -15.067 1.00 23.22 H new ATOM 0 HZ1 LYS A 18 12.387 13.214 -15.738 1.00 13.41 H new ATOM 0 HZ2 LYS A 18 11.994 11.617 -15.313 1.00 13.41 H new ATOM 0 HZ3 LYS A 18 12.106 12.058 -16.949 1.00 13.41 H new ATOM 291 N ALA A 19 7.277 7.444 -15.739 1.00 52.01 N ATOM 292 CA ALA A 19 6.420 6.683 -14.839 1.00 34.12 C ATOM 293 C ALA A 19 7.247 5.891 -13.832 1.00 31.10 C ATOM 294 O ALA A 19 6.955 5.893 -12.637 1.00 31.45 O ATOM 295 CB ALA A 19 5.517 5.750 -15.633 1.00 15.55 C ATOM 0 H ALA A 19 7.307 7.088 -16.695 1.00 52.01 H new ATOM 0 HA ALA A 19 5.799 7.388 -14.286 1.00 34.12 H new ATOM 0 HB1 ALA A 19 4.882 5.188 -14.948 1.00 15.55 H new ATOM 0 HB2 ALA A 19 4.893 6.335 -16.308 1.00 15.55 H new ATOM 0 HB3 ALA A 19 6.128 5.058 -16.212 1.00 15.55 H new ATOM 301 N ALA A 20 8.280 5.214 -14.324 1.00 12.44 N ATOM 302 CA ALA A 20 9.150 4.419 -13.466 1.00 51.12 C ATOM 303 C ALA A 20 9.836 5.291 -12.420 1.00 42.24 C ATOM 304 O ALA A 20 9.875 4.945 -11.240 1.00 40.11 O ATOM 305 CB ALA A 20 10.185 3.682 -14.303 1.00 71.01 C ATOM 0 H ALA A 20 8.534 5.200 -15.312 1.00 12.44 H new ATOM 0 HA ALA A 20 8.534 3.688 -12.943 1.00 51.12 H new ATOM 0 HB1 ALA A 20 10.828 3.092 -13.650 1.00 71.01 H new ATOM 0 HB2 ALA A 20 9.680 3.021 -15.008 1.00 71.01 H new ATOM 0 HB3 ALA A 20 10.790 4.404 -14.852 1.00 71.01 H new ATOM 311 N GLN A 21 10.376 6.422 -12.862 1.00 44.40 N ATOM 312 CA GLN A 21 11.063 7.343 -11.963 1.00 35.30 C ATOM 313 C GLN A 21 10.093 7.933 -10.945 1.00 11.24 C ATOM 314 O GLN A 21 10.472 8.236 -9.814 1.00 62.51 O ATOM 315 CB GLN A 21 11.730 8.465 -12.760 1.00 32.02 C ATOM 316 CG GLN A 21 13.230 8.285 -12.924 1.00 44.32 C ATOM 317 CD GLN A 21 13.809 9.172 -14.010 1.00 31.45 C ATOM 318 OE1 GLN A 21 13.540 10.372 -14.055 1.00 42.43 O ATOM 319 NE2 GLN A 21 14.609 8.583 -14.891 1.00 54.01 N ATOM 0 H GLN A 21 10.351 6.723 -13.836 1.00 44.40 H new ATOM 0 HA GLN A 21 11.830 6.784 -11.426 1.00 35.30 H new ATOM 0 HB2 GLN A 21 11.269 8.522 -13.746 1.00 32.02 H new ATOM 0 HB3 GLN A 21 11.539 9.416 -12.263 1.00 32.02 H new ATOM 0 HG2 GLN A 21 13.724 8.506 -11.978 1.00 44.32 H new ATOM 0 HG3 GLN A 21 13.443 7.242 -13.159 1.00 44.32 H new ATOM 0 HE21 GLN A 21 14.804 7.585 -14.815 1.00 54.01 H new ATOM 0 HE22 GLN A 21 15.028 9.129 -15.644 1.00 54.01 H new ATOM 328 N GLY A 22 8.838 8.095 -11.354 1.00 2.30 N ATOM 329 CA GLY A 22 7.834 8.650 -10.465 1.00 73.44 C ATOM 330 C GLY A 22 7.720 7.878 -9.166 1.00 31.13 C ATOM 331 O GLY A 22 7.359 8.440 -8.131 1.00 32.23 O ATOM 0 H GLY A 22 8.499 7.852 -12.285 1.00 2.30 H new ATOM 0 HA2 GLY A 22 8.081 9.689 -10.246 1.00 73.44 H new ATOM 0 HA3 GLY A 22 6.868 8.652 -10.969 1.00 73.44 H new ATOM 335 N LEU A 23 8.027 6.586 -9.218 1.00 12.54 N ATOM 336 CA LEU A 23 7.956 5.735 -8.035 1.00 52.02 C ATOM 337 C LEU A 23 9.110 6.029 -7.082 1.00 61.25 C ATOM 338 O LEU A 23 9.264 5.368 -6.055 1.00 5.43 O ATOM 339 CB LEU A 23 7.978 4.261 -8.442 1.00 60.42 C ATOM 340 CG LEU A 23 6.979 3.848 -9.523 1.00 73.43 C ATOM 341 CD1 LEU A 23 6.928 2.333 -9.653 1.00 44.22 C ATOM 342 CD2 LEU A 23 5.597 4.404 -9.213 1.00 51.41 C ATOM 0 H LEU A 23 8.327 6.105 -10.066 1.00 12.54 H new ATOM 0 HA LEU A 23 7.020 5.949 -7.519 1.00 52.02 H new ATOM 0 HB2 LEU A 23 8.981 4.016 -8.790 1.00 60.42 H new ATOM 0 HB3 LEU A 23 7.792 3.657 -7.554 1.00 60.42 H new ATOM 0 HG LEU A 23 7.311 4.263 -10.474 1.00 73.43 H new ATOM 0 HD11 LEU A 23 6.212 2.058 -10.427 1.00 44.22 H new ATOM 0 HD12 LEU A 23 7.915 1.957 -9.922 1.00 44.22 H new ATOM 0 HD13 LEU A 23 6.621 1.896 -8.703 1.00 44.22 H new ATOM 0 HD21 LEU A 23 4.899 4.100 -9.993 1.00 51.41 H new ATOM 0 HD22 LEU A 23 5.257 4.019 -8.252 1.00 51.41 H new ATOM 0 HD23 LEU A 23 5.643 5.492 -9.172 1.00 51.41 H new ATOM 354 N CYS A 24 9.918 7.025 -7.429 1.00 52.34 N ATOM 355 CA CYS A 24 11.057 7.409 -6.605 1.00 64.01 C ATOM 356 C CYS A 24 10.951 8.870 -6.176 1.00 62.50 C ATOM 357 O CYS A 24 11.038 9.186 -4.989 1.00 50.12 O ATOM 358 CB CYS A 24 12.364 7.184 -7.368 1.00 62.13 C ATOM 359 SG CYS A 24 13.499 6.005 -6.568 1.00 2.11 S ATOM 0 H CYS A 24 9.805 7.581 -8.276 1.00 52.34 H new ATOM 0 HA CYS A 24 11.053 6.785 -5.711 1.00 64.01 H new ATOM 0 HB2 CYS A 24 12.130 6.824 -8.370 1.00 62.13 H new ATOM 0 HB3 CYS A 24 12.874 8.141 -7.484 1.00 62.13 H new ATOM 364 N ILE A 25 10.763 9.754 -7.149 1.00 52.14 N ATOM 365 CA ILE A 25 10.643 11.180 -6.872 1.00 44.15 C ATOM 366 C ILE A 25 9.383 11.480 -6.068 1.00 50.33 C ATOM 367 O ILE A 25 9.425 12.204 -5.073 1.00 22.13 O ATOM 368 CB ILE A 25 10.618 12.006 -8.172 1.00 63.13 C ATOM 369 CG1 ILE A 25 11.898 11.769 -8.977 1.00 52.52 C ATOM 370 CG2 ILE A 25 10.450 13.485 -7.857 1.00 71.31 C ATOM 371 CD1 ILE A 25 11.745 10.728 -10.063 1.00 74.14 C ATOM 0 H ILE A 25 10.690 9.508 -8.136 1.00 52.14 H new ATOM 0 HA ILE A 25 11.519 11.463 -6.288 1.00 44.15 H new ATOM 0 HB ILE A 25 9.768 11.684 -8.773 1.00 63.13 H new ATOM 0 HG12 ILE A 25 12.213 12.710 -9.429 1.00 52.52 H new ATOM 0 HG13 ILE A 25 12.693 11.460 -8.298 1.00 52.52 H new ATOM 0 HG21 ILE A 25 10.434 14.055 -8.786 1.00 71.31 H new ATOM 0 HG22 ILE A 25 9.514 13.639 -7.321 1.00 71.31 H new ATOM 0 HG23 ILE A 25 11.282 13.822 -7.238 1.00 71.31 H new ATOM 0 HD11 ILE A 25 12.691 10.612 -10.592 1.00 74.14 H new ATOM 0 HD12 ILE A 25 11.460 9.775 -9.616 1.00 74.14 H new ATOM 0 HD13 ILE A 25 10.973 11.045 -10.765 1.00 74.14 H new ATOM 383 N THR A 26 8.261 10.918 -6.506 1.00 35.24 N ATOM 384 CA THR A 26 6.987 11.124 -5.827 1.00 4.02 C ATOM 385 C THR A 26 6.904 10.295 -4.550 1.00 44.12 C ATOM 386 O THR A 26 6.359 10.744 -3.542 1.00 24.22 O ATOM 387 CB THR A 26 5.800 10.762 -6.738 1.00 53.34 C ATOM 388 OG1 THR A 26 5.079 11.947 -7.097 1.00 61.42 O ATOM 389 CG2 THR A 26 4.864 9.784 -6.045 1.00 72.31 C ATOM 0 H THR A 26 8.208 10.316 -7.328 1.00 35.24 H new ATOM 0 HA THR A 26 6.932 12.183 -5.574 1.00 4.02 H new ATOM 0 HB THR A 26 6.193 10.289 -7.638 1.00 53.34 H new ATOM 0 HG1 THR A 26 4.327 11.709 -7.678 1.00 61.42 H new ATOM 0 HG21 THR A 26 4.033 9.543 -6.708 1.00 72.31 H new ATOM 0 HG22 THR A 26 5.408 8.872 -5.799 1.00 72.31 H new ATOM 0 HG23 THR A 26 4.479 10.235 -5.130 1.00 72.31 H new ATOM 397 N SER A 27 7.449 9.084 -4.600 1.00 71.43 N ATOM 398 CA SER A 27 7.433 8.190 -3.448 1.00 4.32 C ATOM 399 C SER A 27 8.169 8.815 -2.266 1.00 43.13 C ATOM 400 O SER A 27 7.840 8.558 -1.108 1.00 54.01 O ATOM 401 CB SER A 27 8.071 6.847 -3.808 1.00 44.32 C ATOM 402 OG SER A 27 7.514 5.795 -3.039 1.00 43.43 O ATOM 0 H SER A 27 7.907 8.699 -5.426 1.00 71.43 H new ATOM 0 HA SER A 27 6.394 8.025 -3.162 1.00 4.32 H new ATOM 0 HB2 SER A 27 7.924 6.644 -4.869 1.00 44.32 H new ATOM 0 HB3 SER A 27 9.147 6.895 -3.639 1.00 44.32 H new ATOM 0 HG SER A 27 6.968 5.222 -3.616 1.00 43.43 H new ATOM 408 N CYS A 28 9.169 9.637 -2.568 1.00 14.52 N ATOM 409 CA CYS A 28 9.953 10.300 -1.533 1.00 22.11 C ATOM 410 C CYS A 28 9.144 11.406 -0.861 1.00 62.31 C ATOM 411 O CYS A 28 9.169 11.552 0.361 1.00 51.32 O ATOM 412 CB CYS A 28 11.236 10.882 -2.130 1.00 52.12 C ATOM 413 SG CYS A 28 12.761 10.317 -1.310 1.00 62.13 S ATOM 0 H CYS A 28 9.455 9.860 -3.521 1.00 14.52 H new ATOM 0 HA CYS A 28 10.215 9.557 -0.779 1.00 22.11 H new ATOM 0 HB2 CYS A 28 11.285 10.618 -3.186 1.00 52.12 H new ATOM 0 HB3 CYS A 28 11.189 11.970 -2.076 1.00 52.12 H new ATOM 418 N SER A 29 8.428 12.181 -1.669 1.00 12.13 N ATOM 419 CA SER A 29 7.614 13.276 -1.153 1.00 71.05 C ATOM 420 C SER A 29 6.623 12.771 -0.109 1.00 4.55 C ATOM 421 O SER A 29 6.274 13.489 0.829 1.00 63.34 O ATOM 422 CB SER A 29 6.862 13.962 -2.296 1.00 3.12 C ATOM 423 OG SER A 29 6.650 15.335 -2.015 1.00 21.33 O ATOM 0 H SER A 29 8.395 12.071 -2.683 1.00 12.13 H new ATOM 0 HA SER A 29 8.279 13.998 -0.679 1.00 71.05 H new ATOM 0 HB2 SER A 29 7.429 13.860 -3.221 1.00 3.12 H new ATOM 0 HB3 SER A 29 5.903 13.467 -2.453 1.00 3.12 H new ATOM 0 HG SER A 29 6.169 15.751 -2.761 1.00 21.33 H new ATOM 429 N MET A 30 6.175 11.532 -0.278 1.00 15.14 N ATOM 430 CA MET A 30 5.225 10.930 0.651 1.00 11.22 C ATOM 431 C MET A 30 5.900 10.595 1.977 1.00 32.24 C ATOM 432 O MET A 30 5.230 10.370 2.985 1.00 53.41 O ATOM 433 CB MET A 30 4.614 9.666 0.042 1.00 4.52 C ATOM 434 CG MET A 30 4.271 9.807 -1.432 1.00 25.20 C ATOM 435 SD MET A 30 2.640 9.150 -1.831 1.00 44.03 S ATOM 436 CE MET A 30 2.960 7.389 -1.767 1.00 74.23 C ATOM 0 H MET A 30 6.454 10.925 -1.049 1.00 15.14 H new ATOM 0 HA MET A 30 4.432 11.653 0.840 1.00 11.22 H new ATOM 0 HB2 MET A 30 5.312 8.838 0.167 1.00 4.52 H new ATOM 0 HB3 MET A 30 3.710 9.407 0.594 1.00 4.52 H new ATOM 0 HG2 MET A 30 4.313 10.860 -1.712 1.00 25.20 H new ATOM 0 HG3 MET A 30 5.023 9.289 -2.027 1.00 25.20 H new ATOM 0 HE1 MET A 30 2.043 6.844 -1.993 1.00 74.23 H new ATOM 0 HE2 MET A 30 3.725 7.131 -2.500 1.00 74.23 H new ATOM 0 HE3 MET A 30 3.307 7.118 -0.770 1.00 74.23 H new ATOM 446 N GLN A 31 7.228 10.562 1.969 1.00 45.24 N ATOM 447 CA GLN A 31 7.992 10.253 3.171 1.00 25.04 C ATOM 448 C GLN A 31 8.673 11.502 3.720 1.00 5.40 C ATOM 449 O GLN A 31 9.628 11.413 4.491 1.00 60.12 O ATOM 450 CB GLN A 31 9.038 9.177 2.874 1.00 30.43 C ATOM 451 CG GLN A 31 8.671 8.279 1.704 1.00 61.32 C ATOM 452 CD GLN A 31 9.196 6.866 1.865 1.00 65.10 C ATOM 453 OE1 GLN A 31 10.227 6.505 1.295 1.00 55.43 O ATOM 454 NE2 GLN A 31 8.490 6.057 2.645 1.00 34.42 N ATOM 0 H GLN A 31 7.798 10.746 1.143 1.00 45.24 H new ATOM 0 HA GLN A 31 7.299 9.878 3.924 1.00 25.04 H new ATOM 0 HB2 GLN A 31 9.994 9.658 2.666 1.00 30.43 H new ATOM 0 HB3 GLN A 31 9.178 8.562 3.763 1.00 30.43 H new ATOM 0 HG2 GLN A 31 7.586 8.250 1.600 1.00 61.32 H new ATOM 0 HG3 GLN A 31 9.068 8.707 0.784 1.00 61.32 H new ATOM 0 HE21 GLN A 31 7.642 6.397 3.098 1.00 34.42 H new ATOM 0 HE22 GLN A 31 8.796 5.095 2.792 1.00 34.42 H new ATOM 463 N ASN A 32 8.176 12.667 3.317 1.00 40.04 N ATOM 464 CA ASN A 32 8.737 13.935 3.767 1.00 5.33 C ATOM 465 C ASN A 32 10.164 14.111 3.256 1.00 41.01 C ATOM 466 O ASN A 32 11.039 14.594 3.976 1.00 75.10 O ATOM 467 CB ASN A 32 8.719 14.011 5.295 1.00 33.14 C ATOM 468 CG ASN A 32 7.483 13.365 5.891 1.00 32.40 C ATOM 469 OD1 ASN A 32 6.370 13.556 5.399 1.00 5.15 O ATOM 470 ND2 ASN A 32 7.673 12.594 6.956 1.00 41.31 N ATOM 0 H ASN A 32 7.385 12.759 2.679 1.00 40.04 H new ATOM 0 HA ASN A 32 8.123 14.739 3.362 1.00 5.33 H new ATOM 0 HB2 ASN A 32 9.609 13.521 5.691 1.00 33.14 H new ATOM 0 HB3 ASN A 32 8.765 15.055 5.605 1.00 33.14 H new ATOM 0 HD21 ASN A 32 6.879 12.132 7.400 1.00 41.31 H new ATOM 0 HD22 ASN A 32 8.613 12.464 7.330 1.00 41.31 H new ATOM 477 N CYS A 33 10.392 13.716 2.008 1.00 41.33 N ATOM 478 CA CYS A 33 11.712 13.830 1.398 1.00 34.43 C ATOM 479 C CYS A 33 11.731 14.934 0.345 1.00 63.41 C ATOM 480 O CYS A 33 10.760 15.672 0.186 1.00 60.32 O ATOM 481 CB CYS A 33 12.120 12.498 0.765 1.00 0.11 C ATOM 482 SG CYS A 33 12.441 11.170 1.969 1.00 22.45 S ATOM 0 H CYS A 33 9.680 13.314 1.399 1.00 41.33 H new ATOM 0 HA CYS A 33 12.426 14.087 2.180 1.00 34.43 H new ATOM 0 HB2 CYS A 33 11.332 12.175 0.085 1.00 0.11 H new ATOM 0 HB3 CYS A 33 13.016 12.653 0.164 1.00 0.11 H new ATOM 487 N GLY A 34 12.846 15.040 -0.373 1.00 34.51 N ATOM 488 CA GLY A 34 12.971 16.055 -1.402 1.00 4.01 C ATOM 489 C GLY A 34 12.908 15.474 -2.801 1.00 14.25 C ATOM 490 O GLY A 34 12.055 15.858 -3.603 1.00 22.44 O ATOM 0 H GLY A 34 13.664 14.441 -0.260 1.00 34.51 H new ATOM 0 HA2 GLY A 34 12.175 16.790 -1.281 1.00 4.01 H new ATOM 0 HA3 GLY A 34 13.916 16.584 -1.274 1.00 4.01 H new ATOM 494 N THR A 35 13.813 14.547 -3.097 1.00 31.34 N ATOM 495 CA THR A 35 13.858 13.914 -4.409 1.00 1.03 C ATOM 496 C THR A 35 14.296 12.458 -4.302 1.00 74.30 C ATOM 497 O THR A 35 14.544 11.953 -3.208 1.00 63.52 O ATOM 498 CB THR A 35 14.816 14.658 -5.358 1.00 60.23 C ATOM 499 OG1 THR A 35 14.611 14.217 -6.705 1.00 71.12 O ATOM 500 CG2 THR A 35 16.265 14.424 -4.958 1.00 32.21 C ATOM 0 H THR A 35 14.525 14.218 -2.445 1.00 31.34 H new ATOM 0 HA THR A 35 12.848 13.957 -4.816 1.00 1.03 H new ATOM 0 HB THR A 35 14.604 15.725 -5.289 1.00 60.23 H new ATOM 0 HG1 THR A 35 15.223 14.696 -7.303 1.00 71.12 H new ATOM 0 HG21 THR A 35 16.923 14.959 -5.643 1.00 32.21 H new ATOM 0 HG22 THR A 35 16.425 14.787 -3.943 1.00 32.21 H new ATOM 0 HG23 THR A 35 16.487 13.358 -5.001 1.00 32.21 H new ATOM 508 N GLY A 36 14.388 11.787 -5.446 1.00 64.14 N ATOM 509 CA GLY A 36 14.797 10.394 -5.459 1.00 51.40 C ATOM 510 C GLY A 36 15.085 9.887 -6.858 1.00 41.42 C ATOM 511 O GLY A 36 14.268 10.048 -7.764 1.00 74.44 O ATOM 0 H GLY A 36 14.187 12.183 -6.364 1.00 64.14 H new ATOM 0 HA2 GLY A 36 15.688 10.274 -4.842 1.00 51.40 H new ATOM 0 HA3 GLY A 36 14.013 9.784 -5.009 1.00 51.40 H new ATOM 515 N SER A 37 16.251 9.275 -7.036 1.00 5.35 N ATOM 516 CA SER A 37 16.648 8.748 -8.336 1.00 1.00 C ATOM 517 C SER A 37 16.865 7.239 -8.267 1.00 54.34 C ATOM 518 O SER A 37 17.323 6.711 -7.254 1.00 5.51 O ATOM 519 CB SER A 37 17.925 9.436 -8.821 1.00 43.41 C ATOM 520 OG SER A 37 17.924 9.580 -10.231 1.00 35.31 O ATOM 0 H SER A 37 16.938 9.132 -6.296 1.00 5.35 H new ATOM 0 HA SER A 37 15.844 8.951 -9.043 1.00 1.00 H new ATOM 0 HB2 SER A 37 18.014 10.416 -8.352 1.00 43.41 H new ATOM 0 HB3 SER A 37 18.794 8.855 -8.512 1.00 43.41 H new ATOM 0 HG SER A 37 18.750 10.024 -10.515 1.00 35.31 H new ATOM 526 N CYS A 38 16.531 6.550 -9.353 1.00 52.24 N ATOM 527 CA CYS A 38 16.687 5.102 -9.419 1.00 2.21 C ATOM 528 C CYS A 38 17.770 4.717 -10.423 1.00 30.12 C ATOM 529 O CYS A 38 17.891 5.325 -11.487 1.00 21.24 O ATOM 530 CB CYS A 38 15.362 4.442 -9.803 1.00 74.04 C ATOM 531 SG CYS A 38 14.868 4.719 -11.535 1.00 30.50 S ATOM 0 H CYS A 38 16.150 6.972 -10.200 1.00 52.24 H new ATOM 0 HA CYS A 38 16.988 4.749 -8.433 1.00 2.21 H new ATOM 0 HB2 CYS A 38 15.438 3.369 -9.625 1.00 74.04 H new ATOM 0 HB3 CYS A 38 14.577 4.819 -9.148 1.00 74.04 H new ATOM 536 N LYS A 39 18.555 3.702 -10.077 1.00 43.41 N ATOM 537 CA LYS A 39 19.627 3.233 -10.947 1.00 5.32 C ATOM 538 C LYS A 39 19.796 1.721 -10.836 1.00 54.32 C ATOM 539 O LYS A 39 19.493 1.126 -9.802 1.00 15.43 O ATOM 540 CB LYS A 39 20.942 3.931 -10.591 1.00 65.33 C ATOM 541 CG LYS A 39 20.809 5.435 -10.428 1.00 75.21 C ATOM 542 CD LYS A 39 22.119 6.067 -9.990 1.00 50.13 C ATOM 543 CE LYS A 39 22.141 7.561 -10.277 1.00 75.33 C ATOM 544 NZ LYS A 39 23.458 8.004 -10.810 1.00 44.21 N ATOM 0 H LYS A 39 18.469 3.188 -9.200 1.00 43.41 H new ATOM 0 HA LYS A 39 19.360 3.476 -11.975 1.00 5.32 H new ATOM 0 HB2 LYS A 39 21.329 3.507 -9.665 1.00 65.33 H new ATOM 0 HB3 LYS A 39 21.676 3.722 -11.369 1.00 65.33 H new ATOM 0 HG2 LYS A 39 20.488 5.877 -11.371 1.00 75.21 H new ATOM 0 HG3 LYS A 39 20.034 5.655 -9.693 1.00 75.21 H new ATOM 0 HD2 LYS A 39 22.267 5.898 -8.923 1.00 50.13 H new ATOM 0 HD3 LYS A 39 22.948 5.584 -10.507 1.00 50.13 H new ATOM 0 HE2 LYS A 39 21.358 7.804 -10.995 1.00 75.33 H new ATOM 0 HE3 LYS A 39 21.916 8.110 -9.362 1.00 75.33 H new ATOM 0 HZ1 LYS A 39 23.432 9.028 -10.993 1.00 44.21 H new ATOM 0 HZ2 LYS A 39 24.202 7.795 -10.114 1.00 44.21 H new ATOM 0 HZ3 LYS A 39 23.661 7.499 -11.696 1.00 44.21 H new ATOM 558 N LYS A 40 20.282 1.105 -11.908 1.00 72.30 N ATOM 559 CA LYS A 40 20.493 -0.338 -11.931 1.00 44.23 C ATOM 560 C LYS A 40 21.667 -0.730 -11.039 1.00 40.14 C ATOM 561 O LYS A 40 22.818 -0.407 -11.334 1.00 52.21 O ATOM 562 CB LYS A 40 20.746 -0.814 -13.364 1.00 2.24 C ATOM 563 CG LYS A 40 19.537 -1.468 -14.009 1.00 41.15 C ATOM 564 CD LYS A 40 19.108 -2.715 -13.255 1.00 63.31 C ATOM 565 CE LYS A 40 18.434 -3.720 -14.177 1.00 24.02 C ATOM 566 NZ LYS A 40 19.352 -4.188 -15.252 1.00 73.43 N ATOM 0 H LYS A 40 20.537 1.582 -12.773 1.00 72.30 H new ATOM 0 HA LYS A 40 19.592 -0.818 -11.549 1.00 44.23 H new ATOM 0 HB2 LYS A 40 21.056 0.037 -13.971 1.00 2.24 H new ATOM 0 HB3 LYS A 40 21.574 -1.523 -13.362 1.00 2.24 H new ATOM 0 HG2 LYS A 40 18.711 -0.758 -14.039 1.00 41.15 H new ATOM 0 HG3 LYS A 40 19.771 -1.728 -15.041 1.00 41.15 H new ATOM 0 HD2 LYS A 40 19.978 -3.176 -12.787 1.00 63.31 H new ATOM 0 HD3 LYS A 40 18.423 -2.439 -12.453 1.00 63.31 H new ATOM 0 HE2 LYS A 40 18.091 -4.575 -13.594 1.00 24.02 H new ATOM 0 HE3 LYS A 40 17.551 -3.266 -14.626 1.00 24.02 H new ATOM 0 HZ1 LYS A 40 19.020 -3.833 -16.171 1.00 73.43 H new ATOM 0 HZ2 LYS A 40 20.311 -3.831 -15.069 1.00 73.43 H new ATOM 0 HZ3 LYS A 40 19.367 -5.228 -15.267 1.00 73.43 H new ATOM 580 N ARG A 41 21.368 -1.429 -9.949 1.00 42.03 N ATOM 581 CA ARG A 41 22.399 -1.865 -9.015 1.00 71.31 C ATOM 582 C ARG A 41 22.753 -3.332 -9.242 1.00 34.21 C ATOM 583 O ARG A 41 21.993 -4.228 -8.874 1.00 71.24 O ATOM 584 CB ARG A 41 21.931 -1.660 -7.573 1.00 54.43 C ATOM 585 CG ARG A 41 21.683 -0.203 -7.215 1.00 60.32 C ATOM 586 CD ARG A 41 22.966 0.611 -7.273 1.00 63.52 C ATOM 587 NE ARG A 41 23.954 0.146 -6.303 1.00 34.34 N ATOM 588 CZ ARG A 41 25.237 0.487 -6.339 1.00 12.15 C ATOM 589 NH1 ARG A 41 25.686 1.292 -7.291 1.00 55.34 N ATOM 590 NH2 ARG A 41 26.074 0.023 -5.420 1.00 0.15 N ATOM 0 H ARG A 41 20.421 -1.705 -9.691 1.00 42.03 H new ATOM 0 HA ARG A 41 23.290 -1.262 -9.190 1.00 71.31 H new ATOM 0 HB2 ARG A 41 21.013 -2.226 -7.414 1.00 54.43 H new ATOM 0 HB3 ARG A 41 22.680 -2.070 -6.895 1.00 54.43 H new ATOM 0 HG2 ARG A 41 20.950 0.222 -7.901 1.00 60.32 H new ATOM 0 HG3 ARG A 41 21.256 -0.141 -6.214 1.00 60.32 H new ATOM 0 HD2 ARG A 41 23.388 0.552 -8.276 1.00 63.52 H new ATOM 0 HD3 ARG A 41 22.738 1.660 -7.084 1.00 63.52 H new ATOM 0 HE ARG A 41 23.641 -0.475 -5.557 1.00 34.34 H new ATOM 0 HH11 ARG A 41 25.046 1.652 -7.999 1.00 55.34 H new ATOM 0 HH12 ARG A 41 26.672 1.552 -7.316 1.00 55.34 H new ATOM 0 HH21 ARG A 41 25.732 -0.596 -4.685 1.00 0.15 H new ATOM 0 HH22 ARG A 41 27.059 0.285 -5.449 1.00 0.15 H new ATOM 604 N SER A 42 23.910 -3.569 -9.850 1.00 65.22 N ATOM 605 CA SER A 42 24.363 -4.927 -10.130 1.00 50.22 C ATOM 606 C SER A 42 23.383 -5.647 -11.051 1.00 33.21 C ATOM 607 O SER A 42 23.241 -6.868 -10.992 1.00 14.30 O ATOM 608 CB SER A 42 24.527 -5.711 -8.827 1.00 72.40 C ATOM 609 OG SER A 42 25.744 -6.437 -8.818 1.00 72.23 O ATOM 0 H SER A 42 24.552 -2.839 -10.159 1.00 65.22 H new ATOM 0 HA SER A 42 25.328 -4.866 -10.632 1.00 50.22 H new ATOM 0 HB2 SER A 42 24.503 -5.025 -7.981 1.00 72.40 H new ATOM 0 HB3 SER A 42 23.689 -6.398 -8.704 1.00 72.40 H new ATOM 0 HG SER A 42 25.826 -6.928 -7.974 1.00 72.23 H new ATOM 615 N GLY A 43 22.708 -4.881 -11.902 1.00 53.34 N ATOM 616 CA GLY A 43 21.749 -5.462 -12.824 1.00 11.22 C ATOM 617 C GLY A 43 20.370 -5.607 -12.211 1.00 22.23 C ATOM 618 O GLY A 43 19.517 -6.315 -12.746 1.00 50.01 O ATOM 0 H GLY A 43 22.808 -3.868 -11.970 1.00 53.34 H new ATOM 0 HA2 GLY A 43 21.683 -4.839 -13.716 1.00 11.22 H new ATOM 0 HA3 GLY A 43 22.105 -6.441 -13.145 1.00 11.22 H new ATOM 622 N ARG A 44 20.152 -4.937 -11.084 1.00 53.01 N ATOM 623 CA ARG A 44 18.868 -4.997 -10.396 1.00 72.30 C ATOM 624 C ARG A 44 18.242 -3.610 -10.290 1.00 3.54 C ATOM 625 O ARG A 44 18.901 -2.630 -9.941 1.00 43.30 O ATOM 626 CB ARG A 44 19.041 -5.599 -9.000 1.00 51.22 C ATOM 627 CG ARG A 44 19.552 -7.030 -9.013 1.00 32.21 C ATOM 628 CD ARG A 44 18.442 -8.015 -9.345 1.00 54.01 C ATOM 629 NE ARG A 44 18.672 -9.324 -8.740 1.00 62.12 N ATOM 630 CZ ARG A 44 18.095 -10.442 -9.166 1.00 34.25 C ATOM 631 NH1 ARG A 44 17.257 -10.410 -10.193 1.00 20.32 N ATOM 632 NH2 ARG A 44 18.355 -11.596 -8.563 1.00 51.52 N ATOM 0 H ARG A 44 20.848 -4.347 -10.628 1.00 53.01 H new ATOM 0 HA ARG A 44 18.202 -5.633 -10.979 1.00 72.30 H new ATOM 0 HB2 ARG A 44 19.734 -4.980 -8.430 1.00 51.22 H new ATOM 0 HB3 ARG A 44 18.084 -5.569 -8.479 1.00 51.22 H new ATOM 0 HG2 ARG A 44 20.354 -7.124 -9.745 1.00 32.21 H new ATOM 0 HG3 ARG A 44 19.978 -7.274 -8.040 1.00 32.21 H new ATOM 0 HD2 ARG A 44 17.489 -7.617 -8.997 1.00 54.01 H new ATOM 0 HD3 ARG A 44 18.366 -8.124 -10.427 1.00 54.01 H new ATOM 0 HE ARG A 44 19.311 -9.383 -7.947 1.00 62.12 H new ATOM 0 HH11 ARG A 44 17.054 -9.525 -10.658 1.00 20.32 H new ATOM 0 HH12 ARG A 44 16.815 -11.270 -10.518 1.00 20.32 H new ATOM 0 HH21 ARG A 44 18.998 -11.624 -7.772 1.00 51.52 H new ATOM 0 HH22 ARG A 44 17.911 -12.454 -8.891 1.00 51.52 H new ATOM 646 N PRO A 45 16.940 -3.522 -10.597 1.00 73.13 N ATOM 647 CA PRO A 45 16.197 -2.260 -10.544 1.00 13.42 C ATOM 648 C PRO A 45 15.993 -1.767 -9.115 1.00 73.12 C ATOM 649 O PRO A 45 15.001 -2.104 -8.466 1.00 45.54 O ATOM 650 CB PRO A 45 14.852 -2.612 -11.185 1.00 41.21 C ATOM 651 CG PRO A 45 14.702 -4.078 -10.968 1.00 73.15 C ATOM 652 CD PRO A 45 16.092 -4.649 -11.021 1.00 32.13 C ATOM 0 HA PRO A 45 16.728 -1.454 -11.050 1.00 13.42 H new ATOM 0 HB2 PRO A 45 14.036 -2.058 -10.722 1.00 41.21 H new ATOM 0 HB3 PRO A 45 14.843 -2.366 -12.247 1.00 41.21 H new ATOM 0 HG2 PRO A 45 14.232 -4.284 -10.006 1.00 73.15 H new ATOM 0 HG3 PRO A 45 14.068 -4.523 -11.735 1.00 73.15 H new ATOM 0 HD2 PRO A 45 16.200 -5.506 -10.356 1.00 32.13 H new ATOM 0 HD3 PRO A 45 16.348 -4.990 -12.024 1.00 32.13 H new ATOM 660 N THR A 46 16.937 -0.967 -8.629 1.00 70.22 N ATOM 661 CA THR A 46 16.861 -0.429 -7.277 1.00 41.20 C ATOM 662 C THR A 46 16.472 1.045 -7.293 1.00 72.10 C ATOM 663 O THR A 46 16.947 1.814 -8.129 1.00 53.12 O ATOM 664 CB THR A 46 18.201 -0.586 -6.534 1.00 21.02 C ATOM 665 OG1 THR A 46 18.548 -1.972 -6.437 1.00 42.14 O ATOM 666 CG2 THR A 46 18.122 0.020 -5.141 1.00 14.12 C ATOM 0 H THR A 46 17.763 -0.677 -9.152 1.00 70.22 H new ATOM 0 HA THR A 46 16.094 -0.999 -6.753 1.00 41.20 H new ATOM 0 HB THR A 46 18.969 -0.058 -7.100 1.00 21.02 H new ATOM 0 HG1 THR A 46 19.402 -2.063 -5.965 1.00 42.14 H new ATOM 0 HG21 THR A 46 19.080 -0.103 -4.636 1.00 14.12 H new ATOM 0 HG22 THR A 46 17.886 1.081 -5.219 1.00 14.12 H new ATOM 0 HG23 THR A 46 17.343 -0.484 -4.569 1.00 14.12 H new ATOM 674 N CYS A 47 15.605 1.433 -6.364 1.00 2.24 N ATOM 675 CA CYS A 47 15.152 2.816 -6.270 1.00 75.41 C ATOM 676 C CYS A 47 15.812 3.526 -5.092 1.00 42.44 C ATOM 677 O CYS A 47 15.656 3.120 -3.941 1.00 24.31 O ATOM 678 CB CYS A 47 13.630 2.866 -6.122 1.00 34.13 C ATOM 679 SG CYS A 47 12.833 4.193 -7.082 1.00 15.11 S ATOM 0 H CYS A 47 15.202 0.809 -5.665 1.00 2.24 H new ATOM 0 HA CYS A 47 15.439 3.330 -7.188 1.00 75.41 H new ATOM 0 HB2 CYS A 47 13.214 1.908 -6.432 1.00 34.13 H new ATOM 0 HB3 CYS A 47 13.382 2.995 -5.068 1.00 34.13 H new ATOM 684 N VAL A 48 16.551 4.591 -5.390 1.00 14.14 N ATOM 685 CA VAL A 48 17.234 5.360 -4.356 1.00 61.14 C ATOM 686 C VAL A 48 16.591 6.730 -4.175 1.00 35.02 C ATOM 687 O VAL A 48 16.079 7.319 -5.127 1.00 52.14 O ATOM 688 CB VAL A 48 18.726 5.546 -4.690 1.00 22.00 C ATOM 689 CG1 VAL A 48 19.514 5.899 -3.437 1.00 74.42 C ATOM 690 CG2 VAL A 48 19.285 4.293 -5.346 1.00 24.51 C ATOM 0 H VAL A 48 16.692 4.940 -6.338 1.00 14.14 H new ATOM 0 HA VAL A 48 17.144 4.794 -3.429 1.00 61.14 H new ATOM 0 HB VAL A 48 18.822 6.371 -5.395 1.00 22.00 H new ATOM 0 HG11 VAL A 48 20.566 6.027 -3.693 1.00 74.42 H new ATOM 0 HG12 VAL A 48 19.128 6.827 -3.014 1.00 74.42 H new ATOM 0 HG13 VAL A 48 19.413 5.097 -2.706 1.00 74.42 H new ATOM 0 HG21 VAL A 48 20.340 4.442 -5.575 1.00 24.51 H new ATOM 0 HG22 VAL A 48 19.177 3.448 -4.667 1.00 24.51 H new ATOM 0 HG23 VAL A 48 18.739 4.090 -6.267 1.00 24.51 H new ATOM 700 N CYS A 49 16.620 7.233 -2.945 1.00 71.02 N ATOM 701 CA CYS A 49 16.040 8.534 -2.637 1.00 13.43 C ATOM 702 C CYS A 49 17.118 9.520 -2.195 1.00 61.24 C ATOM 703 O CYS A 49 18.242 9.127 -1.881 1.00 32.01 O ATOM 704 CB CYS A 49 14.980 8.397 -1.542 1.00 11.11 C ATOM 705 SG CYS A 49 13.276 8.690 -2.116 1.00 10.25 S ATOM 0 H CYS A 49 17.039 6.759 -2.145 1.00 71.02 H new ATOM 0 HA CYS A 49 15.570 8.918 -3.543 1.00 13.43 H new ATOM 0 HB2 CYS A 49 15.041 7.396 -1.115 1.00 11.11 H new ATOM 0 HB3 CYS A 49 15.208 9.100 -0.741 1.00 11.11 H new ATOM 710 N TYR A 50 16.768 10.801 -2.175 1.00 32.14 N ATOM 711 CA TYR A 50 17.705 11.843 -1.774 1.00 44.31 C ATOM 712 C TYR A 50 16.966 13.059 -1.224 1.00 1.02 C ATOM 713 O TYR A 50 15.737 13.123 -1.264 1.00 23.22 O ATOM 714 CB TYR A 50 18.578 12.257 -2.960 1.00 71.15 C ATOM 715 CG TYR A 50 19.443 11.138 -3.495 1.00 70.01 C ATOM 716 CD1 TYR A 50 20.709 10.903 -2.973 1.00 61.41 C ATOM 717 CD2 TYR A 50 18.995 10.317 -4.522 1.00 61.05 C ATOM 718 CE1 TYR A 50 21.503 9.882 -3.459 1.00 25.12 C ATOM 719 CE2 TYR A 50 19.782 9.293 -5.013 1.00 51.23 C ATOM 720 CZ TYR A 50 21.035 9.080 -4.478 1.00 63.35 C ATOM 721 OH TYR A 50 21.823 8.062 -4.966 1.00 33.24 O ATOM 0 H TYR A 50 15.842 11.143 -2.432 1.00 32.14 H new ATOM 0 HA TYR A 50 18.341 11.440 -0.986 1.00 44.31 H new ATOM 0 HB2 TYR A 50 17.937 12.624 -3.761 1.00 71.15 H new ATOM 0 HB3 TYR A 50 19.217 13.086 -2.658 1.00 71.15 H new ATOM 0 HD1 TYR A 50 21.079 11.529 -2.174 1.00 61.41 H new ATOM 0 HD2 TYR A 50 18.015 10.482 -4.944 1.00 61.05 H new ATOM 0 HE1 TYR A 50 22.485 9.713 -3.043 1.00 25.12 H new ATOM 0 HE2 TYR A 50 19.418 8.663 -5.811 1.00 51.23 H new ATOM 0 HH TYR A 50 21.345 7.592 -5.681 1.00 33.24 H new ATOM 731 N ARG A 51 17.725 14.022 -0.711 1.00 15.33 N ATOM 732 CA ARG A 51 17.143 15.237 -0.152 1.00 31.55 C ATOM 733 C ARG A 51 16.054 14.900 0.864 1.00 43.45 C ATOM 734 O ARG A 51 15.106 15.663 1.048 1.00 14.44 O ATOM 735 CB ARG A 51 16.564 16.110 -1.266 1.00 12.11 C ATOM 736 CG ARG A 51 17.585 16.514 -2.316 1.00 63.35 C ATOM 737 CD ARG A 51 17.405 17.963 -2.741 1.00 24.14 C ATOM 738 NE ARG A 51 18.685 18.641 -2.928 1.00 40.33 N ATOM 739 CZ ARG A 51 19.459 19.040 -1.925 1.00 65.14 C ATOM 740 NH1 ARG A 51 19.086 18.829 -0.671 1.00 22.22 N ATOM 741 NH2 ARG A 51 20.610 19.651 -2.177 1.00 23.25 N ATOM 0 H ARG A 51 18.744 13.985 -0.671 1.00 15.33 H new ATOM 0 HA ARG A 51 17.934 15.788 0.357 1.00 31.55 H new ATOM 0 HB2 ARG A 51 15.750 15.572 -1.751 1.00 12.11 H new ATOM 0 HB3 ARG A 51 16.134 17.009 -0.825 1.00 12.11 H new ATOM 0 HG2 ARG A 51 18.591 16.372 -1.920 1.00 63.35 H new ATOM 0 HG3 ARG A 51 17.490 15.864 -3.186 1.00 63.35 H new ATOM 0 HD2 ARG A 51 16.836 18.000 -3.670 1.00 24.14 H new ATOM 0 HD3 ARG A 51 16.821 18.492 -1.988 1.00 24.14 H new ATOM 0 HE ARG A 51 19.002 18.818 -3.881 1.00 40.33 H new ATOM 0 HH11 ARG A 51 18.202 18.359 -0.474 1.00 22.22 H new ATOM 0 HH12 ARG A 51 19.683 19.137 0.097 1.00 22.22 H new ATOM 0 HH21 ARG A 51 20.900 19.814 -3.141 1.00 23.25 H new ATOM 0 HH22 ARG A 51 21.204 19.957 -1.407 1.00 23.25 H new ATOM 755 N CYS A 52 16.197 13.753 1.519 1.00 44.23 N ATOM 756 CA CYS A 52 15.227 13.314 2.514 1.00 0.43 C ATOM 757 C CYS A 52 15.345 14.142 3.791 1.00 42.12 C ATOM 758 O CYS A 52 16.241 14.976 3.922 1.00 70.44 O ATOM 759 CB CYS A 52 15.428 11.832 2.834 1.00 22.22 C ATOM 760 SG CYS A 52 13.880 10.916 3.121 1.00 54.30 S ATOM 0 H CYS A 52 16.976 13.110 1.378 1.00 44.23 H new ATOM 0 HA CYS A 52 14.229 13.457 2.100 1.00 0.43 H new ATOM 0 HB2 CYS A 52 15.967 11.364 2.011 1.00 22.22 H new ATOM 0 HB3 CYS A 52 16.059 11.745 3.719 1.00 22.22 H new ATOM 765 N ALA A 53 14.435 13.905 4.729 1.00 14.24 N ATOM 766 CA ALA A 53 14.438 14.626 5.996 1.00 13.31 C ATOM 767 C ALA A 53 14.899 13.728 7.138 1.00 31.44 C ATOM 768 O ALA A 53 15.461 14.201 8.125 1.00 13.10 O ATOM 769 CB ALA A 53 13.053 15.186 6.288 1.00 22.12 C ATOM 0 H ALA A 53 13.686 13.219 4.636 1.00 14.24 H new ATOM 0 HA ALA A 53 15.143 15.454 5.913 1.00 13.31 H new ATOM 0 HB1 ALA A 53 13.070 15.722 7.237 1.00 22.12 H new ATOM 0 HB2 ALA A 53 12.761 15.869 5.491 1.00 22.12 H new ATOM 0 HB3 ALA A 53 12.335 14.368 6.346 1.00 22.12 H new ATOM 775 N ASN A 54 14.657 12.428 6.998 1.00 51.34 N ATOM 776 CA ASN A 54 15.047 11.463 8.019 1.00 13.22 C ATOM 777 C ASN A 54 16.433 10.895 7.730 1.00 11.12 C ATOM 778 O ASN A 54 16.802 9.839 8.242 1.00 75.10 O ATOM 779 CB ASN A 54 14.024 10.328 8.095 1.00 53.02 C ATOM 780 CG ASN A 54 13.806 9.840 9.514 1.00 72.31 C ATOM 781 OD1 ASN A 54 13.094 10.469 10.296 1.00 11.35 O ATOM 782 ND2 ASN A 54 14.420 8.712 9.852 1.00 31.12 N ATOM 0 H ASN A 54 14.193 12.019 6.187 1.00 51.34 H new ATOM 0 HA ASN A 54 15.079 11.980 8.978 1.00 13.22 H new ATOM 0 HB2 ASN A 54 13.075 10.670 7.681 1.00 53.02 H new ATOM 0 HB3 ASN A 54 14.361 9.497 7.476 1.00 53.02 H new ATOM 0 HD21 ASN A 54 14.311 8.334 10.793 1.00 31.12 H new ATOM 0 HD22 ASN A 54 15.001 8.224 9.171 1.00 31.12 H new ATOM 789 N GLY A 55 17.198 11.605 6.906 1.00 54.10 N ATOM 790 CA GLY A 55 18.535 11.157 6.563 1.00 35.43 C ATOM 791 C GLY A 55 19.216 12.074 5.567 1.00 23.34 C ATOM 792 O GLY A 55 20.439 12.206 5.571 1.00 3.43 O ATOM 0 H GLY A 55 16.915 12.483 6.470 1.00 54.10 H new ATOM 0 HA2 GLY A 55 19.138 11.097 7.469 1.00 35.43 H new ATOM 0 HA3 GLY A 55 18.482 10.150 6.148 1.00 35.43 H new ATOM 796 N GLY A 56 18.423 12.708 4.710 1.00 54.14 N ATOM 797 CA GLY A 56 18.975 13.608 3.714 1.00 61.20 C ATOM 798 C GLY A 56 19.942 12.912 2.777 1.00 43.12 C ATOM 799 O GLY A 56 21.119 13.265 2.714 1.00 41.00 O ATOM 0 H GLY A 56 17.408 12.615 4.687 1.00 54.14 H new ATOM 0 HA2 GLY A 56 18.163 14.045 3.134 1.00 61.20 H new ATOM 0 HA3 GLY A 56 19.487 14.430 4.215 1.00 61.20 H new ATOM 803 N GLY A 57 19.445 11.918 2.047 1.00 42.24 N ATOM 804 CA GLY A 57 20.288 11.186 1.119 1.00 33.35 C ATOM 805 C GLY A 57 19.680 9.859 0.708 1.00 41.31 C ATOM 806 O GLY A 57 18.466 9.752 0.537 1.00 33.50 O ATOM 0 H GLY A 57 18.474 11.607 2.081 1.00 42.24 H new ATOM 0 HA2 GLY A 57 20.460 11.794 0.231 1.00 33.35 H new ATOM 0 HA3 GLY A 57 21.261 11.010 1.578 1.00 33.35 H new ATOM 810 N ASP A 58 20.526 8.848 0.547 1.00 71.33 N ATOM 811 CA ASP A 58 20.065 7.522 0.152 1.00 64.43 C ATOM 812 C ASP A 58 19.159 6.920 1.221 1.00 11.31 C ATOM 813 O ASP A 58 19.629 6.478 2.270 1.00 71.54 O ATOM 814 CB ASP A 58 21.258 6.599 -0.101 1.00 64.53 C ATOM 815 CG ASP A 58 22.275 6.646 1.022 1.00 65.11 C ATOM 816 OD1 ASP A 58 22.966 7.678 1.154 1.00 2.12 O ATOM 817 OD2 ASP A 58 22.380 5.651 1.769 1.00 2.23 O ATOM 0 H ASP A 58 21.534 8.921 0.684 1.00 71.33 H new ATOM 0 HA ASP A 58 19.491 7.624 -0.769 1.00 64.43 H new ATOM 0 HB2 ASP A 58 20.903 5.576 -0.223 1.00 64.53 H new ATOM 0 HB3 ASP A 58 21.741 6.882 -1.036 1.00 64.53 H new ATOM 822 N ILE A 59 17.858 6.909 0.949 1.00 64.00 N ATOM 823 CA ILE A 59 16.887 6.362 1.888 1.00 53.21 C ATOM 824 C ILE A 59 15.809 5.565 1.161 1.00 13.14 C ATOM 825 O ILE A 59 14.901 6.121 0.543 1.00 13.34 O ATOM 826 CB ILE A 59 16.217 7.474 2.716 1.00 15.40 C ATOM 827 CG1 ILE A 59 17.265 8.470 3.217 1.00 62.32 C ATOM 828 CG2 ILE A 59 15.447 6.875 3.884 1.00 63.23 C ATOM 829 CD1 ILE A 59 18.099 7.943 4.364 1.00 62.15 C ATOM 0 H ILE A 59 17.453 7.273 0.086 1.00 64.00 H new ATOM 0 HA ILE A 59 17.434 5.700 2.559 1.00 53.21 H new ATOM 0 HB ILE A 59 15.513 8.007 2.077 1.00 15.40 H new ATOM 0 HG12 ILE A 59 17.925 8.737 2.391 1.00 62.32 H new ATOM 0 HG13 ILE A 59 16.763 9.385 3.533 1.00 62.32 H new ATOM 0 HG21 ILE A 59 14.979 7.674 4.459 1.00 63.23 H new ATOM 0 HG22 ILE A 59 14.678 6.202 3.506 1.00 63.23 H new ATOM 0 HG23 ILE A 59 16.132 6.319 4.525 1.00 63.23 H new ATOM 0 HD11 ILE A 59 18.821 8.701 4.668 1.00 62.15 H new ATOM 0 HD12 ILE A 59 17.449 7.702 5.206 1.00 62.15 H new ATOM 0 HD13 ILE A 59 18.629 7.045 4.046 1.00 62.15 H new ATOM 841 N PRO A 60 15.908 4.230 1.238 1.00 70.45 N ATOM 842 CA PRO A 60 14.948 3.327 0.595 1.00 24.41 C ATOM 843 C PRO A 60 13.580 3.361 1.267 1.00 1.23 C ATOM 844 O PRO A 60 13.473 3.619 2.467 1.00 52.40 O ATOM 845 CB PRO A 60 15.592 1.948 0.763 1.00 72.23 C ATOM 846 CG PRO A 60 16.464 2.080 1.963 1.00 1.31 C ATOM 847 CD PRO A 60 16.964 3.498 1.957 1.00 3.31 C ATOM 0 HA PRO A 60 14.761 3.603 -0.443 1.00 24.41 H new ATOM 0 HB2 PRO A 60 14.838 1.174 0.905 1.00 72.23 H new ATOM 0 HB3 PRO A 60 16.171 1.671 -0.118 1.00 72.23 H new ATOM 0 HG2 PRO A 60 15.907 1.866 2.875 1.00 1.31 H new ATOM 0 HG3 PRO A 60 17.293 1.374 1.923 1.00 1.31 H new ATOM 0 HD2 PRO A 60 17.100 3.880 2.969 1.00 3.31 H new ATOM 0 HD3 PRO A 60 17.926 3.582 1.452 1.00 3.31 H new ATOM 855 N LEU A 61 12.537 3.099 0.488 1.00 14.51 N ATOM 856 CA LEU A 61 11.174 3.100 1.009 1.00 52.14 C ATOM 857 C LEU A 61 11.071 2.243 2.266 1.00 32.11 C ATOM 858 O LEU A 61 10.176 2.434 3.088 1.00 32.23 O ATOM 859 CB LEU A 61 10.201 2.586 -0.054 1.00 32.01 C ATOM 860 CG LEU A 61 9.339 3.644 -0.743 1.00 11.40 C ATOM 861 CD1 LEU A 61 10.212 4.736 -1.342 1.00 14.53 C ATOM 862 CD2 LEU A 61 8.468 3.007 -1.816 1.00 12.13 C ATOM 0 H LEU A 61 12.608 2.883 -0.506 1.00 14.51 H new ATOM 0 HA LEU A 61 10.911 4.125 1.269 1.00 52.14 H new ATOM 0 HB2 LEU A 61 10.774 2.059 -0.817 1.00 32.01 H new ATOM 0 HB3 LEU A 61 9.540 1.854 0.411 1.00 32.01 H new ATOM 0 HG LEU A 61 8.687 4.097 0.004 1.00 11.40 H new ATOM 0 HD11 LEU A 61 9.581 5.480 -1.828 1.00 14.53 H new ATOM 0 HD12 LEU A 61 10.792 5.212 -0.552 1.00 14.53 H new ATOM 0 HD13 LEU A 61 10.889 4.299 -2.076 1.00 14.53 H new ATOM 0 HD21 LEU A 61 7.861 3.775 -2.296 1.00 12.13 H new ATOM 0 HD22 LEU A 61 9.102 2.527 -2.562 1.00 12.13 H new ATOM 0 HD23 LEU A 61 7.816 2.262 -1.360 1.00 12.13 H new ATOM 874 N GLY A 62 11.996 1.298 2.410 1.00 55.22 N ATOM 875 CA GLY A 62 11.992 0.427 3.571 1.00 41.43 C ATOM 876 C GLY A 62 12.507 1.120 4.817 1.00 51.23 C ATOM 877 O GLY A 62 12.005 0.889 5.916 1.00 33.31 O ATOM 0 H GLY A 62 12.747 1.120 1.744 1.00 55.22 H new ATOM 0 HA2 GLY A 62 10.978 0.070 3.750 1.00 41.43 H new ATOM 0 HA3 GLY A 62 12.607 -0.449 3.366 1.00 41.43 H new ATOM 881 N ALA A 63 13.513 1.972 4.646 1.00 71.44 N ATOM 882 CA ALA A 63 14.096 2.700 5.765 1.00 12.34 C ATOM 883 C ALA A 63 13.198 3.855 6.196 1.00 52.22 C ATOM 884 O ALA A 63 13.246 4.298 7.344 1.00 34.44 O ATOM 885 CB ALA A 63 15.480 3.214 5.398 1.00 51.14 C ATOM 0 H ALA A 63 13.941 2.175 3.742 1.00 71.44 H new ATOM 0 HA ALA A 63 14.188 2.012 6.605 1.00 12.34 H new ATOM 0 HB1 ALA A 63 15.903 3.756 6.244 1.00 51.14 H new ATOM 0 HB2 ALA A 63 16.126 2.373 5.146 1.00 51.14 H new ATOM 0 HB3 ALA A 63 15.404 3.882 4.540 1.00 51.14 H new ATOM 891 N LEU A 64 12.380 4.340 5.268 1.00 43.21 N ATOM 892 CA LEU A 64 11.471 5.445 5.551 1.00 0.33 C ATOM 893 C LEU A 64 10.135 4.930 6.077 1.00 41.01 C ATOM 894 O LEU A 64 9.181 5.694 6.231 1.00 64.34 O ATOM 895 CB LEU A 64 11.247 6.283 4.291 1.00 3.44 C ATOM 896 CG LEU A 64 12.114 7.536 4.156 1.00 71.12 C ATOM 897 CD1 LEU A 64 12.379 7.846 2.691 1.00 74.23 C ATOM 898 CD2 LEU A 64 11.450 8.721 4.842 1.00 73.21 C ATOM 0 H LEU A 64 12.328 3.985 4.313 1.00 43.21 H new ATOM 0 HA LEU A 64 11.927 6.070 6.319 1.00 0.33 H new ATOM 0 HB2 LEU A 64 11.421 5.649 3.421 1.00 3.44 H new ATOM 0 HB3 LEU A 64 10.200 6.585 4.261 1.00 3.44 H new ATOM 0 HG LEU A 64 13.070 7.348 4.645 1.00 71.12 H new ATOM 0 HD11 LEU A 64 12.997 8.740 2.614 1.00 74.23 H new ATOM 0 HD12 LEU A 64 12.898 7.006 2.229 1.00 74.23 H new ATOM 0 HD13 LEU A 64 11.432 8.014 2.178 1.00 74.23 H new ATOM 0 HD21 LEU A 64 12.081 9.603 4.736 1.00 73.21 H new ATOM 0 HD22 LEU A 64 10.480 8.911 4.382 1.00 73.21 H new ATOM 0 HD23 LEU A 64 11.313 8.499 5.900 1.00 73.21 H new ATOM 910 N ILE A 65 10.075 3.632 6.353 1.00 73.33 N ATOM 911 CA ILE A 65 8.857 3.016 6.864 1.00 32.35 C ATOM 912 C ILE A 65 8.480 3.591 8.226 1.00 61.43 C ATOM 913 O ILE A 65 9.125 3.302 9.234 1.00 0.41 O ATOM 914 CB ILE A 65 9.008 1.488 6.989 1.00 50.10 C ATOM 915 CG1 ILE A 65 9.117 0.850 5.603 1.00 71.23 C ATOM 916 CG2 ILE A 65 7.834 0.901 7.758 1.00 71.42 C ATOM 917 CD1 ILE A 65 9.392 -0.637 5.642 1.00 64.00 C ATOM 0 H ILE A 65 10.855 2.987 6.231 1.00 73.33 H new ATOM 0 HA ILE A 65 8.067 3.237 6.147 1.00 32.35 H new ATOM 0 HB ILE A 65 9.923 1.272 7.541 1.00 50.10 H new ATOM 0 HG12 ILE A 65 8.190 1.026 5.057 1.00 71.23 H new ATOM 0 HG13 ILE A 65 9.913 1.344 5.046 1.00 71.23 H new ATOM 0 HG21 ILE A 65 7.955 -0.179 7.838 1.00 71.42 H new ATOM 0 HG22 ILE A 65 7.798 1.337 8.756 1.00 71.42 H new ATOM 0 HG23 ILE A 65 6.906 1.124 7.231 1.00 71.42 H new ATOM 0 HD11 ILE A 65 9.457 -1.022 4.624 1.00 64.00 H new ATOM 0 HD12 ILE A 65 10.334 -0.819 6.159 1.00 64.00 H new ATOM 0 HD13 ILE A 65 8.584 -1.143 6.171 1.00 64.00 H new ATOM 929 N LYS A 66 7.430 4.405 8.248 1.00 62.41 N ATOM 930 CA LYS A 66 6.964 5.019 9.485 1.00 34.23 C ATOM 931 C LYS A 66 5.772 4.257 10.055 1.00 33.43 C ATOM 932 O LYS A 66 5.233 4.620 11.101 1.00 23.12 O ATOM 933 CB LYS A 66 6.579 6.479 9.240 1.00 15.52 C ATOM 934 CG LYS A 66 7.699 7.312 8.641 1.00 22.34 C ATOM 935 CD LYS A 66 7.168 8.325 7.641 1.00 22.31 C ATOM 936 CE LYS A 66 6.723 7.653 6.351 1.00 15.31 C ATOM 937 NZ LYS A 66 5.290 7.926 6.050 1.00 33.54 N ATOM 0 H LYS A 66 6.886 4.655 7.422 1.00 62.41 H new ATOM 0 HA LYS A 66 7.778 4.981 10.209 1.00 34.23 H new ATOM 0 HB2 LYS A 66 5.717 6.512 8.573 1.00 15.52 H new ATOM 0 HB3 LYS A 66 6.269 6.927 10.184 1.00 15.52 H new ATOM 0 HG2 LYS A 66 8.233 7.831 9.437 1.00 22.34 H new ATOM 0 HG3 LYS A 66 8.418 6.657 8.149 1.00 22.34 H new ATOM 0 HD2 LYS A 66 6.329 8.865 8.079 1.00 22.31 H new ATOM 0 HD3 LYS A 66 7.941 9.061 7.421 1.00 22.31 H new ATOM 0 HE2 LYS A 66 7.341 8.006 5.526 1.00 15.31 H new ATOM 0 HE3 LYS A 66 6.879 6.577 6.429 1.00 15.31 H new ATOM 0 HZ1 LYS A 66 5.025 7.451 5.164 1.00 33.54 H new ATOM 0 HZ2 LYS A 66 4.698 7.567 6.826 1.00 33.54 H new ATOM 0 HZ3 LYS A 66 5.145 8.951 5.950 1.00 33.54 H new ATOM 951 N ARG A 67 5.366 3.198 9.362 1.00 34.10 N ATOM 952 CA ARG A 67 4.238 2.385 9.800 1.00 74.30 C ATOM 953 C ARG A 67 4.710 1.220 10.665 1.00 65.11 C ATOM 954 O ARG A 67 3.911 0.391 11.099 1.00 45.22 O ATOM 955 CB ARG A 67 3.464 1.855 8.591 1.00 13.03 C ATOM 956 CG ARG A 67 2.065 1.367 8.930 1.00 32.43 C ATOM 957 CD ARG A 67 2.005 -0.152 8.995 1.00 43.50 C ATOM 958 NE ARG A 67 1.082 -0.620 10.025 1.00 11.40 N ATOM 959 CZ ARG A 67 0.907 -1.901 10.327 1.00 34.24 C ATOM 960 NH1 ARG A 67 1.589 -2.837 9.682 1.00 34.31 N ATOM 961 NH2 ARG A 67 0.048 -2.248 11.278 1.00 71.54 N ATOM 0 H ARG A 67 5.801 2.883 8.495 1.00 34.10 H new ATOM 0 HA ARG A 67 3.579 3.015 10.398 1.00 74.30 H new ATOM 0 HB2 ARG A 67 3.393 2.643 7.842 1.00 13.03 H new ATOM 0 HB3 ARG A 67 4.026 1.037 8.141 1.00 13.03 H new ATOM 0 HG2 ARG A 67 1.754 1.786 9.887 1.00 32.43 H new ATOM 0 HG3 ARG A 67 1.361 1.728 8.180 1.00 32.43 H new ATOM 0 HD2 ARG A 67 1.696 -0.544 8.026 1.00 43.50 H new ATOM 0 HD3 ARG A 67 3.001 -0.546 9.195 1.00 43.50 H new ATOM 0 HE ARG A 67 0.542 0.075 10.541 1.00 11.40 H new ATOM 0 HH11 ARG A 67 2.250 -2.574 8.951 1.00 34.31 H new ATOM 0 HH12 ARG A 67 1.452 -3.820 9.916 1.00 34.31 H new ATOM 0 HH21 ARG A 67 -0.478 -1.530 11.777 1.00 71.54 H new ATOM 0 HH22 ARG A 67 -0.086 -3.232 11.510 1.00 71.54 H new ATOM 975 N GLY A 68 6.016 1.164 10.911 1.00 20.20 N ATOM 976 CA GLY A 68 6.573 0.097 11.722 1.00 12.01 C ATOM 977 C GLY A 68 7.607 0.599 12.710 1.00 41.21 C ATOM 978 O GLY A 68 8.376 -0.185 13.266 1.00 43.24 O ATOM 0 H GLY A 68 6.698 1.838 10.563 1.00 20.20 H new ATOM 0 HA2 GLY A 68 5.769 -0.401 12.264 1.00 12.01 H new ATOM 0 HA3 GLY A 68 7.029 -0.649 11.072 1.00 12.01 H new TER 982 GLY A 68