USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 512 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 65 SER OG : rot -63:sc= 2.37 USER MOD Set 1.2: A 67 SER OG : rot 112:sc= 1.2 USER MOD Set 2.1: A 33 GLN : amide:sc= -0.0811 K(o=0.24,f=-6.3!) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 164:sc= 0.326 (180deg=0.21) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.547 K(o=1,f=-3.4) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.46 K(o=1,f=-2.6!) USER MOD Set 4.1: A 8 GLN : amide:sc= 0.847 X(o=0.92,f=0.48) USER MOD Set 4.2: A 12 CYS SG : rot 180:sc= 0.0695 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0654) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.00888 (180deg=-1.73) USER MOD Single : A 3 GLN : amide:sc= 0.594 K(o=0.59,f=-7.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.8) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.19 K(o=1.2,f=-0.17) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 171:sc= -0.0387 (180deg=-0.204) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 2.76 K(o=2.8,f=-5.3!) USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0.0628 (180deg=0.0425) USER MOD Single : A 41 GLN : amide:sc= 0.895 K(o=0.89,f=-0.051) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= 0.527 (180deg=0.241) USER MOD Single : A 47 SER OG : rot 105:sc= 1.16 USER MOD Single : A 51 SER OG : rot 58:sc= 1.15 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 0.0915 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 2.04 K(o=2,f=-11!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0102 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.283 17.355 -0.688 1.00 0.00 N ATOM 2 CA MET A 1 4.173 17.273 -1.832 1.00 0.00 C ATOM 3 C MET A 1 5.320 16.283 -1.556 1.00 0.00 C ATOM 4 O MET A 1 5.640 16.027 -0.388 1.00 0.00 O ATOM 5 CB MET A 1 4.697 18.678 -2.166 1.00 0.00 C ATOM 6 CG MET A 1 3.609 19.581 -2.752 1.00 0.00 C ATOM 7 SD MET A 1 4.190 21.236 -3.220 1.00 0.00 S ATOM 8 CE MET A 1 4.483 21.966 -1.586 1.00 0.00 C ATOM 0 H1 MET A 1 2.296 17.337 -1.014 1.00 0.00 H new ATOM 0 H2 MET A 1 3.454 16.546 -0.057 1.00 0.00 H new ATOM 0 H3 MET A 1 3.461 18.240 -0.172 1.00 0.00 H new ATOM 0 HA MET A 1 3.628 16.895 -2.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.099 19.137 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.520 18.597 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.183 19.096 -3.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.805 19.683 -2.023 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.707 23.027 -1.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.593 21.846 -0.969 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.325 21.465 -1.109 1.00 0.00 H new ATOM 20 N PRO A 2 5.943 15.694 -2.595 1.00 0.00 N ATOM 21 CA PRO A 2 6.870 14.578 -2.439 1.00 0.00 C ATOM 22 C PRO A 2 8.299 15.057 -2.124 1.00 0.00 C ATOM 23 O PRO A 2 9.246 14.732 -2.840 1.00 0.00 O ATOM 24 CB PRO A 2 6.748 13.804 -3.758 1.00 0.00 C ATOM 25 CG PRO A 2 6.547 14.922 -4.778 1.00 0.00 C ATOM 26 CD PRO A 2 5.686 15.928 -4.013 1.00 0.00 C ATOM 0 HA PRO A 2 6.632 13.940 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.642 13.218 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.908 13.110 -3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.495 15.358 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.047 14.564 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.943 16.950 -4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.630 15.791 -4.244 1.00 0.00 H new ATOM 34 N GLN A 3 8.479 15.812 -1.031 1.00 0.00 N ATOM 35 CA GLN A 3 9.808 16.142 -0.506 1.00 0.00 C ATOM 36 C GLN A 3 10.573 14.879 -0.077 1.00 0.00 C ATOM 37 O GLN A 3 11.802 14.866 -0.052 1.00 0.00 O ATOM 38 CB GLN A 3 9.700 17.112 0.682 1.00 0.00 C ATOM 39 CG GLN A 3 9.504 18.570 0.249 1.00 0.00 C ATOM 40 CD GLN A 3 8.162 18.830 -0.433 1.00 0.00 C ATOM 41 OE1 GLN A 3 7.114 18.486 0.098 1.00 0.00 O ATOM 42 NE2 GLN A 3 8.165 19.438 -1.612 1.00 0.00 N ATOM 0 H GLN A 3 7.711 16.208 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 3 10.363 16.624 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.865 16.811 1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.603 17.037 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.588 19.215 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.308 18.849 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.048 19.718 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.284 19.626 -2.091 1.00 0.00 H new ATOM 51 N LYS A 4 9.831 13.819 0.250 1.00 0.00 N ATOM 52 CA LYS A 4 10.275 12.455 0.468 1.00 0.00 C ATOM 53 C LYS A 4 9.116 11.565 0.000 1.00 0.00 C ATOM 54 O LYS A 4 8.127 12.074 -0.530 1.00 0.00 O ATOM 55 CB LYS A 4 10.654 12.265 1.953 1.00 0.00 C ATOM 56 CG LYS A 4 11.672 11.142 2.225 1.00 0.00 C ATOM 57 CD LYS A 4 13.063 11.447 1.647 1.00 0.00 C ATOM 58 CE LYS A 4 14.049 10.346 2.041 1.00 0.00 C ATOM 59 NZ LYS A 4 15.393 10.606 1.494 1.00 0.00 N ATOM 0 H LYS A 4 8.823 13.908 0.378 1.00 0.00 H new ATOM 0 HA LYS A 4 11.174 12.194 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.060 13.203 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.747 12.058 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.756 10.987 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.302 10.211 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.005 11.523 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.415 12.410 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.104 10.277 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.687 9.384 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.038 9.841 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.343 10.648 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.748 11.512 1.860 1.00 0.00 H new ATOM 73 N ASP A 5 9.204 10.249 0.199 1.00 0.00 N ATOM 74 CA ASP A 5 8.102 9.334 -0.021 1.00 0.00 C ATOM 75 C ASP A 5 7.962 8.428 1.212 1.00 0.00 C ATOM 76 O ASP A 5 8.600 7.378 1.258 1.00 0.00 O ATOM 77 CB ASP A 5 8.270 8.571 -1.344 1.00 0.00 C ATOM 78 CG ASP A 5 6.986 7.837 -1.728 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.254 7.370 -0.824 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.688 7.783 -2.939 1.00 0.00 O ATOM 0 H ASP A 5 10.056 9.791 0.521 1.00 0.00 H new ATOM 0 HA ASP A 5 7.166 9.881 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.544 9.268 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.087 7.855 -1.252 1.00 0.00 H new ATOM 85 N PRO A 6 7.152 8.812 2.220 1.00 0.00 N ATOM 86 CA PRO A 6 7.028 8.092 3.492 1.00 0.00 C ATOM 87 C PRO A 6 6.579 6.639 3.312 1.00 0.00 C ATOM 88 O PRO A 6 6.921 5.751 4.096 1.00 0.00 O ATOM 89 CB PRO A 6 5.965 8.853 4.292 1.00 0.00 C ATOM 90 CG PRO A 6 5.908 10.230 3.640 1.00 0.00 C ATOM 91 CD PRO A 6 6.197 9.905 2.184 1.00 0.00 C ATOM 0 HA PRO A 6 7.997 8.051 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.998 8.351 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.236 8.924 5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.933 10.701 3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.648 10.911 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.288 9.616 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.607 10.769 1.662 1.00 0.00 H new ATOM 99 N CYS A 7 5.785 6.412 2.265 1.00 0.00 N ATOM 100 CA CYS A 7 5.111 5.171 1.993 1.00 0.00 C ATOM 101 C CYS A 7 5.907 4.267 1.063 1.00 0.00 C ATOM 102 O CYS A 7 5.567 3.091 0.933 1.00 0.00 O ATOM 103 CB CYS A 7 3.737 5.495 1.415 1.00 0.00 C ATOM 104 SG CYS A 7 2.527 6.080 2.645 1.00 0.00 S ATOM 0 H CYS A 7 5.595 7.127 1.562 1.00 0.00 H new ATOM 0 HA CYS A 7 5.005 4.612 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.850 6.256 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.341 4.604 0.928 1.00 0.00 H new ATOM 106 N GLN A 8 6.985 4.764 0.448 1.00 0.00 N ATOM 107 CA GLN A 8 7.819 3.968 -0.424 1.00 0.00 C ATOM 108 C GLN A 8 8.468 2.813 0.354 1.00 0.00 C ATOM 109 O GLN A 8 8.712 1.756 -0.227 1.00 0.00 O ATOM 110 CB GLN A 8 8.803 4.916 -1.112 1.00 0.00 C ATOM 111 CG GLN A 8 9.905 4.232 -1.905 1.00 0.00 C ATOM 112 CD GLN A 8 9.397 3.447 -3.114 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.228 3.997 -4.194 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.141 2.158 -2.955 1.00 0.00 N ATOM 0 H GLN A 8 7.294 5.731 0.548 1.00 0.00 H new ATOM 0 HA GLN A 8 7.241 3.473 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.246 5.570 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.262 5.552 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.616 4.985 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.448 3.555 -1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.288 1.717 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.797 1.606 -3.740 1.00 0.00 H new ATOM 123 N LYS A 9 8.663 2.974 1.668 1.00 0.00 N ATOM 124 CA LYS A 9 9.056 1.896 2.566 1.00 0.00 C ATOM 125 C LYS A 9 8.047 0.751 2.479 1.00 0.00 C ATOM 126 O LYS A 9 8.411 -0.387 2.205 1.00 0.00 O ATOM 127 CB LYS A 9 9.156 2.454 3.993 1.00 0.00 C ATOM 128 CG LYS A 9 9.737 1.428 4.976 1.00 0.00 C ATOM 129 CD LYS A 9 9.832 2.013 6.388 1.00 0.00 C ATOM 130 CE LYS A 9 10.357 0.951 7.355 1.00 0.00 C ATOM 131 NZ LYS A 9 10.437 1.468 8.732 1.00 0.00 N ATOM 0 H LYS A 9 8.549 3.872 2.138 1.00 0.00 H new ATOM 0 HA LYS A 9 10.029 1.497 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.782 3.346 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.166 2.760 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.110 0.536 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.726 1.117 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.495 2.878 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.852 2.362 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.703 0.079 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.344 0.619 7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.797 0.723 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.080 2.285 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.491 1.762 9.048 1.00 0.00 H new ATOM 145 N GLN A 10 6.768 1.065 2.681 1.00 0.00 N ATOM 146 CA GLN A 10 5.692 0.093 2.671 1.00 0.00 C ATOM 147 C GLN A 10 5.573 -0.528 1.275 1.00 0.00 C ATOM 148 O GLN A 10 5.565 -1.747 1.178 1.00 0.00 O ATOM 149 CB GLN A 10 4.388 0.721 3.196 1.00 0.00 C ATOM 150 CG GLN A 10 4.375 0.898 4.727 1.00 0.00 C ATOM 151 CD GLN A 10 5.484 1.812 5.255 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.444 1.351 5.858 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.399 3.110 4.994 1.00 0.00 N ATOM 0 H GLN A 10 6.452 2.019 2.858 1.00 0.00 H new ATOM 0 HA GLN A 10 5.914 -0.725 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.243 1.692 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.546 0.095 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.409 1.304 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.470 -0.081 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.592 3.477 4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.141 3.741 5.297 1.00 0.00 H new ATOM 162 N ALA A 11 5.580 0.265 0.195 1.00 0.00 N ATOM 163 CA ALA A 11 5.656 -0.210 -1.192 1.00 0.00 C ATOM 164 C ALA A 11 6.807 -1.191 -1.425 1.00 0.00 C ATOM 165 O ALA A 11 6.633 -2.190 -2.125 1.00 0.00 O ATOM 166 CB ALA A 11 5.776 0.982 -2.144 1.00 0.00 C ATOM 0 H ALA A 11 5.532 1.281 0.264 1.00 0.00 H new ATOM 0 HA ALA A 11 4.734 -0.756 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.832 0.623 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.904 1.626 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.678 1.547 -1.908 1.00 0.00 H new ATOM 172 N CYS A 12 7.969 -0.935 -0.823 1.00 0.00 N ATOM 173 CA CYS A 12 9.060 -1.896 -0.852 1.00 0.00 C ATOM 174 C CYS A 12 8.651 -3.199 -0.156 1.00 0.00 C ATOM 175 O CYS A 12 8.914 -4.276 -0.688 1.00 0.00 O ATOM 176 CB CYS A 12 10.344 -1.324 -0.247 1.00 0.00 C ATOM 177 SG CYS A 12 11.094 -0.129 -1.386 1.00 0.00 S ATOM 0 H CYS A 12 8.173 -0.075 -0.314 1.00 0.00 H new ATOM 0 HA CYS A 12 9.274 -2.118 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.123 -0.841 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.047 -2.130 -0.039 1.00 0.00 H new ATOM 0 HG CYS A 12 12.181 0.350 -0.858 1.00 0.00 H new ATOM 182 N GLU A 13 7.977 -3.126 0.996 1.00 0.00 N ATOM 183 CA GLU A 13 7.497 -4.305 1.701 1.00 0.00 C ATOM 184 C GLU A 13 6.439 -5.078 0.918 1.00 0.00 C ATOM 185 O GLU A 13 6.410 -6.295 1.061 1.00 0.00 O ATOM 186 CB GLU A 13 6.974 -4.003 3.118 1.00 0.00 C ATOM 187 CG GLU A 13 7.978 -3.327 4.058 1.00 0.00 C ATOM 188 CD GLU A 13 9.333 -4.035 4.081 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.389 -5.137 4.669 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.283 -3.481 3.487 1.00 0.00 O ATOM 0 H GLU A 13 7.752 -2.246 1.461 1.00 0.00 H new ATOM 0 HA GLU A 13 8.382 -4.934 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.094 -3.365 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.648 -4.938 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.119 -2.291 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.567 -3.305 5.067 1.00 0.00 H new ATOM 197 N ILE A 14 5.611 -4.450 0.068 1.00 0.00 N ATOM 198 CA ILE A 14 4.758 -5.183 -0.852 1.00 0.00 C ATOM 199 C ILE A 14 5.622 -6.077 -1.730 1.00 0.00 C ATOM 200 O ILE A 14 5.339 -7.272 -1.833 1.00 0.00 O ATOM 201 CB ILE A 14 3.892 -4.212 -1.680 1.00 0.00 C ATOM 202 CG1 ILE A 14 2.691 -3.671 -0.900 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.328 -4.867 -2.956 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.954 -2.722 0.248 1.00 0.00 C ATOM 0 H ILE A 14 5.522 -3.436 0.007 1.00 0.00 H new ATOM 0 HA ILE A 14 4.069 -5.818 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 14 4.574 -3.400 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.035 -3.164 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.137 -4.524 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.726 -4.141 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.151 -5.204 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.708 -5.721 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.007 -2.427 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.574 -3.218 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.470 -1.837 -0.123 1.00 0.00 H new ATOM 216 N GLN A 15 6.668 -5.511 -2.344 1.00 0.00 N ATOM 217 CA GLN A 15 7.567 -6.284 -3.176 1.00 0.00 C ATOM 218 C GLN A 15 8.201 -7.392 -2.351 1.00 0.00 C ATOM 219 O GLN A 15 8.065 -8.558 -2.706 1.00 0.00 O ATOM 220 CB GLN A 15 8.610 -5.391 -3.874 1.00 0.00 C ATOM 221 CG GLN A 15 8.058 -4.764 -5.163 1.00 0.00 C ATOM 222 CD GLN A 15 7.699 -5.799 -6.239 1.00 0.00 C ATOM 223 OE1 GLN A 15 8.065 -6.969 -6.163 1.00 0.00 O ATOM 224 NE2 GLN A 15 6.957 -5.391 -7.259 1.00 0.00 N ATOM 0 H GLN A 15 6.904 -4.521 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 15 6.995 -6.749 -3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.926 -4.601 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.495 -5.982 -4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.171 -4.178 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.797 -4.072 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.657 -4.418 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.686 -6.050 -7.988 1.00 0.00 H new ATOM 233 N LYS A 16 8.842 -7.078 -1.224 1.00 0.00 N ATOM 234 CA LYS A 16 9.581 -8.123 -0.524 1.00 0.00 C ATOM 235 C LYS A 16 8.641 -9.164 0.075 1.00 0.00 C ATOM 236 O LYS A 16 9.016 -10.331 0.125 1.00 0.00 O ATOM 237 CB LYS A 16 10.480 -7.561 0.589 1.00 0.00 C ATOM 238 CG LYS A 16 11.388 -6.370 0.239 1.00 0.00 C ATOM 239 CD LYS A 16 12.058 -6.446 -1.139 1.00 0.00 C ATOM 240 CE LYS A 16 12.884 -5.181 -1.365 1.00 0.00 C ATOM 241 NZ LYS A 16 13.500 -5.178 -2.702 1.00 0.00 N ATOM 0 H LYS A 16 8.865 -6.153 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 16 10.215 -8.594 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.840 -7.262 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.113 -8.371 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.797 -5.456 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.165 -6.289 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.697 -7.327 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.303 -6.546 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.247 -4.303 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.661 -5.110 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.055 -4.307 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.125 -6.003 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.756 -5.221 -3.427 1.00 0.00 H new ATOM 255 N CYS A 17 7.421 -8.782 0.473 1.00 0.00 N ATOM 256 CA CYS A 17 6.383 -9.736 0.823 1.00 0.00 C ATOM 257 C CYS A 17 6.164 -10.668 -0.356 1.00 0.00 C ATOM 258 O CYS A 17 6.146 -11.880 -0.170 1.00 0.00 O ATOM 259 CB CYS A 17 5.075 -9.029 1.185 1.00 0.00 C ATOM 260 SG CYS A 17 3.641 -10.126 1.401 1.00 0.00 S ATOM 0 H CYS A 17 7.135 -7.807 0.558 1.00 0.00 H new ATOM 0 HA CYS A 17 6.702 -10.302 1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.226 -8.468 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.844 -8.304 0.405 1.00 0.00 H new ATOM 262 N LEU A 18 6.004 -10.116 -1.560 1.00 0.00 N ATOM 263 CA LEU A 18 5.813 -10.893 -2.766 1.00 0.00 C ATOM 264 C LEU A 18 6.981 -11.852 -2.975 1.00 0.00 C ATOM 265 O LEU A 18 6.743 -13.031 -3.223 1.00 0.00 O ATOM 266 CB LEU A 18 5.585 -9.967 -3.982 1.00 0.00 C ATOM 267 CG LEU A 18 4.163 -10.133 -4.538 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.233 -9.093 -3.905 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.126 -9.920 -6.058 1.00 0.00 C ATOM 0 H LEU A 18 6.005 -9.108 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 18 4.915 -11.501 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.747 -8.929 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.313 -10.196 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 18 3.840 -11.147 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.226 -9.215 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.215 -9.231 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.596 -8.092 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.105 -10.045 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.473 -8.914 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.774 -10.650 -6.544 1.00 0.00 H new ATOM 281 N GLN A 19 8.224 -11.380 -2.851 1.00 0.00 N ATOM 282 CA GLN A 19 9.415 -12.220 -2.915 1.00 0.00 C ATOM 283 C GLN A 19 9.362 -13.336 -1.869 1.00 0.00 C ATOM 284 O GLN A 19 9.555 -14.499 -2.216 1.00 0.00 O ATOM 285 CB GLN A 19 10.695 -11.366 -2.846 1.00 0.00 C ATOM 286 CG GLN A 19 11.063 -10.641 -4.161 1.00 0.00 C ATOM 287 CD GLN A 19 10.347 -9.310 -4.444 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.834 -8.265 -4.022 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.236 -9.289 -5.185 1.00 0.00 N ATOM 0 H GLN A 19 8.430 -10.392 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 19 9.440 -12.722 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.576 -10.622 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.527 -12.007 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.137 -10.455 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.860 -11.319 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.838 -10.162 -5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.786 -8.400 -5.404 1.00 0.00 H new ATOM 298 N ALA A 20 9.009 -13.010 -0.624 1.00 0.00 N ATOM 299 CA ALA A 20 8.829 -13.974 0.453 1.00 0.00 C ATOM 300 C ALA A 20 7.651 -14.936 0.225 1.00 0.00 C ATOM 301 O ALA A 20 7.562 -15.945 0.923 1.00 0.00 O ATOM 302 CB ALA A 20 8.667 -13.221 1.779 1.00 0.00 C ATOM 0 H ALA A 20 8.838 -12.047 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 20 9.720 -14.602 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.532 -13.937 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.558 -12.622 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.796 -12.568 1.723 1.00 0.00 H new ATOM 308 N ASN A 21 6.753 -14.658 -0.733 1.00 0.00 N ATOM 309 CA ASN A 21 5.521 -15.407 -0.962 1.00 0.00 C ATOM 310 C ASN A 21 5.450 -15.971 -2.384 1.00 0.00 C ATOM 311 O ASN A 21 4.408 -16.504 -2.754 1.00 0.00 O ATOM 312 CB ASN A 21 4.311 -14.534 -0.606 1.00 0.00 C ATOM 313 CG ASN A 21 4.139 -14.457 0.908 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.548 -15.336 1.519 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.668 -13.425 1.541 1.00 0.00 N ATOM 0 H ASN A 21 6.873 -13.883 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 21 5.510 -16.277 -0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.444 -13.532 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.410 -14.947 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.587 -13.353 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.158 -12.701 1.016 1.00 0.00 H new ATOM 322 N SER A 22 6.526 -15.886 -3.186 1.00 0.00 N ATOM 323 CA SER A 22 6.561 -16.396 -4.562 1.00 0.00 C ATOM 324 C SER A 22 5.471 -15.745 -5.411 1.00 0.00 C ATOM 325 O SER A 22 4.805 -16.380 -6.227 1.00 0.00 O ATOM 326 CB SER A 22 6.481 -17.921 -4.597 1.00 0.00 C ATOM 327 OG SER A 22 7.450 -18.482 -3.735 1.00 0.00 O ATOM 0 H SER A 22 7.403 -15.456 -2.891 1.00 0.00 H new ATOM 0 HA SER A 22 7.522 -16.123 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.485 -18.247 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.640 -18.277 -5.615 1.00 0.00 H new ATOM 0 HG SER A 22 7.388 -19.460 -3.765 1.00 0.00 H new ATOM 333 N TYR A 23 5.309 -14.446 -5.181 1.00 0.00 N ATOM 334 CA TYR A 23 4.535 -13.499 -5.952 1.00 0.00 C ATOM 335 C TYR A 23 3.026 -13.657 -5.814 1.00 0.00 C ATOM 336 O TYR A 23 2.247 -13.033 -6.536 1.00 0.00 O ATOM 337 CB TYR A 23 5.111 -13.438 -7.368 1.00 0.00 C ATOM 338 CG TYR A 23 6.628 -13.298 -7.385 1.00 0.00 C ATOM 339 CD1 TYR A 23 7.261 -12.511 -6.409 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.424 -14.053 -8.266 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.642 -12.407 -6.332 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.828 -13.998 -8.173 1.00 0.00 C ATOM 343 CZ TYR A 23 9.449 -13.156 -7.216 1.00 0.00 C ATOM 344 OH TYR A 23 10.806 -13.093 -7.105 1.00 0.00 O ATOM 0 H TYR A 23 5.757 -13.998 -4.381 1.00 0.00 H new ATOM 0 HA TYR A 23 4.644 -12.499 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.828 -14.341 -7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.667 -12.596 -7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.654 -11.971 -5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.957 -14.676 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.098 -11.757 -5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.435 -14.600 -8.834 1.00 0.00 H new ATOM 0 HH TYR A 23 11.217 -13.666 -7.785 1.00 0.00 H new ATOM 354 N MET A 24 2.623 -14.422 -4.802 1.00 0.00 N ATOM 355 CA MET A 24 1.261 -14.550 -4.348 1.00 0.00 C ATOM 356 C MET A 24 0.818 -13.256 -3.672 1.00 0.00 C ATOM 357 O MET A 24 0.805 -13.140 -2.447 1.00 0.00 O ATOM 358 CB MET A 24 1.112 -15.781 -3.440 1.00 0.00 C ATOM 359 CG MET A 24 1.514 -17.059 -4.181 1.00 0.00 C ATOM 360 SD MET A 24 0.962 -18.594 -3.387 1.00 0.00 S ATOM 361 CE MET A 24 2.131 -18.675 -2.006 1.00 0.00 C ATOM 0 H MET A 24 3.274 -14.990 -4.259 1.00 0.00 H new ATOM 0 HA MET A 24 0.600 -14.711 -5.200 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.733 -15.660 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.080 -15.863 -3.099 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.108 -17.021 -5.192 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.600 -17.083 -4.275 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.834 -19.471 -1.324 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.131 -18.879 -2.388 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.133 -17.723 -1.474 1.00 0.00 H new ATOM 371 N GLU A 25 0.402 -12.280 -4.485 1.00 0.00 N ATOM 372 CA GLU A 25 -0.220 -11.042 -4.033 1.00 0.00 C ATOM 373 C GLU A 25 -1.418 -11.313 -3.111 1.00 0.00 C ATOM 374 O GLU A 25 -1.730 -10.472 -2.272 1.00 0.00 O ATOM 375 CB GLU A 25 -0.649 -10.229 -5.268 1.00 0.00 C ATOM 376 CG GLU A 25 -0.758 -8.739 -4.938 1.00 0.00 C ATOM 377 CD GLU A 25 -1.707 -7.997 -5.876 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.309 -7.775 -7.040 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.819 -7.664 -5.403 1.00 0.00 O ATOM 0 H GLU A 25 0.493 -12.335 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 25 0.502 -10.473 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.073 -10.374 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.609 -10.595 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.104 -8.623 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.231 -8.285 -4.995 1.00 0.00 H new ATOM 386 N SER A 26 -2.047 -12.488 -3.212 1.00 0.00 N ATOM 387 CA SER A 26 -3.061 -13.010 -2.304 1.00 0.00 C ATOM 388 C SER A 26 -2.606 -12.979 -0.839 1.00 0.00 C ATOM 389 O SER A 26 -3.393 -12.642 0.040 1.00 0.00 O ATOM 390 CB SER A 26 -3.363 -14.455 -2.719 1.00 0.00 C ATOM 391 OG SER A 26 -3.530 -14.549 -4.123 1.00 0.00 O ATOM 0 H SER A 26 -1.847 -13.134 -3.976 1.00 0.00 H new ATOM 0 HA SER A 26 -3.948 -12.381 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.550 -15.108 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.266 -14.802 -2.216 1.00 0.00 H new ATOM 0 HG SER A 26 -3.720 -15.479 -4.368 1.00 0.00 H new ATOM 397 N LYS A 27 -1.336 -13.308 -0.574 1.00 0.00 N ATOM 398 CA LYS A 27 -0.721 -13.225 0.742 1.00 0.00 C ATOM 399 C LYS A 27 -0.505 -11.753 1.090 1.00 0.00 C ATOM 400 O LYS A 27 -0.878 -11.280 2.163 1.00 0.00 O ATOM 401 CB LYS A 27 0.620 -13.989 0.739 1.00 0.00 C ATOM 402 CG LYS A 27 0.511 -15.480 0.357 1.00 0.00 C ATOM 403 CD LYS A 27 0.352 -16.388 1.579 1.00 0.00 C ATOM 404 CE LYS A 27 0.126 -17.831 1.124 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.004 -18.745 2.271 1.00 0.00 N ATOM 0 H LYS A 27 -0.697 -13.647 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.370 -13.679 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.301 -13.498 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.068 -13.913 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.341 -15.620 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.401 -15.776 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.242 -16.329 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.488 -16.052 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.774 -17.884 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.958 -18.150 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.156 -19.715 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.865 -18.712 2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.813 -18.455 2.856 1.00 0.00 H new ATOM 419 N CYS A 28 0.078 -11.011 0.145 1.00 0.00 N ATOM 420 CA CYS A 28 0.496 -9.629 0.302 1.00 0.00 C ATOM 421 C CYS A 28 -0.671 -8.632 0.321 1.00 0.00 C ATOM 422 O CYS A 28 -0.429 -7.445 0.523 1.00 0.00 O ATOM 423 CB CYS A 28 1.559 -9.399 -0.767 1.00 0.00 C ATOM 424 SG CYS A 28 2.956 -10.531 -0.493 1.00 0.00 S ATOM 0 H CYS A 28 0.277 -11.378 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 28 0.929 -9.442 1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.134 -9.563 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.904 -8.365 -0.735 1.00 0.00 H new ATOM 426 N GLN A 29 -1.930 -9.082 0.226 1.00 0.00 N ATOM 427 CA GLN A 29 -3.104 -8.232 0.467 1.00 0.00 C ATOM 428 C GLN A 29 -3.007 -7.522 1.826 1.00 0.00 C ATOM 429 O GLN A 29 -3.443 -6.372 1.938 1.00 0.00 O ATOM 430 CB GLN A 29 -4.416 -9.038 0.424 1.00 0.00 C ATOM 431 CG GLN A 29 -4.737 -9.710 -0.915 1.00 0.00 C ATOM 432 CD GLN A 29 -4.796 -8.735 -2.087 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.789 -8.048 -2.291 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.737 -8.679 -2.882 1.00 0.00 N ATOM 0 H GLN A 29 -2.163 -10.044 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.116 -7.493 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.374 -9.807 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.239 -8.372 0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.982 -10.469 -1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.694 -10.226 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.923 -9.262 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.736 -8.053 -3.687 1.00 0.00 H new ATOM 443 N ALA A 30 -2.411 -8.185 2.830 1.00 0.00 N ATOM 444 CA ALA A 30 -2.138 -7.633 4.151 1.00 0.00 C ATOM 445 C ALA A 30 -1.245 -6.403 4.065 1.00 0.00 C ATOM 446 O ALA A 30 -1.565 -5.346 4.601 1.00 0.00 O ATOM 447 CB ALA A 30 -1.425 -8.685 5.010 1.00 0.00 C ATOM 0 H ALA A 30 -2.099 -9.151 2.733 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.092 -7.350 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.221 -8.271 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.060 -9.565 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.486 -8.967 4.534 1.00 0.00 H new ATOM 453 N VAL A 31 -0.091 -6.560 3.422 1.00 0.00 N ATOM 454 CA VAL A 31 0.925 -5.537 3.381 1.00 0.00 C ATOM 455 C VAL A 31 0.518 -4.424 2.408 1.00 0.00 C ATOM 456 O VAL A 31 0.808 -3.261 2.672 1.00 0.00 O ATOM 457 CB VAL A 31 2.274 -6.206 3.098 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.402 -6.733 1.679 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.422 -5.264 3.387 1.00 0.00 C ATOM 0 H VAL A 31 0.158 -7.409 2.915 1.00 0.00 H new ATOM 0 HA VAL A 31 1.033 -5.028 4.339 1.00 0.00 H new ATOM 0 HB VAL A 31 2.319 -7.063 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.381 -7.194 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.625 -7.475 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.292 -5.909 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.366 -5.766 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.334 -4.379 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.394 -4.967 4.435 1.00 0.00 H new ATOM 469 N ILE A 32 -0.228 -4.742 1.340 1.00 0.00 N ATOM 470 CA ILE A 32 -0.871 -3.757 0.491 1.00 0.00 C ATOM 471 C ILE A 32 -1.807 -2.946 1.391 1.00 0.00 C ATOM 472 O ILE A 32 -1.727 -1.722 1.404 1.00 0.00 O ATOM 473 CB ILE A 32 -1.546 -4.455 -0.713 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.486 -5.114 -1.628 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.362 -3.484 -1.575 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.062 -6.152 -2.588 1.00 0.00 C ATOM 0 H ILE A 32 -0.397 -5.704 1.047 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.169 -3.060 0.033 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.215 -5.203 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.016 -4.337 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.273 -5.589 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.814 -4.026 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.146 -3.030 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.707 -2.704 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.260 -6.570 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.539 -6.950 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.800 -5.679 -3.236 1.00 0.00 H new ATOM 488 N GLN A 33 -2.597 -3.593 2.254 1.00 0.00 N ATOM 489 CA GLN A 33 -3.407 -2.885 3.228 1.00 0.00 C ATOM 490 C GLN A 33 -2.587 -1.985 4.145 1.00 0.00 C ATOM 491 O GLN A 33 -3.103 -0.969 4.615 1.00 0.00 O ATOM 492 CB GLN A 33 -4.206 -3.880 4.081 1.00 0.00 C ATOM 493 CG GLN A 33 -5.680 -3.549 3.954 1.00 0.00 C ATOM 494 CD GLN A 33 -6.240 -3.708 2.529 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.141 -2.974 2.130 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.733 -4.637 1.722 1.00 0.00 N ATOM 0 H GLN A 33 -2.687 -4.608 2.291 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.081 -2.246 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.017 -4.901 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.893 -3.821 5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.245 -4.192 4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.840 -2.522 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.985 -5.247 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.092 -4.739 0.773 1.00 0.00 H new ATOM 505 N GLU A 34 -1.315 -2.306 4.388 1.00 0.00 N ATOM 506 CA GLU A 34 -0.498 -1.422 5.173 1.00 0.00 C ATOM 507 C GLU A 34 -0.054 -0.200 4.341 1.00 0.00 C ATOM 508 O GLU A 34 0.078 0.892 4.897 1.00 0.00 O ATOM 509 CB GLU A 34 0.649 -2.213 5.817 1.00 0.00 C ATOM 510 CG GLU A 34 1.652 -1.268 6.463 1.00 0.00 C ATOM 511 CD GLU A 34 2.611 -1.997 7.399 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.544 -2.640 6.871 1.00 0.00 O ATOM 513 OE2 GLU A 34 2.387 -1.898 8.627 1.00 0.00 O ATOM 0 H GLU A 34 -0.851 -3.152 4.056 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.075 -1.003 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.251 -2.897 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.148 -2.821 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.222 -0.759 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.117 -0.499 7.021 1.00 0.00 H new ATOM 520 N LEU A 35 0.106 -0.322 3.013 1.00 0.00 N ATOM 521 CA LEU A 35 0.283 0.843 2.158 1.00 0.00 C ATOM 522 C LEU A 35 -0.985 1.693 2.198 1.00 0.00 C ATOM 523 O LEU A 35 -0.876 2.904 2.059 1.00 0.00 O ATOM 524 CB LEU A 35 0.620 0.488 0.697 1.00 0.00 C ATOM 525 CG LEU A 35 2.029 0.737 0.187 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.066 0.434 -1.316 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.467 2.193 0.374 1.00 0.00 C ATOM 0 H LEU A 35 0.115 -1.214 2.519 1.00 0.00 H new ATOM 0 HA LEU A 35 1.138 1.396 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.401 -0.570 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.065 1.043 0.057 1.00 0.00 H new ATOM 0 HG LEU A 35 2.702 0.095 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.072 0.608 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.789 -0.607 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.363 1.085 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.481 2.320 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.790 2.850 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.442 2.447 1.434 1.00 0.00 H new ATOM 539 N ARG A 36 -2.173 1.108 2.406 1.00 0.00 N ATOM 540 CA ARG A 36 -3.429 1.858 2.431 1.00 0.00 C ATOM 541 C ARG A 36 -3.418 2.787 3.632 1.00 0.00 C ATOM 542 O ARG A 36 -3.564 4.002 3.489 1.00 0.00 O ATOM 543 CB ARG A 36 -4.657 0.933 2.511 1.00 0.00 C ATOM 544 CG ARG A 36 -4.824 -0.158 1.454 1.00 0.00 C ATOM 545 CD ARG A 36 -5.531 0.341 0.219 1.00 0.00 C ATOM 546 NE ARG A 36 -5.266 -0.516 -0.949 1.00 0.00 N ATOM 547 CZ ARG A 36 -5.895 -1.648 -1.291 1.00 0.00 C ATOM 548 NH1 ARG A 36 -6.885 -2.161 -0.564 1.00 0.00 N ATOM 549 NH2 ARG A 36 -5.522 -2.300 -2.386 1.00 0.00 N ATOM 0 H ARG A 36 -2.286 0.106 2.561 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.506 2.422 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.642 0.448 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.547 1.562 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.843 -0.544 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.386 -0.990 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.604 0.379 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.209 1.360 0.003 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.516 -0.212 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.190 -1.689 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.339 -3.026 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.761 -1.938 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.997 -3.163 -2.652 1.00 0.00 H new ATOM 563 N LYS A 37 -3.214 2.200 4.816 1.00 0.00 N ATOM 564 CA LYS A 37 -3.199 2.944 6.069 1.00 0.00 C ATOM 565 C LYS A 37 -2.008 3.902 6.128 1.00 0.00 C ATOM 566 O LYS A 37 -2.106 4.942 6.781 1.00 0.00 O ATOM 567 CB LYS A 37 -3.304 2.005 7.283 1.00 0.00 C ATOM 568 CG LYS A 37 -2.012 1.257 7.633 1.00 0.00 C ATOM 569 CD LYS A 37 -2.282 0.179 8.693 1.00 0.00 C ATOM 570 CE LYS A 37 -1.059 -0.701 8.974 1.00 0.00 C ATOM 571 NZ LYS A 37 0.067 0.057 9.550 1.00 0.00 N ATOM 0 H LYS A 37 -3.056 1.199 4.927 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.089 3.573 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.615 2.588 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.090 1.274 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.597 0.797 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.267 1.961 8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.599 0.659 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.108 -0.451 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.341 -1.501 9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.736 -1.175 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.884 -0.575 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.325 0.836 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.212 0.445 10.473 1.00 0.00 H new ATOM 585 N CYS A 38 -0.914 3.585 5.422 1.00 0.00 N ATOM 586 CA CYS A 38 0.172 4.516 5.201 1.00 0.00 C ATOM 587 C CYS A 38 -0.328 5.674 4.348 1.00 0.00 C ATOM 588 O CYS A 38 -0.190 6.821 4.733 1.00 0.00 O ATOM 589 CB CYS A 38 1.356 3.832 4.508 1.00 0.00 C ATOM 590 SG CYS A 38 2.793 4.928 4.323 1.00 0.00 S ATOM 0 H CYS A 38 -0.769 2.671 4.992 1.00 0.00 H new ATOM 0 HA CYS A 38 0.516 4.886 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.648 2.952 5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.043 3.482 3.524 1.00 0.00 H new ATOM 592 N CYS A 39 -0.899 5.388 3.182 1.00 0.00 N ATOM 593 CA CYS A 39 -1.218 6.377 2.166 1.00 0.00 C ATOM 594 C CYS A 39 -2.229 7.395 2.657 1.00 0.00 C ATOM 595 O CYS A 39 -2.040 8.604 2.520 1.00 0.00 O ATOM 596 CB CYS A 39 -1.725 5.617 0.959 1.00 0.00 C ATOM 597 SG CYS A 39 -2.202 6.553 -0.504 1.00 0.00 S ATOM 0 H CYS A 39 -1.158 4.438 2.914 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.331 6.957 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.950 4.910 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.588 5.031 1.274 1.00 0.00 H new ATOM 599 N ALA A 40 -3.281 6.883 3.287 1.00 0.00 N ATOM 600 CA ALA A 40 -4.375 7.679 3.799 1.00 0.00 C ATOM 601 C ALA A 40 -3.961 8.578 4.971 1.00 0.00 C ATOM 602 O ALA A 40 -4.775 9.365 5.445 1.00 0.00 O ATOM 603 CB ALA A 40 -5.535 6.756 4.185 1.00 0.00 C ATOM 0 H ALA A 40 -3.393 5.883 3.456 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.696 8.356 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.361 7.352 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.867 6.202 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.203 6.056 4.952 1.00 0.00 H new ATOM 609 N GLN A 41 -2.711 8.480 5.438 1.00 0.00 N ATOM 610 CA GLN A 41 -2.185 9.235 6.544 1.00 0.00 C ATOM 611 C GLN A 41 -1.647 10.597 6.095 1.00 0.00 C ATOM 612 O GLN A 41 -1.239 11.391 6.942 1.00 0.00 O ATOM 613 CB GLN A 41 -1.079 8.373 7.154 1.00 0.00 C ATOM 614 CG GLN A 41 -1.020 8.408 8.658 1.00 0.00 C ATOM 615 CD GLN A 41 -2.243 7.798 9.352 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.765 8.365 10.303 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.732 6.640 8.917 1.00 0.00 N ATOM 0 H GLN A 41 -2.025 7.845 5.030 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.965 9.454 7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.220 7.341 6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.119 8.702 6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.127 7.876 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.912 9.443 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.297 6.168 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.542 6.224 9.376 1.00 0.00 H new ATOM 626 N TYR A 42 -1.608 10.860 4.779 1.00 0.00 N ATOM 627 CA TYR A 42 -0.925 11.991 4.191 1.00 0.00 C ATOM 628 C TYR A 42 -1.782 12.663 3.115 1.00 0.00 C ATOM 629 O TYR A 42 -2.673 12.021 2.553 1.00 0.00 O ATOM 630 CB TYR A 42 0.398 11.533 3.558 1.00 0.00 C ATOM 631 CG TYR A 42 1.387 10.887 4.506 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.222 9.535 4.834 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.462 11.610 5.055 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.140 8.874 5.663 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.376 10.966 5.910 1.00 0.00 C ATOM 636 CZ TYR A 42 3.220 9.596 6.219 1.00 0.00 C ATOM 637 OH TYR A 42 4.101 8.983 7.058 1.00 0.00 O ATOM 0 H TYR A 42 -2.068 10.267 4.088 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.733 12.711 4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.173 10.826 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.876 12.396 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.374 8.993 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.586 12.657 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.022 7.822 5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.200 11.522 6.332 1.00 0.00 H new ATOM 0 HH TYR A 42 4.781 9.627 7.346 1.00 0.00 H new ATOM 647 N PRO A 43 -1.497 13.933 2.769 1.00 0.00 N ATOM 648 CA PRO A 43 -2.036 14.543 1.563 1.00 0.00 C ATOM 649 C PRO A 43 -1.360 13.792 0.409 1.00 0.00 C ATOM 650 O PRO A 43 -0.162 13.937 0.211 1.00 0.00 O ATOM 651 CB PRO A 43 -1.666 16.029 1.648 1.00 0.00 C ATOM 652 CG PRO A 43 -0.419 16.056 2.535 1.00 0.00 C ATOM 653 CD PRO A 43 -0.607 14.857 3.467 1.00 0.00 C ATOM 0 HA PRO A 43 -3.116 14.481 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.462 16.446 0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.475 16.617 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.493 15.965 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.346 16.989 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.349 14.383 3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.038 15.168 4.419 1.00 0.00 H new ATOM 661 N LYS A 44 -2.110 12.963 -0.321 1.00 0.00 N ATOM 662 CA LYS A 44 -1.631 11.934 -1.260 1.00 0.00 C ATOM 663 C LYS A 44 -0.431 12.293 -2.136 1.00 0.00 C ATOM 664 O LYS A 44 0.454 11.458 -2.317 1.00 0.00 O ATOM 665 CB LYS A 44 -2.804 11.424 -2.120 1.00 0.00 C ATOM 666 CG LYS A 44 -4.089 11.097 -1.334 1.00 0.00 C ATOM 667 CD LYS A 44 -3.835 10.068 -0.228 1.00 0.00 C ATOM 668 CE LYS A 44 -5.080 9.797 0.615 1.00 0.00 C ATOM 669 NZ LYS A 44 -5.323 10.888 1.579 1.00 0.00 N ATOM 0 H LYS A 44 -3.129 12.990 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.238 11.148 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.038 12.176 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.483 10.529 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.489 12.011 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.846 10.715 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.493 9.135 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.033 10.424 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.946 9.686 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.961 8.855 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.867 10.523 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.413 11.263 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.860 11.648 1.115 1.00 0.00 H new ATOM 683 N GLY A 45 -0.358 13.534 -2.619 1.00 0.00 N ATOM 684 CA GLY A 45 0.775 14.042 -3.394 1.00 0.00 C ATOM 685 C GLY A 45 2.121 13.949 -2.663 1.00 0.00 C ATOM 686 O GLY A 45 3.166 14.000 -3.304 1.00 0.00 O ATOM 0 H GLY A 45 -1.095 14.225 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.841 13.486 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.586 15.083 -3.655 1.00 0.00 H new ATOM 690 N ARG A 46 2.121 13.771 -1.336 1.00 0.00 N ATOM 691 CA ARG A 46 3.269 13.505 -0.493 1.00 0.00 C ATOM 692 C ARG A 46 3.900 12.133 -0.769 1.00 0.00 C ATOM 693 O ARG A 46 4.974 11.843 -0.244 1.00 0.00 O ATOM 694 CB ARG A 46 2.771 13.667 0.951 1.00 0.00 C ATOM 695 CG ARG A 46 3.837 13.613 2.044 1.00 0.00 C ATOM 696 CD ARG A 46 3.894 14.885 2.897 1.00 0.00 C ATOM 697 NE ARG A 46 4.478 16.025 2.164 1.00 0.00 N ATOM 698 CZ ARG A 46 4.363 17.314 2.515 1.00 0.00 C ATOM 699 NH1 ARG A 46 3.588 17.662 3.541 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.024 18.256 1.842 1.00 0.00 N ATOM 0 H ARG A 46 1.256 13.814 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 46 4.082 14.202 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.250 14.621 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.037 12.886 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.641 12.758 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.811 13.448 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.888 15.145 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.483 14.692 3.794 1.00 0.00 H new ATOM 0 HE ARG A 46 5.013 15.815 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.080 16.947 4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.502 18.643 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.621 17.998 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.933 19.235 2.113 1.00 0.00 H new ATOM 714 N SER A 47 3.283 11.274 -1.588 1.00 0.00 N ATOM 715 CA SER A 47 3.891 10.022 -1.973 1.00 0.00 C ATOM 716 C SER A 47 3.501 9.607 -3.383 1.00 0.00 C ATOM 717 O SER A 47 2.341 9.650 -3.797 1.00 0.00 O ATOM 718 CB SER A 47 3.572 8.978 -0.908 1.00 0.00 C ATOM 719 OG SER A 47 3.745 7.660 -1.372 1.00 0.00 O ATOM 0 H SER A 47 2.360 11.435 -1.991 1.00 0.00 H new ATOM 0 HA SER A 47 4.974 10.133 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.213 9.141 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.543 9.109 -0.573 1.00 0.00 H new ATOM 0 HG SER A 47 4.573 7.289 -1.001 1.00 0.00 H new ATOM 725 N VAL A 48 4.522 9.153 -4.107 1.00 0.00 N ATOM 726 CA VAL A 48 4.424 8.631 -5.450 1.00 0.00 C ATOM 727 C VAL A 48 3.742 7.269 -5.398 1.00 0.00 C ATOM 728 O VAL A 48 2.760 7.054 -6.108 1.00 0.00 O ATOM 729 CB VAL A 48 5.806 8.563 -6.135 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.622 8.216 -7.619 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.580 9.889 -6.022 1.00 0.00 C ATOM 0 H VAL A 48 5.477 9.143 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 48 3.821 9.305 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 48 6.386 7.794 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.597 8.167 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.124 7.251 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.015 8.983 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.545 9.790 -6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.007 10.686 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.736 10.131 -4.971 1.00 0.00 H new ATOM 741 N VAL A 49 4.213 6.359 -4.538 1.00 0.00 N ATOM 742 CA VAL A 49 3.611 5.040 -4.427 1.00 0.00 C ATOM 743 C VAL A 49 2.144 5.172 -4.010 1.00 0.00 C ATOM 744 O VAL A 49 1.303 4.541 -4.634 1.00 0.00 O ATOM 745 CB VAL A 49 4.428 4.111 -3.510 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.921 4.132 -3.848 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.325 4.477 -2.033 1.00 0.00 C ATOM 0 H VAL A 49 5.005 6.517 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 49 3.628 4.558 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 49 3.995 3.126 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.456 3.462 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.066 3.804 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.306 5.145 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.924 3.783 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.693 5.492 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.284 4.418 -1.715 1.00 0.00 H new ATOM 757 N CYS A 50 1.829 6.043 -3.036 1.00 0.00 N ATOM 758 CA CYS A 50 0.484 6.327 -2.539 1.00 0.00 C ATOM 759 C CYS A 50 -0.382 6.936 -3.652 1.00 0.00 C ATOM 760 O CYS A 50 -1.574 6.640 -3.742 1.00 0.00 O ATOM 761 CB CYS A 50 0.628 7.330 -1.391 1.00 0.00 C ATOM 762 SG CYS A 50 -0.860 8.067 -0.682 1.00 0.00 S ATOM 0 H CYS A 50 2.543 6.590 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 50 0.002 5.409 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.165 6.832 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.263 8.143 -1.742 1.00 0.00 H new ATOM 764 N SER A 51 0.220 7.740 -4.536 1.00 0.00 N ATOM 765 CA SER A 51 -0.440 8.236 -5.733 1.00 0.00 C ATOM 766 C SER A 51 -0.759 7.084 -6.700 1.00 0.00 C ATOM 767 O SER A 51 -1.767 7.149 -7.401 1.00 0.00 O ATOM 768 CB SER A 51 0.401 9.333 -6.391 1.00 0.00 C ATOM 769 OG SER A 51 0.600 10.417 -5.498 1.00 0.00 O ATOM 0 H SER A 51 1.182 8.062 -4.434 1.00 0.00 H new ATOM 0 HA SER A 51 -1.393 8.684 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.365 8.925 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.096 9.686 -7.294 1.00 0.00 H new ATOM 0 HG SER A 51 1.039 10.094 -4.684 1.00 0.00 H new ATOM 775 N GLY A 52 0.034 5.999 -6.695 1.00 0.00 N ATOM 776 CA GLY A 52 -0.339 4.752 -7.376 1.00 0.00 C ATOM 777 C GLY A 52 -1.517 4.098 -6.697 1.00 0.00 C ATOM 778 O GLY A 52 -2.428 3.528 -7.293 1.00 0.00 O ATOM 0 H GLY A 52 0.939 5.963 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.585 4.961 -8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.509 4.068 -7.380 1.00 0.00 H new ATOM 782 N PHE A 53 -1.426 4.168 -5.388 1.00 0.00 N ATOM 783 CA PHE A 53 -2.180 3.406 -4.462 1.00 0.00 C ATOM 784 C PHE A 53 -3.617 3.800 -4.298 1.00 0.00 C ATOM 785 O PHE A 53 -4.467 2.930 -4.196 1.00 0.00 O ATOM 786 CB PHE A 53 -1.441 3.537 -3.155 1.00 0.00 C ATOM 787 CG PHE A 53 -1.499 2.243 -2.495 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.838 1.150 -3.081 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.288 2.133 -1.364 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.969 -0.104 -2.490 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.381 0.895 -0.787 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.751 -0.216 -1.334 1.00 0.00 C ATOM 0 H PHE A 53 -0.776 4.806 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.254 2.384 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.407 3.835 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.896 4.307 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.241 1.280 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.808 2.986 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.479 -0.969 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.960 0.779 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.866 -1.180 -0.861 1.00 0.00 H new ATOM 802 N GLU A 54 -3.905 5.090 -4.280 1.00 0.00 N ATOM 803 CA GLU A 54 -5.286 5.533 -4.322 1.00 0.00 C ATOM 804 C GLU A 54 -5.932 5.162 -5.662 1.00 0.00 C ATOM 805 O GLU A 54 -7.119 4.838 -5.668 1.00 0.00 O ATOM 806 CB GLU A 54 -5.390 7.017 -3.954 1.00 0.00 C ATOM 807 CG GLU A 54 -5.191 7.194 -2.437 1.00 0.00 C ATOM 808 CD GLU A 54 -6.454 6.879 -1.635 1.00 0.00 C ATOM 809 OE1 GLU A 54 -6.654 5.683 -1.325 1.00 0.00 O ATOM 810 OE2 GLU A 54 -7.191 7.841 -1.330 1.00 0.00 O ATOM 0 H GLU A 54 -3.213 5.838 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.865 5.006 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.638 7.589 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.364 7.407 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.382 6.544 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.882 8.219 -2.232 1.00 0.00 H new ATOM 817 N LYS A 55 -5.170 5.077 -6.770 1.00 0.00 N ATOM 818 CA LYS A 55 -5.721 4.515 -7.999 1.00 0.00 C ATOM 819 C LYS A 55 -5.925 3.000 -7.858 1.00 0.00 C ATOM 820 O LYS A 55 -6.935 2.469 -8.318 1.00 0.00 O ATOM 821 CB LYS A 55 -4.866 4.901 -9.218 1.00 0.00 C ATOM 822 CG LYS A 55 -5.569 4.644 -10.563 1.00 0.00 C ATOM 823 CD LYS A 55 -6.846 5.482 -10.736 1.00 0.00 C ATOM 824 CE LYS A 55 -7.447 5.302 -12.129 1.00 0.00 C ATOM 825 NZ LYS A 55 -8.667 6.115 -12.285 1.00 0.00 N ATOM 0 H LYS A 55 -4.199 5.383 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.707 4.947 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.604 5.957 -9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.933 4.339 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.880 4.868 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.820 3.586 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.578 5.192 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.617 6.535 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.715 5.588 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.682 4.251 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.342 5.614 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.099 6.275 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.422 7.030 -12.715 1.00 0.00 H new ATOM 839 N GLU A 56 -5.012 2.309 -7.163 1.00 0.00 N ATOM 840 CA GLU A 56 -5.196 0.914 -6.776 1.00 0.00 C ATOM 841 C GLU A 56 -6.477 0.759 -5.943 1.00 0.00 C ATOM 842 O GLU A 56 -7.251 -0.166 -6.171 1.00 0.00 O ATOM 843 CB GLU A 56 -3.961 0.388 -6.015 1.00 0.00 C ATOM 844 CG GLU A 56 -3.770 -1.115 -6.236 1.00 0.00 C ATOM 845 CD GLU A 56 -2.823 -1.678 -5.182 1.00 0.00 C ATOM 846 OE1 GLU A 56 -3.344 -1.983 -4.087 1.00 0.00 O ATOM 847 OE2 GLU A 56 -1.609 -1.776 -5.468 1.00 0.00 O ATOM 0 H GLU A 56 -4.125 2.707 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.304 0.312 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.071 0.923 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.074 0.590 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.732 -1.624 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.368 -1.297 -7.233 1.00 0.00 H new ATOM 854 N GLU A 57 -6.722 1.673 -4.999 1.00 0.00 N ATOM 855 CA GLU A 57 -7.886 1.674 -4.125 1.00 0.00 C ATOM 856 C GLU A 57 -9.163 1.892 -4.942 1.00 0.00 C ATOM 857 O GLU A 57 -10.157 1.224 -4.679 1.00 0.00 O ATOM 858 CB GLU A 57 -7.721 2.716 -3.000 1.00 0.00 C ATOM 859 CG GLU A 57 -8.450 2.326 -1.703 1.00 0.00 C ATOM 860 CD GLU A 57 -9.975 2.270 -1.839 1.00 0.00 C ATOM 861 OE1 GLU A 57 -10.569 3.343 -2.082 1.00 0.00 O ATOM 862 OE2 GLU A 57 -10.519 1.156 -1.677 1.00 0.00 O ATOM 0 H GLU A 57 -6.092 2.455 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.973 0.700 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.660 2.847 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.098 3.678 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.089 1.352 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.191 3.042 -0.923 1.00 0.00 H new ATOM 869 N GLU A 58 -9.134 2.758 -5.962 1.00 0.00 N ATOM 870 CA GLU A 58 -10.253 2.933 -6.887 1.00 0.00 C ATOM 871 C GLU A 58 -10.578 1.638 -7.640 1.00 0.00 C ATOM 872 O GLU A 58 -11.745 1.383 -7.929 1.00 0.00 O ATOM 873 CB GLU A 58 -9.967 4.058 -7.892 1.00 0.00 C ATOM 874 CG GLU A 58 -10.044 5.465 -7.285 1.00 0.00 C ATOM 875 CD GLU A 58 -9.453 6.498 -8.247 1.00 0.00 C ATOM 876 OE1 GLU A 58 -10.024 6.646 -9.351 1.00 0.00 O ATOM 877 OE2 GLU A 58 -8.422 7.106 -7.881 1.00 0.00 O ATOM 0 H GLU A 58 -8.333 3.356 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.120 3.205 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.974 3.909 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.679 3.988 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.082 5.716 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.503 5.489 -6.339 1.00 0.00 H new ATOM 884 N GLU A 59 -9.575 0.804 -7.939 1.00 0.00 N ATOM 885 CA GLU A 59 -9.826 -0.538 -8.441 1.00 0.00 C ATOM 886 C GLU A 59 -10.385 -1.423 -7.322 1.00 0.00 C ATOM 887 O GLU A 59 -11.353 -2.155 -7.520 1.00 0.00 O ATOM 888 CB GLU A 59 -8.564 -1.129 -9.095 1.00 0.00 C ATOM 889 CG GLU A 59 -8.787 -2.518 -9.715 1.00 0.00 C ATOM 890 CD GLU A 59 -9.895 -2.540 -10.775 1.00 0.00 C ATOM 891 OE1 GLU A 59 -9.825 -1.695 -11.694 1.00 0.00 O ATOM 892 OE2 GLU A 59 -10.790 -3.403 -10.652 1.00 0.00 O ATOM 0 H GLU A 59 -8.588 1.040 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.582 -0.491 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.212 -0.447 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.774 -1.197 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.856 -2.860 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.037 -3.225 -8.924 1.00 0.00 H new ATOM 899 N ASN A 60 -9.781 -1.374 -6.134 1.00 0.00 N ATOM 900 CA ASN A 60 -10.108 -2.294 -5.057 1.00 0.00 C ATOM 901 C ASN A 60 -11.519 -2.099 -4.531 1.00 0.00 C ATOM 902 O ASN A 60 -12.163 -3.105 -4.231 1.00 0.00 O ATOM 903 CB ASN A 60 -9.110 -2.218 -3.911 1.00 0.00 C ATOM 904 CG ASN A 60 -7.849 -3.020 -4.200 1.00 0.00 C ATOM 905 OD1 ASN A 60 -7.499 -3.935 -3.459 1.00 0.00 O ATOM 906 ND2 ASN A 60 -7.124 -2.717 -5.263 1.00 0.00 N ATOM 0 H ASN A 60 -9.056 -0.697 -5.897 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.049 -3.289 -5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.844 -1.177 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.576 -2.591 -2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.274 -3.243 -5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.414 -1.957 -5.879 1.00 0.00 H new ATOM 913 N LEU A 61 -12.008 -0.850 -4.462 1.00 0.00 N ATOM 914 CA LEU A 61 -13.348 -0.549 -3.956 1.00 0.00 C ATOM 915 C LEU A 61 -14.457 -1.238 -4.757 1.00 0.00 C ATOM 916 O LEU A 61 -15.581 -1.329 -4.264 1.00 0.00 O ATOM 917 CB LEU A 61 -13.572 0.961 -3.755 1.00 0.00 C ATOM 918 CG LEU A 61 -13.537 1.861 -5.008 1.00 0.00 C ATOM 919 CD1 LEU A 61 -14.807 1.784 -5.869 1.00 0.00 C ATOM 920 CD2 LEU A 61 -13.344 3.321 -4.577 1.00 0.00 C ATOM 0 H LEU A 61 -11.484 -0.026 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.410 -0.988 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.540 1.096 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.815 1.323 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.709 1.497 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.704 2.445 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.952 0.760 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.668 2.093 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.319 3.961 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.171 3.623 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.405 3.418 -4.031 1.00 0.00 H new ATOM 932 N THR A 62 -14.144 -1.757 -5.952 1.00 0.00 N ATOM 933 CA THR A 62 -14.992 -2.657 -6.703 1.00 0.00 C ATOM 934 C THR A 62 -14.434 -4.076 -6.583 1.00 0.00 C ATOM 935 O THR A 62 -15.136 -4.968 -6.110 1.00 0.00 O ATOM 936 CB THR A 62 -15.230 -2.132 -8.131 1.00 0.00 C ATOM 937 OG1 THR A 62 -16.394 -2.727 -8.658 1.00 0.00 O ATOM 938 CG2 THR A 62 -14.112 -2.259 -9.172 1.00 0.00 C ATOM 0 H THR A 62 -13.265 -1.548 -6.426 1.00 0.00 H new ATOM 0 HA THR A 62 -15.998 -2.702 -6.286 1.00 0.00 H new ATOM 0 HB THR A 62 -15.304 -1.056 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 62 -16.549 -2.394 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.449 -1.840 -10.120 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.231 -1.717 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.860 -3.311 -9.309 1.00 0.00 H new ATOM 946 N ARG A 63 -13.149 -4.265 -6.916 1.00 0.00 N ATOM 947 CA ARG A 63 -12.507 -5.579 -7.064 1.00 0.00 C ATOM 948 C ARG A 63 -12.695 -6.467 -5.834 1.00 0.00 C ATOM 949 O ARG A 63 -12.984 -7.652 -5.996 1.00 0.00 O ATOM 950 CB ARG A 63 -11.026 -5.381 -7.441 1.00 0.00 C ATOM 951 CG ARG A 63 -10.239 -6.640 -7.848 1.00 0.00 C ATOM 952 CD ARG A 63 -9.721 -7.526 -6.703 1.00 0.00 C ATOM 953 NE ARG A 63 -8.884 -6.797 -5.734 1.00 0.00 N ATOM 954 CZ ARG A 63 -8.115 -7.367 -4.796 1.00 0.00 C ATOM 955 NH1 ARG A 63 -8.032 -8.691 -4.700 1.00 0.00 N ATOM 956 NH2 ARG A 63 -7.418 -6.628 -3.936 1.00 0.00 N ATOM 0 H ARG A 63 -12.512 -3.489 -7.094 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.998 -6.120 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.977 -4.669 -8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.518 -4.922 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.877 -7.249 -8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.386 -6.329 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.571 -7.965 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.144 -8.350 -7.123 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.890 -5.778 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.557 -9.283 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.444 -9.114 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.464 -5.610 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.838 -7.080 -3.229 1.00 0.00 H new ATOM 970 N LYS A 64 -12.585 -5.909 -4.622 1.00 0.00 N ATOM 971 CA LYS A 64 -12.866 -6.603 -3.373 1.00 0.00 C ATOM 972 C LYS A 64 -13.859 -5.845 -2.488 1.00 0.00 C ATOM 973 O LYS A 64 -13.895 -6.059 -1.273 1.00 0.00 O ATOM 974 CB LYS A 64 -11.562 -7.070 -2.688 1.00 0.00 C ATOM 975 CG LYS A 64 -10.475 -6.030 -2.351 1.00 0.00 C ATOM 976 CD LYS A 64 -10.906 -4.950 -1.351 1.00 0.00 C ATOM 977 CE LYS A 64 -9.709 -4.222 -0.735 1.00 0.00 C ATOM 978 NZ LYS A 64 -9.168 -4.939 0.435 1.00 0.00 N ATOM 0 H LYS A 64 -12.291 -4.942 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.401 -7.526 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.840 -7.567 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.107 -7.824 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.606 -6.551 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.158 -5.545 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.549 -4.228 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.499 -5.407 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.927 -4.111 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.010 -3.217 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.218 -4.577 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.794 -4.791 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.110 -5.956 0.223 1.00 0.00 H new ATOM 992 N SER A 65 -14.723 -5.017 -3.090 1.00 0.00 N ATOM 993 CA SER A 65 -15.615 -4.041 -2.444 1.00 0.00 C ATOM 994 C SER A 65 -14.830 -2.948 -1.702 1.00 0.00 C ATOM 995 O SER A 65 -13.610 -3.028 -1.573 1.00 0.00 O ATOM 996 CB SER A 65 -16.640 -4.741 -1.528 1.00 0.00 C ATOM 997 OG SER A 65 -16.021 -5.217 -0.346 1.00 0.00 O ATOM 0 H SER A 65 -14.825 -5.009 -4.105 1.00 0.00 H new ATOM 0 HA SER A 65 -16.175 -3.539 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.438 -4.045 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.102 -5.572 -2.061 1.00 0.00 H new ATOM 0 HG SER A 65 -15.352 -5.895 -0.577 1.00 0.00 H new ATOM 1003 N ALA A 66 -15.508 -1.951 -1.121 1.00 0.00 N ATOM 1004 CA ALA A 66 -14.885 -0.887 -0.326 1.00 0.00 C ATOM 1005 C ALA A 66 -14.265 -1.349 1.006 1.00 0.00 C ATOM 1006 O ALA A 66 -13.882 -0.535 1.844 1.00 0.00 O ATOM 1007 CB ALA A 66 -15.892 0.253 -0.129 1.00 0.00 C ATOM 0 H ALA A 66 -16.521 -1.860 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.027 -0.531 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.433 1.046 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.188 0.649 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.772 -0.125 0.392 1.00 0.00 H new ATOM 1013 N SER A 67 -14.118 -2.658 1.178 1.00 0.00 N ATOM 1014 CA SER A 67 -13.526 -3.384 2.290 1.00 0.00 C ATOM 1015 C SER A 67 -11.991 -3.246 2.321 1.00 0.00 C ATOM 1016 O SER A 67 -11.272 -4.215 2.571 1.00 0.00 O ATOM 1017 CB SER A 67 -13.973 -4.852 2.213 1.00 0.00 C ATOM 1018 OG SER A 67 -15.388 -4.951 2.187 1.00 0.00 O ATOM 0 H SER A 67 -14.448 -3.305 0.461 1.00 0.00 H new ATOM 0 HA SER A 67 -13.877 -2.952 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.556 -5.317 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.582 -5.401 3.070 1.00 0.00 H new ATOM 0 HG SER A 67 -15.677 -5.271 1.307 1.00 0.00 H new ATOM 1024 N LYS A 68 -11.469 -2.052 2.013 1.00 0.00 N ATOM 1025 CA LYS A 68 -10.048 -1.750 2.022 1.00 0.00 C ATOM 1026 C LYS A 68 -9.494 -1.773 3.447 1.00 0.00 C ATOM 1027 O LYS A 68 -10.100 -1.227 4.371 1.00 0.00 O ATOM 1028 CB LYS A 68 -9.759 -0.455 1.241 1.00 0.00 C ATOM 1029 CG LYS A 68 -10.328 0.837 1.854 1.00 0.00 C ATOM 1030 CD LYS A 68 -9.299 1.579 2.724 1.00 0.00 C ATOM 1031 CE LYS A 68 -9.928 2.769 3.452 1.00 0.00 C ATOM 1032 NZ LYS A 68 -10.911 2.333 4.464 1.00 0.00 N ATOM 0 H LYS A 68 -12.046 -1.254 1.745 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.506 -2.533 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.679 -0.344 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.159 -0.564 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.666 1.496 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.202 0.594 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.874 0.889 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.477 1.928 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.146 3.356 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.416 3.422 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.126 3.125 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.783 2.024 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.517 1.543 5.013 1.00 0.00 H new TER 1046 LYS A 68