USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 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 32 GLN : amide:sc= 0.956 K(o=1.4,f=-0.55) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.416 K(o=1.4,f=-0.69) USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= 0.235 USER MOD Set 2.2: A 17 CYS SG : rot 66:sc= 0.496 USER MOD Set 3.1: A 7 MET CE :methyl 141:sc= -0.679 (180deg=-2.62) USER MOD Set 3.2: A 57 MET CE :methyl -176:sc= -1.05 (180deg=-1.09) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 1.23 (180deg=0.985) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.18) USER MOD Single : A 12 MET CE :methyl 176:sc= -0.355 (180deg=-0.381) USER MOD Single : A 13 THR OG1 : rot -75:sc= 1.11 USER MOD Single : A 15 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.14) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.427 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0216) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= 0.611 K(o=0.61,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 89:sc= 0.0744 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-0.062) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0.923 (180deg=0.821) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.027 (180deg=-0.254) USER MOD Single : A 60 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.2) USER MOD Single : A 64 MET CE :methyl 169:sc= 0 (180deg=-0.113) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 2.335 1.177 14.002 1.00 0.00 N ATOM 11 CA GLU A 2 1.765 1.089 12.674 1.00 0.00 C ATOM 12 C GLU A 2 1.716 -0.380 12.237 1.00 0.00 C ATOM 13 O GLU A 2 2.462 -1.209 12.758 1.00 0.00 O ATOM 14 CB GLU A 2 2.580 1.980 11.724 1.00 0.00 C ATOM 15 CG GLU A 2 4.085 1.657 11.635 1.00 0.00 C ATOM 16 CD GLU A 2 4.941 2.391 12.666 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.862 2.005 13.854 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.654 3.324 12.242 1.00 0.00 O ATOM 0 HA GLU A 2 0.738 1.454 12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.151 1.904 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.467 3.017 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.224 0.583 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.442 1.909 10.636 1.00 0.00 H new ATOM 25 N VAL A 3 0.823 -0.715 11.302 1.00 0.00 N ATOM 26 CA VAL A 3 0.641 -2.049 10.783 1.00 0.00 C ATOM 27 C VAL A 3 0.980 -2.054 9.294 1.00 0.00 C ATOM 28 O VAL A 3 0.544 -1.173 8.548 1.00 0.00 O ATOM 29 CB VAL A 3 -0.765 -2.552 11.104 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.070 -2.462 12.604 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.832 -1.853 10.277 1.00 0.00 C ATOM 0 H VAL A 3 0.192 -0.034 10.880 1.00 0.00 H new ATOM 0 HA VAL A 3 1.321 -2.752 11.264 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.790 -3.606 10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.079 -2.829 12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.354 -3.069 13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.994 -1.424 12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.813 -2.246 10.542 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.804 -0.782 10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.645 -2.029 9.218 1.00 0.00 H new ATOM 41 N VAL A 4 1.800 -3.022 8.883 1.00 0.00 N ATOM 42 CA VAL A 4 2.284 -3.186 7.537 1.00 0.00 C ATOM 43 C VAL A 4 1.336 -4.095 6.742 1.00 0.00 C ATOM 44 O VAL A 4 1.098 -5.243 7.125 1.00 0.00 O ATOM 45 CB VAL A 4 3.744 -3.637 7.635 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.825 -5.119 7.891 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.542 -3.300 6.390 1.00 0.00 C ATOM 0 H VAL A 4 2.153 -3.738 9.518 1.00 0.00 H new ATOM 0 HA VAL A 4 2.284 -2.261 6.961 1.00 0.00 H new ATOM 0 HB VAL A 4 4.181 -3.091 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.870 -5.420 7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.319 -5.355 8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.344 -5.656 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.570 -3.642 6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.096 -3.794 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.535 -2.221 6.234 1.00 0.00 H new ATOM 57 N LEU A 5 0.770 -3.567 5.653 1.00 0.00 N ATOM 58 CA LEU A 5 -0.137 -4.284 4.769 1.00 0.00 C ATOM 59 C LEU A 5 0.626 -4.586 3.493 1.00 0.00 C ATOM 60 O LEU A 5 1.192 -3.674 2.888 1.00 0.00 O ATOM 61 CB LEU A 5 -1.397 -3.448 4.489 1.00 0.00 C ATOM 62 CG LEU A 5 -2.551 -3.775 5.449 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.316 -5.027 5.012 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.074 -3.909 6.902 1.00 0.00 C ATOM 0 H LEU A 5 0.938 -2.605 5.359 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.477 -5.212 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.151 -2.389 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.723 -3.622 3.463 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.238 -2.930 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.124 -5.224 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.733 -4.870 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.637 -5.879 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.924 -4.140 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.338 -4.710 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.621 -2.972 7.224 1.00 0.00 H new ATOM 76 N LYS A 6 0.663 -5.867 3.115 1.00 0.00 N ATOM 77 CA LYS A 6 1.412 -6.354 1.975 1.00 0.00 C ATOM 78 C LYS A 6 0.375 -6.711 0.911 1.00 0.00 C ATOM 79 O LYS A 6 -0.468 -7.586 1.133 1.00 0.00 O ATOM 80 CB LYS A 6 2.248 -7.571 2.402 1.00 0.00 C ATOM 81 CG LYS A 6 3.626 -7.643 1.745 1.00 0.00 C ATOM 82 CD LYS A 6 4.720 -7.013 2.613 1.00 0.00 C ATOM 83 CE LYS A 6 6.090 -7.059 1.917 1.00 0.00 C ATOM 84 NZ LYS A 6 6.535 -8.429 1.585 1.00 0.00 N ATOM 0 H LYS A 6 0.159 -6.603 3.610 1.00 0.00 H new ATOM 0 HA LYS A 6 2.110 -5.616 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.374 -7.550 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.696 -8.480 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.878 -8.685 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.593 -7.135 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.458 -5.978 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.777 -7.539 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.044 -6.468 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.833 -6.590 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.505 -8.398 1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.512 -9.019 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.901 -8.836 0.867 1.00 0.00 H new ATOM 98 N MET A 7 0.407 -5.996 -0.209 1.00 0.00 N ATOM 99 CA MET A 7 -0.555 -6.114 -1.283 1.00 0.00 C ATOM 100 C MET A 7 0.163 -6.634 -2.517 1.00 0.00 C ATOM 101 O MET A 7 1.084 -5.985 -3.000 1.00 0.00 O ATOM 102 CB MET A 7 -1.210 -4.762 -1.577 1.00 0.00 C ATOM 103 CG MET A 7 -1.385 -3.865 -0.347 1.00 0.00 C ATOM 104 SD MET A 7 -2.243 -2.319 -0.704 1.00 0.00 S ATOM 105 CE MET A 7 -2.348 -1.625 0.957 1.00 0.00 C ATOM 0 H MET A 7 1.128 -5.299 -0.393 1.00 0.00 H new ATOM 0 HA MET A 7 -1.345 -6.807 -0.992 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.608 -4.233 -2.315 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.187 -4.935 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.939 -4.412 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.404 -3.639 0.071 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.178 -0.549 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.337 -1.820 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.592 -2.086 1.592 1.00 0.00 H new ATOM 115 N LYS A 8 -0.231 -7.793 -3.038 1.00 0.00 N ATOM 116 CA LYS A 8 0.368 -8.266 -4.282 1.00 0.00 C ATOM 117 C LYS A 8 -0.171 -7.388 -5.391 1.00 0.00 C ATOM 118 O LYS A 8 -1.385 -7.257 -5.483 1.00 0.00 O ATOM 119 CB LYS A 8 0.012 -9.720 -4.574 1.00 0.00 C ATOM 120 CG LYS A 8 0.826 -10.701 -3.743 1.00 0.00 C ATOM 121 CD LYS A 8 0.469 -10.663 -2.254 1.00 0.00 C ATOM 122 CE LYS A 8 1.143 -11.828 -1.522 1.00 0.00 C ATOM 123 NZ LYS A 8 1.433 -11.468 -0.125 1.00 0.00 N ATOM 0 H LYS A 8 -0.940 -8.405 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 8 1.454 -8.213 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.049 -9.877 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.174 -9.924 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.668 -11.710 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.886 -10.478 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.789 -9.716 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.612 -10.722 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.496 -12.704 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.067 -12.098 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.905 -12.265 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.055 -10.635 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.544 -11.249 0.369 1.00 0.00 H new ATOM 137 N VAL A 9 0.694 -6.786 -6.199 1.00 0.00 N ATOM 138 CA VAL A 9 0.283 -5.919 -7.290 1.00 0.00 C ATOM 139 C VAL A 9 0.761 -6.550 -8.582 1.00 0.00 C ATOM 140 O VAL A 9 1.782 -7.226 -8.576 1.00 0.00 O ATOM 141 CB VAL A 9 0.864 -4.511 -7.123 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.105 -3.746 -6.034 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.368 -4.506 -6.835 1.00 0.00 C ATOM 0 H VAL A 9 1.705 -6.888 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.802 -5.814 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 9 0.734 -4.006 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.530 -2.748 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.946 -3.666 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.191 -4.280 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.715 -3.478 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.564 -5.053 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.898 -4.984 -7.659 1.00 0.00 H new ATOM 153 N GLU A 10 0.040 -6.314 -9.674 1.00 0.00 N ATOM 154 CA GLU A 10 0.373 -6.880 -10.967 1.00 0.00 C ATOM 155 C GLU A 10 0.797 -5.771 -11.922 1.00 0.00 C ATOM 156 O GLU A 10 0.407 -4.613 -11.763 1.00 0.00 O ATOM 157 CB GLU A 10 -0.805 -7.706 -11.499 1.00 0.00 C ATOM 158 CG GLU A 10 -1.186 -8.868 -10.562 1.00 0.00 C ATOM 159 CD GLU A 10 -0.195 -10.029 -10.616 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.964 -9.829 -10.189 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.617 -11.101 -11.098 1.00 0.00 O ATOM 0 H GLU A 10 -0.792 -5.724 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 10 1.218 -7.561 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.669 -7.055 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.550 -8.105 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.247 -8.497 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.178 -9.232 -10.829 1.00 0.00 H new ATOM 168 N GLY A 11 1.629 -6.115 -12.905 1.00 0.00 N ATOM 169 CA GLY A 11 1.989 -5.208 -13.986 1.00 0.00 C ATOM 170 C GLY A 11 3.115 -4.253 -13.594 1.00 0.00 C ATOM 171 O GLY A 11 4.045 -4.057 -14.374 1.00 0.00 O ATOM 0 H GLY A 11 2.071 -7.032 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.295 -5.788 -14.857 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.112 -4.631 -14.279 1.00 0.00 H new ATOM 175 N MET A 12 3.034 -3.652 -12.401 1.00 0.00 N ATOM 176 CA MET A 12 4.048 -2.736 -11.891 1.00 0.00 C ATOM 177 C MET A 12 5.439 -3.378 -11.886 1.00 0.00 C ATOM 178 O MET A 12 5.797 -4.094 -10.953 1.00 0.00 O ATOM 179 CB MET A 12 3.685 -2.259 -10.483 1.00 0.00 C ATOM 180 CG MET A 12 2.450 -1.355 -10.463 1.00 0.00 C ATOM 181 SD MET A 12 2.467 -0.216 -9.059 1.00 0.00 S ATOM 182 CE MET A 12 1.002 -0.755 -8.160 1.00 0.00 C ATOM 0 H MET A 12 2.253 -3.793 -11.760 1.00 0.00 H new ATOM 0 HA MET A 12 4.077 -1.877 -12.561 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.506 -3.125 -9.846 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.531 -1.720 -10.058 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.402 -0.786 -11.391 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.551 -1.970 -10.420 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.918 -0.193 -7.230 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.116 -0.581 -8.770 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.084 -1.818 -7.935 1.00 0.00 H new ATOM 192 N THR A 13 6.222 -3.101 -12.931 1.00 0.00 N ATOM 193 CA THR A 13 7.550 -3.657 -13.147 1.00 0.00 C ATOM 194 C THR A 13 8.553 -2.557 -13.508 1.00 0.00 C ATOM 195 O THR A 13 9.628 -2.853 -14.029 1.00 0.00 O ATOM 196 CB THR A 13 7.461 -4.733 -14.240 1.00 0.00 C ATOM 197 OG1 THR A 13 6.655 -4.277 -15.310 1.00 0.00 O ATOM 198 CG2 THR A 13 6.853 -6.020 -13.680 1.00 0.00 C ATOM 0 H THR A 13 5.935 -2.462 -13.672 1.00 0.00 H new ATOM 0 HA THR A 13 7.913 -4.117 -12.228 1.00 0.00 H new ATOM 0 HB THR A 13 8.471 -4.934 -14.597 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.712 -4.313 -15.047 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.798 -6.770 -14.469 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.476 -6.393 -12.867 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.851 -5.815 -13.304 1.00 0.00 H new ATOM 206 N CYS A 14 8.229 -1.293 -13.219 1.00 0.00 N ATOM 207 CA CYS A 14 9.117 -0.166 -13.431 1.00 0.00 C ATOM 208 C CYS A 14 9.010 0.748 -12.221 1.00 0.00 C ATOM 209 O CYS A 14 8.055 0.658 -11.449 1.00 0.00 O ATOM 210 CB CYS A 14 8.764 0.562 -14.736 1.00 0.00 C ATOM 211 SG CYS A 14 7.259 1.572 -14.711 1.00 0.00 S ATOM 0 H CYS A 14 7.326 -1.029 -12.825 1.00 0.00 H new ATOM 0 HA CYS A 14 10.148 -0.503 -13.535 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.602 1.204 -15.007 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.664 -0.182 -15.526 1.00 0.00 H new ATOM 0 HG CYS A 14 7.089 2.126 -15.875 1.00 0.00 H new ATOM 216 N HIS A 15 9.992 1.637 -12.073 1.00 0.00 N ATOM 217 CA HIS A 15 10.012 2.593 -10.981 1.00 0.00 C ATOM 218 C HIS A 15 8.962 3.693 -11.179 1.00 0.00 C ATOM 219 O HIS A 15 8.631 4.397 -10.231 1.00 0.00 O ATOM 220 CB HIS A 15 11.428 3.147 -10.793 1.00 0.00 C ATOM 221 CG HIS A 15 12.370 2.132 -10.191 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.742 0.928 -10.749 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.946 2.203 -8.950 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.543 0.303 -9.868 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.696 1.040 -8.757 1.00 0.00 N ATOM 0 H HIS A 15 10.789 1.710 -12.706 1.00 0.00 H new ATOM 0 HA HIS A 15 9.737 2.082 -10.058 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.818 3.473 -11.757 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.388 4.027 -10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.839 3.014 -8.245 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.001 -0.661 -10.032 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.250 0.799 -7.935 1.00 0.00 H new ATOM 233 N SER A 16 8.442 3.861 -12.400 1.00 0.00 N ATOM 234 CA SER A 16 7.483 4.912 -12.715 1.00 0.00 C ATOM 235 C SER A 16 6.210 4.718 -11.885 1.00 0.00 C ATOM 236 O SER A 16 5.849 5.581 -11.081 1.00 0.00 O ATOM 237 CB SER A 16 7.200 4.943 -14.228 1.00 0.00 C ATOM 238 OG SER A 16 6.886 6.260 -14.636 1.00 0.00 O ATOM 0 H SER A 16 8.678 3.268 -13.195 1.00 0.00 H new ATOM 0 HA SER A 16 7.902 5.883 -12.451 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.070 4.582 -14.776 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.373 4.273 -14.465 1.00 0.00 H new ATOM 0 HG SER A 16 6.709 6.270 -15.600 1.00 0.00 H new ATOM 244 N CYS A 17 5.548 3.568 -12.061 1.00 0.00 N ATOM 245 CA CYS A 17 4.318 3.250 -11.354 1.00 0.00 C ATOM 246 C CYS A 17 4.562 3.302 -9.848 1.00 0.00 C ATOM 247 O CYS A 17 3.877 4.021 -9.118 1.00 0.00 O ATOM 248 CB CYS A 17 3.800 1.868 -11.774 1.00 0.00 C ATOM 249 SG CYS A 17 3.697 1.559 -13.557 1.00 0.00 S ATOM 0 H CYS A 17 5.857 2.836 -12.700 1.00 0.00 H new ATOM 0 HA CYS A 17 3.558 3.987 -11.612 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.448 1.111 -11.332 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.808 1.729 -11.344 1.00 0.00 H new ATOM 0 HG CYS A 17 4.894 1.545 -14.065 1.00 0.00 H new ATOM 254 N THR A 18 5.556 2.537 -9.390 1.00 0.00 N ATOM 255 CA THR A 18 5.820 2.401 -7.972 1.00 0.00 C ATOM 256 C THR A 18 6.091 3.768 -7.353 1.00 0.00 C ATOM 257 O THR A 18 5.445 4.105 -6.371 1.00 0.00 O ATOM 258 CB THR A 18 6.948 1.400 -7.719 1.00 0.00 C ATOM 259 OG1 THR A 18 8.117 1.832 -8.370 1.00 0.00 O ATOM 260 CG2 THR A 18 6.580 0.006 -8.241 1.00 0.00 C ATOM 0 H THR A 18 6.187 2.005 -9.989 1.00 0.00 H new ATOM 0 HA THR A 18 4.935 1.996 -7.480 1.00 0.00 H new ATOM 0 HB THR A 18 7.110 1.341 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.875 1.283 -8.079 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.401 -0.684 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.682 -0.347 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.395 0.056 -9.314 1.00 0.00 H new ATOM 268 N SER A 19 6.985 4.576 -7.935 1.00 0.00 N ATOM 269 CA SER A 19 7.264 5.927 -7.457 1.00 0.00 C ATOM 270 C SER A 19 5.993 6.778 -7.447 1.00 0.00 C ATOM 271 O SER A 19 5.724 7.456 -6.458 1.00 0.00 O ATOM 272 CB SER A 19 8.349 6.579 -8.323 1.00 0.00 C ATOM 273 OG SER A 19 8.711 7.847 -7.810 1.00 0.00 O ATOM 0 H SER A 19 7.534 4.307 -8.752 1.00 0.00 H new ATOM 0 HA SER A 19 7.628 5.862 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.227 5.934 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.988 6.686 -9.346 1.00 0.00 H new ATOM 0 HG SER A 19 9.405 8.243 -8.377 1.00 0.00 H new ATOM 279 N THR A 20 5.194 6.750 -8.520 1.00 0.00 N ATOM 280 CA THR A 20 3.951 7.515 -8.567 1.00 0.00 C ATOM 281 C THR A 20 3.071 7.175 -7.361 1.00 0.00 C ATOM 282 O THR A 20 2.606 8.063 -6.639 1.00 0.00 O ATOM 283 CB THR A 20 3.218 7.264 -9.894 1.00 0.00 C ATOM 284 OG1 THR A 20 4.042 7.666 -10.968 1.00 0.00 O ATOM 285 CG2 THR A 20 1.910 8.056 -9.981 1.00 0.00 C ATOM 0 H THR A 20 5.388 6.207 -9.362 1.00 0.00 H new ATOM 0 HA THR A 20 4.186 8.578 -8.516 1.00 0.00 H new ATOM 0 HB THR A 20 2.990 6.199 -9.945 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.742 6.995 -11.112 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.423 7.850 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.250 7.760 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.124 9.122 -9.906 1.00 0.00 H new ATOM 293 N ILE A 21 2.842 5.882 -7.131 1.00 0.00 N ATOM 294 CA ILE A 21 2.059 5.416 -6.012 1.00 0.00 C ATOM 295 C ILE A 21 2.742 5.785 -4.694 1.00 0.00 C ATOM 296 O ILE A 21 2.064 6.228 -3.777 1.00 0.00 O ATOM 297 CB ILE A 21 1.819 3.914 -6.220 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.568 3.686 -7.086 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.692 3.130 -4.925 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.938 2.902 -8.336 1.00 0.00 C ATOM 0 H ILE A 21 3.201 5.134 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 21 1.084 5.901 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 21 2.706 3.538 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.186 3.143 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.128 4.644 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.524 2.077 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.609 3.234 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.852 3.515 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.047 2.745 -8.944 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.676 3.461 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.357 1.937 -8.050 1.00 0.00 H new ATOM 312 N GLU A 22 4.061 5.638 -4.581 1.00 0.00 N ATOM 313 CA GLU A 22 4.789 6.004 -3.378 1.00 0.00 C ATOM 314 C GLU A 22 4.550 7.475 -3.040 1.00 0.00 C ATOM 315 O GLU A 22 4.181 7.802 -1.914 1.00 0.00 O ATOM 316 CB GLU A 22 6.274 5.593 -3.480 1.00 0.00 C ATOM 317 CG GLU A 22 6.499 4.458 -2.469 1.00 0.00 C ATOM 318 CD GLU A 22 7.893 3.850 -2.447 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.839 4.553 -2.858 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.977 2.690 -1.979 1.00 0.00 O ATOM 0 H GLU A 22 4.650 5.261 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 22 4.404 5.442 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.513 5.262 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.924 6.440 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.274 4.837 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.782 3.665 -2.678 1.00 0.00 H new ATOM 327 N GLY A 23 4.674 8.353 -4.033 1.00 0.00 N ATOM 328 CA GLY A 23 4.327 9.756 -3.913 1.00 0.00 C ATOM 329 C GLY A 23 2.890 9.934 -3.426 1.00 0.00 C ATOM 330 O GLY A 23 2.652 10.630 -2.440 1.00 0.00 O ATOM 0 H GLY A 23 5.025 8.099 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.011 10.244 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.449 10.247 -4.879 1.00 0.00 H new ATOM 334 N LYS A 24 1.919 9.339 -4.129 1.00 0.00 N ATOM 335 CA LYS A 24 0.516 9.585 -3.812 1.00 0.00 C ATOM 336 C LYS A 24 0.149 9.016 -2.443 1.00 0.00 C ATOM 337 O LYS A 24 -0.317 9.732 -1.560 1.00 0.00 O ATOM 338 CB LYS A 24 -0.413 9.064 -4.923 1.00 0.00 C ATOM 339 CG LYS A 24 -1.617 10.004 -5.091 1.00 0.00 C ATOM 340 CD LYS A 24 -1.244 11.179 -6.008 1.00 0.00 C ATOM 341 CE LYS A 24 -2.377 12.212 -6.075 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.049 13.334 -6.980 1.00 0.00 N ATOM 0 H LYS A 24 2.078 8.697 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 24 0.372 10.664 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.136 8.992 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.758 8.060 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.460 9.457 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.935 10.378 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.335 11.656 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.027 10.808 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.291 11.726 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.575 12.598 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.840 14.009 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.191 13.814 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.885 12.969 -7.940 1.00 0.00 H new ATOM 356 N ILE A 25 0.359 7.716 -2.273 1.00 0.00 N ATOM 357 CA ILE A 25 0.016 6.993 -1.061 1.00 0.00 C ATOM 358 C ILE A 25 0.826 7.533 0.120 1.00 0.00 C ATOM 359 O ILE A 25 0.307 7.647 1.229 1.00 0.00 O ATOM 360 CB ILE A 25 0.120 5.471 -1.251 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.673 4.945 -2.452 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.237 4.692 0.026 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.169 5.161 -2.329 1.00 0.00 C ATOM 0 H ILE A 25 0.781 7.126 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.034 7.169 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 25 1.172 5.290 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.316 5.437 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.476 3.879 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.147 3.622 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.444 4.977 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.261 4.924 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.668 4.765 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.539 4.646 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.377 6.228 -2.242 1.00 0.00 H new ATOM 375 N GLY A 26 2.074 7.949 -0.117 1.00 0.00 N ATOM 376 CA GLY A 26 2.870 8.674 0.861 1.00 0.00 C ATOM 377 C GLY A 26 2.115 9.851 1.490 1.00 0.00 C ATOM 378 O GLY A 26 2.403 10.217 2.627 1.00 0.00 O ATOM 0 H GLY A 26 2.558 7.788 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.183 7.988 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.776 9.045 0.382 1.00 0.00 H new ATOM 382 N LYS A 27 1.160 10.450 0.768 1.00 0.00 N ATOM 383 CA LYS A 27 0.391 11.594 1.205 1.00 0.00 C ATOM 384 C LYS A 27 -1.024 11.191 1.668 1.00 0.00 C ATOM 385 O LYS A 27 -1.893 12.054 1.773 1.00 0.00 O ATOM 386 CB LYS A 27 0.428 12.591 0.034 1.00 0.00 C ATOM 387 CG LYS A 27 -0.334 13.887 0.302 1.00 0.00 C ATOM 388 CD LYS A 27 0.342 15.103 -0.345 1.00 0.00 C ATOM 389 CE LYS A 27 1.498 15.588 0.547 1.00 0.00 C ATOM 390 NZ LYS A 27 2.293 16.657 -0.090 1.00 0.00 N ATOM 0 H LYS A 27 0.902 10.132 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 27 0.812 12.065 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.467 12.832 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.011 12.112 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.351 13.794 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.410 14.046 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.718 14.839 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.384 15.904 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.095 15.953 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.149 14.746 0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.059 16.949 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.701 16.303 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.680 17.473 -0.291 1.00 0.00 H new ATOM 404 N LEU A 28 -1.287 9.916 1.988 1.00 0.00 N ATOM 405 CA LEU A 28 -2.554 9.552 2.603 1.00 0.00 C ATOM 406 C LEU A 28 -2.641 10.071 4.042 1.00 0.00 C ATOM 407 O LEU A 28 -1.639 10.401 4.673 1.00 0.00 O ATOM 408 CB LEU A 28 -2.746 8.040 2.600 1.00 0.00 C ATOM 409 CG LEU A 28 -2.936 7.368 1.232 1.00 0.00 C ATOM 410 CD1 LEU A 28 -3.930 6.217 1.373 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.414 8.290 0.101 1.00 0.00 C ATOM 0 H LEU A 28 -0.647 9.138 1.831 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.344 10.015 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.881 7.587 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.614 7.807 3.216 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.942 7.031 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.069 5.736 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.545 5.490 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.886 6.603 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.515 7.715 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.379 8.722 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.688 9.089 -0.049 1.00 0.00 H new ATOM 423 N GLN A 29 -3.868 10.101 4.567 1.00 0.00 N ATOM 424 CA GLN A 29 -4.202 10.637 5.877 1.00 0.00 C ATOM 425 C GLN A 29 -4.357 9.500 6.892 1.00 0.00 C ATOM 426 O GLN A 29 -5.462 9.030 7.135 1.00 0.00 O ATOM 427 CB GLN A 29 -5.439 11.547 5.782 1.00 0.00 C ATOM 428 CG GLN A 29 -6.609 10.941 4.992 1.00 0.00 C ATOM 429 CD GLN A 29 -7.810 11.880 4.940 1.00 0.00 C ATOM 430 OE1 GLN A 29 -8.148 12.530 5.923 1.00 0.00 O ATOM 431 NE2 GLN A 29 -8.460 11.979 3.784 1.00 0.00 N ATOM 0 H GLN A 29 -4.681 9.738 4.069 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.387 11.264 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.780 11.784 6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.149 12.488 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.282 10.714 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.906 9.998 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.159 11.427 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.260 12.607 3.701 1.00 0.00 H new ATOM 440 N GLY A 30 -3.243 9.054 7.481 1.00 0.00 N ATOM 441 CA GLY A 30 -3.223 7.927 8.414 1.00 0.00 C ATOM 442 C GLY A 30 -2.102 6.927 8.145 1.00 0.00 C ATOM 443 O GLY A 30 -2.006 5.913 8.837 1.00 0.00 O ATOM 0 H GLY A 30 -2.325 9.469 7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.121 8.309 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.180 7.408 8.364 1.00 0.00 H new ATOM 447 N VAL A 31 -1.268 7.188 7.135 1.00 0.00 N ATOM 448 CA VAL A 31 -0.148 6.340 6.785 1.00 0.00 C ATOM 449 C VAL A 31 1.091 6.753 7.585 1.00 0.00 C ATOM 450 O VAL A 31 1.159 7.874 8.089 1.00 0.00 O ATOM 451 CB VAL A 31 0.041 6.409 5.260 1.00 0.00 C ATOM 452 CG1 VAL A 31 0.777 7.681 4.818 1.00 0.00 C ATOM 453 CG2 VAL A 31 0.744 5.170 4.698 1.00 0.00 C ATOM 0 H VAL A 31 -1.361 8.008 6.535 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.331 5.298 7.048 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.966 6.440 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.885 7.681 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.206 8.557 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.764 7.710 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.852 5.271 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.730 5.073 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.152 4.283 4.922 1.00 0.00 H new ATOM 463 N GLN A 32 2.050 5.837 7.718 1.00 0.00 N ATOM 464 CA GLN A 32 3.275 6.010 8.492 1.00 0.00 C ATOM 465 C GLN A 32 4.512 5.755 7.626 1.00 0.00 C ATOM 466 O GLN A 32 5.501 6.482 7.717 1.00 0.00 O ATOM 467 CB GLN A 32 3.231 5.063 9.695 1.00 0.00 C ATOM 468 CG GLN A 32 2.321 5.614 10.805 1.00 0.00 C ATOM 469 CD GLN A 32 3.131 6.135 11.993 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.146 6.799 11.817 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.690 5.862 13.217 1.00 0.00 N ATOM 0 H GLN A 32 1.991 4.921 7.273 1.00 0.00 H new ATOM 0 HA GLN A 32 3.344 7.039 8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.870 4.085 9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.239 4.920 10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.704 6.418 10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.643 4.830 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.843 5.308 13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.199 6.207 14.031 1.00 0.00 H new ATOM 480 N ARG A 33 4.478 4.722 6.782 1.00 0.00 N ATOM 481 CA ARG A 33 5.574 4.380 5.892 1.00 0.00 C ATOM 482 C ARG A 33 4.987 3.582 4.747 1.00 0.00 C ATOM 483 O ARG A 33 3.807 3.244 4.750 1.00 0.00 O ATOM 484 CB ARG A 33 6.681 3.645 6.669 1.00 0.00 C ATOM 485 CG ARG A 33 7.987 3.526 5.867 1.00 0.00 C ATOM 486 CD ARG A 33 9.214 3.549 6.785 1.00 0.00 C ATOM 487 NE ARG A 33 9.352 4.867 7.428 1.00 0.00 N ATOM 488 CZ ARG A 33 10.425 5.291 8.114 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.473 4.476 8.279 1.00 0.00 N ATOM 490 NH2 ARG A 33 10.445 6.527 8.624 1.00 0.00 N ATOM 0 H ARG A 33 3.677 4.096 6.701 1.00 0.00 H new ATOM 0 HA ARG A 33 6.060 5.263 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.878 4.174 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.331 2.648 6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.979 2.600 5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.052 4.345 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.121 2.774 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.111 3.323 6.209 1.00 0.00 H new ATOM 0 HE ARG A 33 8.566 5.512 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.455 3.536 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.290 4.795 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.645 7.146 8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.260 6.850 9.146 1.00 0.00 H new ATOM 504 N ILE A 34 5.798 3.327 3.735 1.00 0.00 N ATOM 505 CA ILE A 34 5.392 2.691 2.520 1.00 0.00 C ATOM 506 C ILE A 34 6.669 2.098 1.938 1.00 0.00 C ATOM 507 O ILE A 34 7.740 2.693 2.071 1.00 0.00 O ATOM 508 CB ILE A 34 4.655 3.723 1.648 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.273 3.066 0.326 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.449 5.022 1.425 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.218 3.858 -0.442 1.00 0.00 C ATOM 0 H ILE A 34 6.788 3.570 3.749 1.00 0.00 H new ATOM 0 HA ILE A 34 4.673 1.879 2.631 1.00 0.00 H new ATOM 0 HB ILE A 34 3.758 4.033 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.164 2.960 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.898 2.061 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.867 5.701 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.651 5.494 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.392 4.792 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.984 3.344 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.315 3.942 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.600 4.854 -0.663 1.00 0.00 H new ATOM 523 N LYS A 35 6.564 0.879 1.415 1.00 0.00 N ATOM 524 CA LYS A 35 7.619 0.136 0.763 1.00 0.00 C ATOM 525 C LYS A 35 7.086 -0.558 -0.503 1.00 0.00 C ATOM 526 O LYS A 35 6.752 -1.745 -0.483 1.00 0.00 O ATOM 527 CB LYS A 35 8.318 -0.806 1.763 1.00 0.00 C ATOM 528 CG LYS A 35 9.468 -0.184 2.561 1.00 0.00 C ATOM 529 CD LYS A 35 10.658 0.131 1.648 1.00 0.00 C ATOM 530 CE LYS A 35 11.928 0.474 2.438 1.00 0.00 C ATOM 531 NZ LYS A 35 12.533 -0.717 3.072 1.00 0.00 N ATOM 0 H LYS A 35 5.686 0.360 1.441 1.00 0.00 H new ATOM 0 HA LYS A 35 8.395 0.819 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.573 -1.180 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.702 -1.667 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.126 0.729 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.781 -0.868 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.855 -0.726 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.402 0.967 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.655 0.936 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.688 1.209 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.432 -0.452 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.884 -1.095 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.710 -1.443 2.349 1.00 0.00 H new ATOM 545 N VAL A 36 6.974 0.163 -1.620 1.00 0.00 N ATOM 546 CA VAL A 36 6.432 -0.419 -2.842 1.00 0.00 C ATOM 547 C VAL A 36 7.551 -1.134 -3.601 1.00 0.00 C ATOM 548 O VAL A 36 8.550 -0.504 -3.938 1.00 0.00 O ATOM 549 CB VAL A 36 5.718 0.651 -3.680 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.135 0.044 -4.961 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.550 1.241 -2.883 1.00 0.00 C ATOM 0 H VAL A 36 7.249 1.142 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 36 5.675 -1.165 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 36 6.452 1.418 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.634 0.822 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.939 -0.389 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.417 -0.734 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.047 2.000 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.844 0.449 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.927 1.694 -1.966 1.00 0.00 H new ATOM 561 N SER A 37 7.401 -2.436 -3.879 1.00 0.00 N ATOM 562 CA SER A 37 8.386 -3.189 -4.634 1.00 0.00 C ATOM 563 C SER A 37 7.864 -3.376 -6.056 1.00 0.00 C ATOM 564 O SER A 37 6.688 -3.140 -6.331 1.00 0.00 O ATOM 565 CB SER A 37 8.654 -4.534 -3.958 1.00 0.00 C ATOM 566 OG SER A 37 8.667 -4.409 -2.546 1.00 0.00 O ATOM 0 H SER A 37 6.594 -2.986 -3.584 1.00 0.00 H new ATOM 0 HA SER A 37 9.332 -2.648 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.888 -5.251 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.611 -4.930 -4.299 1.00 0.00 H new ATOM 0 HG SER A 37 8.839 -5.285 -2.142 1.00 0.00 H new ATOM 572 N LEU A 38 8.739 -3.828 -6.952 1.00 0.00 N ATOM 573 CA LEU A 38 8.388 -4.179 -8.322 1.00 0.00 C ATOM 574 C LEU A 38 8.803 -5.622 -8.609 1.00 0.00 C ATOM 575 O LEU A 38 8.018 -6.398 -9.148 1.00 0.00 O ATOM 576 CB LEU A 38 8.974 -3.186 -9.334 1.00 0.00 C ATOM 577 CG LEU A 38 10.398 -2.698 -9.025 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.167 -2.503 -10.333 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.356 -1.377 -8.247 1.00 0.00 C ATOM 0 H LEU A 38 9.728 -3.962 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 38 7.306 -4.111 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.973 -3.653 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.315 -2.320 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 38 10.901 -3.446 -8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.177 -2.157 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.217 -3.450 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.656 -1.763 -10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.373 -1.046 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.844 -0.621 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.821 -1.524 -7.309 1.00 0.00 H new ATOM 591 N ASP A 39 10.022 -5.994 -8.211 1.00 0.00 N ATOM 592 CA ASP A 39 10.658 -7.273 -8.483 1.00 0.00 C ATOM 593 C ASP A 39 9.710 -8.421 -8.198 1.00 0.00 C ATOM 594 O ASP A 39 9.431 -9.256 -9.055 1.00 0.00 O ATOM 595 CB ASP A 39 11.903 -7.455 -7.591 1.00 0.00 C ATOM 596 CG ASP A 39 12.767 -6.206 -7.465 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.203 -5.193 -6.982 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.953 -6.284 -7.843 1.00 0.00 O ATOM 0 H ASP A 39 10.618 -5.375 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 39 10.940 -7.278 -9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.582 -7.763 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.511 -8.265 -7.995 1.00 0.00 H new ATOM 603 N ASN A 40 9.231 -8.448 -6.954 1.00 0.00 N ATOM 604 CA ASN A 40 8.391 -9.518 -6.456 1.00 0.00 C ATOM 605 C ASN A 40 6.909 -9.143 -6.590 1.00 0.00 C ATOM 606 O ASN A 40 6.071 -9.681 -5.872 1.00 0.00 O ATOM 607 CB ASN A 40 8.794 -9.865 -5.024 1.00 0.00 C ATOM 608 CG ASN A 40 8.561 -11.334 -4.667 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.782 -12.042 -5.294 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.285 -11.825 -3.664 1.00 0.00 N ATOM 0 H ASN A 40 9.421 -7.720 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 40 8.536 -10.416 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.848 -9.627 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.231 -9.237 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.197 -12.808 -3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.928 -11.219 -3.155 1.00 0.00 H new ATOM 617 N GLN A 41 6.608 -8.168 -7.462 1.00 0.00 N ATOM 618 CA GLN A 41 5.301 -7.582 -7.723 1.00 0.00 C ATOM 619 C GLN A 41 4.447 -7.462 -6.445 1.00 0.00 C ATOM 620 O GLN A 41 3.375 -8.057 -6.313 1.00 0.00 O ATOM 621 CB GLN A 41 4.647 -8.320 -8.917 1.00 0.00 C ATOM 622 CG GLN A 41 4.475 -7.411 -10.142 1.00 0.00 C ATOM 623 CD GLN A 41 4.185 -8.199 -11.421 1.00 0.00 C ATOM 624 OE1 GLN A 41 4.893 -8.049 -12.410 1.00 0.00 O ATOM 625 NE2 GLN A 41 3.158 -9.044 -11.464 1.00 0.00 N ATOM 0 H GLN A 41 7.332 -7.743 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 41 5.403 -6.541 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.259 -9.180 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.673 -8.705 -8.614 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.661 -6.710 -9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.380 -6.819 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.567 -9.171 -10.642 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.962 -9.565 -12.319 1.00 0.00 H new ATOM 634 N GLU A 42 4.926 -6.673 -5.473 1.00 0.00 N ATOM 635 CA GLU A 42 4.277 -6.558 -4.175 1.00 0.00 C ATOM 636 C GLU A 42 4.497 -5.148 -3.633 1.00 0.00 C ATOM 637 O GLU A 42 5.570 -4.573 -3.800 1.00 0.00 O ATOM 638 CB GLU A 42 4.767 -7.665 -3.221 1.00 0.00 C ATOM 639 CG GLU A 42 3.860 -7.757 -1.987 1.00 0.00 C ATOM 640 CD GLU A 42 4.181 -8.939 -1.088 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.348 -9.052 -0.657 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.228 -9.657 -0.713 1.00 0.00 O ATOM 0 H GLU A 42 5.767 -6.104 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 42 3.202 -6.708 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.779 -8.622 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.791 -7.458 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.950 -6.837 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.822 -7.829 -2.313 1.00 0.00 H new ATOM 649 N ALA A 43 3.465 -4.588 -3.008 1.00 0.00 N ATOM 650 CA ALA A 43 3.411 -3.234 -2.505 1.00 0.00 C ATOM 651 C ALA A 43 3.173 -3.284 -1.000 1.00 0.00 C ATOM 652 O ALA A 43 2.165 -3.829 -0.554 1.00 0.00 O ATOM 653 CB ALA A 43 2.297 -2.473 -3.228 1.00 0.00 C ATOM 0 H ALA A 43 2.601 -5.101 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 43 4.349 -2.711 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.252 -1.451 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.502 -2.458 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.343 -2.968 -3.049 1.00 0.00 H new ATOM 659 N THR A 44 4.097 -2.735 -0.213 1.00 0.00 N ATOM 660 CA THR A 44 3.956 -2.626 1.229 1.00 0.00 C ATOM 661 C THR A 44 3.438 -1.235 1.547 1.00 0.00 C ATOM 662 O THR A 44 4.067 -0.270 1.124 1.00 0.00 O ATOM 663 CB THR A 44 5.339 -2.803 1.860 1.00 0.00 C ATOM 664 OG1 THR A 44 5.962 -3.958 1.335 1.00 0.00 O ATOM 665 CG2 THR A 44 5.235 -2.937 3.372 1.00 0.00 C ATOM 0 H THR A 44 4.973 -2.351 -0.568 1.00 0.00 H new ATOM 0 HA THR A 44 3.270 -3.381 1.614 1.00 0.00 H new ATOM 0 HB THR A 44 5.933 -1.920 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.471 -3.719 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.232 -3.062 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.774 -2.040 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.624 -3.806 3.619 1.00 0.00 H new ATOM 673 N ILE A 45 2.338 -1.097 2.287 1.00 0.00 N ATOM 674 CA ILE A 45 1.924 0.196 2.804 1.00 0.00 C ATOM 675 C ILE A 45 1.762 0.040 4.315 1.00 0.00 C ATOM 676 O ILE A 45 1.125 -0.912 4.763 1.00 0.00 O ATOM 677 CB ILE A 45 0.648 0.680 2.105 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.765 0.789 0.572 1.00 0.00 C ATOM 679 CG2 ILE A 45 0.320 2.092 2.627 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.860 -0.516 -0.226 1.00 0.00 C ATOM 0 H ILE A 45 1.721 -1.869 2.539 1.00 0.00 H new ATOM 0 HA ILE A 45 2.668 0.967 2.602 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.120 -0.062 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.100 1.344 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.647 1.387 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.586 2.458 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.165 2.054 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.148 2.764 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.937 -0.288 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.742 -1.073 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.032 -1.117 -0.048 1.00 0.00 H new ATOM 692 N VAL A 46 2.384 0.930 5.092 1.00 0.00 N ATOM 693 CA VAL A 46 2.420 0.862 6.551 1.00 0.00 C ATOM 694 C VAL A 46 1.572 1.989 7.134 1.00 0.00 C ATOM 695 O VAL A 46 1.881 3.160 6.899 1.00 0.00 O ATOM 696 CB VAL A 46 3.866 0.935 7.077 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.948 0.249 8.443 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.871 0.272 6.129 1.00 0.00 C ATOM 0 H VAL A 46 2.886 1.734 4.715 1.00 0.00 H new ATOM 0 HA VAL A 46 2.008 -0.096 6.868 1.00 0.00 H new ATOM 0 HB VAL A 46 4.127 1.991 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.971 0.301 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.281 0.752 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.650 -0.795 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.874 0.352 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.613 -0.780 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.842 0.771 5.160 1.00 0.00 H new ATOM 708 N TYR A 47 0.506 1.659 7.874 1.00 0.00 N ATOM 709 CA TYR A 47 -0.487 2.648 8.281 1.00 0.00 C ATOM 710 C TYR A 47 -0.980 2.462 9.710 1.00 0.00 C ATOM 711 O TYR A 47 -0.616 1.501 10.383 1.00 0.00 O ATOM 712 CB TYR A 47 -1.660 2.639 7.292 1.00 0.00 C ATOM 713 CG TYR A 47 -2.702 1.568 7.561 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.459 0.227 7.224 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.905 1.906 8.206 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.460 -0.734 7.439 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.932 0.960 8.336 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.709 -0.364 7.954 1.00 0.00 C ATOM 719 OH TYR A 47 -5.686 -1.295 8.142 1.00 0.00 O ATOM 0 H TYR A 47 0.313 0.712 8.201 1.00 0.00 H new ATOM 0 HA TYR A 47 0.005 3.620 8.263 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.146 3.615 7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.268 2.502 6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.508 -0.064 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.039 2.901 8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.265 -1.770 7.205 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.893 1.255 8.731 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.485 -0.861 8.507 1.00 0.00 H new ATOM 729 N GLN A 48 -1.816 3.400 10.157 1.00 0.00 N ATOM 730 CA GLN A 48 -2.374 3.450 11.491 1.00 0.00 C ATOM 731 C GLN A 48 -3.851 3.011 11.472 1.00 0.00 C ATOM 732 O GLN A 48 -4.699 3.773 10.993 1.00 0.00 O ATOM 733 CB GLN A 48 -2.203 4.890 11.983 1.00 0.00 C ATOM 734 CG GLN A 48 -2.169 4.937 13.513 1.00 0.00 C ATOM 735 CD GLN A 48 -0.819 4.468 14.048 1.00 0.00 C ATOM 736 OE1 GLN A 48 0.137 5.234 14.084 1.00 0.00 O ATOM 737 NE2 GLN A 48 -0.698 3.204 14.440 1.00 0.00 N ATOM 0 H GLN A 48 -2.130 4.172 9.569 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.865 2.764 12.168 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.281 5.310 11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.023 5.506 11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.365 5.954 13.853 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.962 4.308 13.917 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.504 2.579 14.404 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.200 2.858 14.777 1.00 0.00 H new ATOM 746 N PRO A 49 -4.189 1.810 11.978 1.00 0.00 N ATOM 747 CA PRO A 49 -5.536 1.261 11.907 1.00 0.00 C ATOM 748 C PRO A 49 -6.452 1.977 12.898 1.00 0.00 C ATOM 749 O PRO A 49 -6.752 1.460 13.969 1.00 0.00 O ATOM 750 CB PRO A 49 -5.383 -0.236 12.191 1.00 0.00 C ATOM 751 CG PRO A 49 -4.188 -0.277 13.139 1.00 0.00 C ATOM 752 CD PRO A 49 -3.299 0.861 12.632 1.00 0.00 C ATOM 0 HA PRO A 49 -6.005 1.406 10.934 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.279 -0.655 12.650 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.197 -0.804 11.280 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.490 -0.121 14.175 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.675 -1.238 13.098 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.763 1.333 13.456 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.548 0.488 11.936 1.00 0.00 H new ATOM 760 N HIS A 50 -6.875 3.181 12.514 1.00 0.00 N ATOM 761 CA HIS A 50 -7.760 4.076 13.247 1.00 0.00 C ATOM 762 C HIS A 50 -8.008 5.310 12.381 1.00 0.00 C ATOM 763 O HIS A 50 -9.150 5.723 12.206 1.00 0.00 O ATOM 764 CB HIS A 50 -7.150 4.490 14.603 1.00 0.00 C ATOM 765 CG HIS A 50 -7.644 3.765 15.840 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.311 4.113 17.131 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.549 2.735 15.921 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.990 3.307 17.963 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.760 2.452 17.274 1.00 0.00 N ATOM 0 H HIS A 50 -6.587 3.581 11.621 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.697 3.562 13.460 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.070 4.355 14.542 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.331 5.556 14.742 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.015 2.232 15.087 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.925 3.342 19.040 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.377 1.737 17.660 1.00 0.00 H new ATOM 777 N LEU A 51 -6.939 5.908 11.844 1.00 0.00 N ATOM 778 CA LEU A 51 -7.058 7.109 11.030 1.00 0.00 C ATOM 779 C LEU A 51 -7.645 6.774 9.666 1.00 0.00 C ATOM 780 O LEU A 51 -8.514 7.480 9.162 1.00 0.00 O ATOM 781 CB LEU A 51 -5.691 7.755 10.863 1.00 0.00 C ATOM 782 CG LEU A 51 -5.149 8.304 12.198 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.693 8.756 12.055 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.001 9.475 12.705 1.00 0.00 C ATOM 0 H LEU A 51 -5.982 5.574 11.962 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.727 7.807 11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.990 7.024 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.758 8.566 10.137 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.200 7.493 12.924 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.335 9.139 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.078 7.910 11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.628 9.542 11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.593 9.840 13.648 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.989 10.279 11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.026 9.139 12.859 1.00 0.00 H new ATOM 796 N ILE A 52 -7.122 5.707 9.066 1.00 0.00 N ATOM 797 CA ILE A 52 -7.435 5.276 7.719 1.00 0.00 C ATOM 798 C ILE A 52 -7.653 3.762 7.769 1.00 0.00 C ATOM 799 O ILE A 52 -7.384 3.146 8.801 1.00 0.00 O ATOM 800 CB ILE A 52 -6.295 5.760 6.800 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.820 6.341 5.504 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.243 4.734 6.466 1.00 0.00 C ATOM 803 CD1 ILE A 52 -5.767 6.665 4.442 1.00 0.00 C ATOM 0 H ILE A 52 -6.444 5.101 9.528 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.350 5.701 7.306 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.809 6.526 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.535 5.638 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.369 7.254 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.492 5.182 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.768 4.388 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.707 3.889 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.256 7.075 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.063 7.396 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.231 5.755 4.171 1.00 0.00 H new ATOM 815 N SER A 53 -8.179 3.166 6.697 1.00 0.00 N ATOM 816 CA SER A 53 -8.610 1.775 6.664 1.00 0.00 C ATOM 817 C SER A 53 -8.130 1.105 5.378 1.00 0.00 C ATOM 818 O SER A 53 -7.894 1.797 4.385 1.00 0.00 O ATOM 819 CB SER A 53 -10.141 1.755 6.739 1.00 0.00 C ATOM 820 OG SER A 53 -10.672 2.558 5.698 1.00 0.00 O ATOM 0 H SER A 53 -8.318 3.651 5.811 1.00 0.00 H new ATOM 0 HA SER A 53 -8.186 1.226 7.505 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.508 0.733 6.648 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.474 2.128 7.708 1.00 0.00 H new ATOM 0 HG SER A 53 -11.651 2.546 5.742 1.00 0.00 H new ATOM 826 N VAL A 54 -8.035 -0.235 5.395 1.00 0.00 N ATOM 827 CA VAL A 54 -7.738 -1.089 4.241 1.00 0.00 C ATOM 828 C VAL A 54 -8.408 -0.567 2.971 1.00 0.00 C ATOM 829 O VAL A 54 -7.766 -0.477 1.924 1.00 0.00 O ATOM 830 CB VAL A 54 -8.148 -2.547 4.537 1.00 0.00 C ATOM 831 CG1 VAL A 54 -8.286 -3.403 3.268 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.099 -3.215 5.434 1.00 0.00 C ATOM 0 H VAL A 54 -8.169 -0.772 6.252 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.662 -1.065 4.066 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.121 -2.493 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.576 -4.417 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.048 -2.971 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.332 -3.429 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.396 -4.244 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.133 -3.210 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.021 -2.667 6.373 1.00 0.00 H new ATOM 842 N GLU A 55 -9.700 -0.239 3.063 1.00 0.00 N ATOM 843 CA GLU A 55 -10.433 0.234 1.909 1.00 0.00 C ATOM 844 C GLU A 55 -9.793 1.498 1.342 1.00 0.00 C ATOM 845 O GLU A 55 -9.523 1.517 0.159 1.00 0.00 O ATOM 846 CB GLU A 55 -11.917 0.413 2.211 1.00 0.00 C ATOM 847 CG GLU A 55 -12.733 0.681 0.941 1.00 0.00 C ATOM 848 CD GLU A 55 -13.719 -0.430 0.603 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.263 -1.594 0.560 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.894 -0.085 0.360 1.00 0.00 O ATOM 0 H GLU A 55 -10.247 -0.295 3.922 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.375 -0.532 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.297 -0.482 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.048 1.241 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.280 1.616 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.050 0.817 0.102 1.00 0.00 H new ATOM 857 N GLU A 56 -9.508 2.535 2.131 1.00 0.00 N ATOM 858 CA GLU A 56 -8.888 3.751 1.619 1.00 0.00 C ATOM 859 C GLU A 56 -7.625 3.389 0.847 1.00 0.00 C ATOM 860 O GLU A 56 -7.455 3.813 -0.290 1.00 0.00 O ATOM 861 CB GLU A 56 -8.590 4.740 2.757 1.00 0.00 C ATOM 862 CG GLU A 56 -9.484 5.984 2.664 1.00 0.00 C ATOM 863 CD GLU A 56 -9.146 6.822 1.434 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.067 7.452 1.462 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.956 6.796 0.480 1.00 0.00 O ATOM 0 H GLU A 56 -9.699 2.553 3.133 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.581 4.248 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.745 4.249 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.542 5.039 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.530 5.680 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.363 6.589 3.563 1.00 0.00 H new ATOM 872 N MET A 57 -6.765 2.557 1.439 1.00 0.00 N ATOM 873 CA MET A 57 -5.606 2.031 0.751 1.00 0.00 C ATOM 874 C MET A 57 -5.985 1.437 -0.618 1.00 0.00 C ATOM 875 O MET A 57 -5.538 1.926 -1.652 1.00 0.00 O ATOM 876 CB MET A 57 -4.845 1.036 1.629 1.00 0.00 C ATOM 877 CG MET A 57 -4.953 1.209 3.149 1.00 0.00 C ATOM 878 SD MET A 57 -3.930 0.098 4.141 1.00 0.00 S ATOM 879 CE MET A 57 -2.324 0.849 3.865 1.00 0.00 C ATOM 0 H MET A 57 -6.860 2.237 2.403 1.00 0.00 H new ATOM 0 HA MET A 57 -4.928 2.861 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.191 0.033 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.790 1.086 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.688 2.236 3.399 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.994 1.069 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.554 0.248 4.349 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.125 0.900 2.794 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.316 1.855 4.284 1.00 0.00 H new ATOM 889 N LYS A 58 -6.813 0.389 -0.646 1.00 0.00 N ATOM 890 CA LYS A 58 -7.188 -0.254 -1.901 1.00 0.00 C ATOM 891 C LYS A 58 -7.894 0.702 -2.843 1.00 0.00 C ATOM 892 O LYS A 58 -7.438 0.884 -3.955 1.00 0.00 O ATOM 893 CB LYS A 58 -7.943 -1.557 -1.653 1.00 0.00 C ATOM 894 CG LYS A 58 -8.893 -2.051 -2.753 1.00 0.00 C ATOM 895 CD LYS A 58 -10.372 -1.806 -2.404 1.00 0.00 C ATOM 896 CE LYS A 58 -11.344 -2.344 -3.467 1.00 0.00 C ATOM 897 NZ LYS A 58 -11.059 -3.740 -3.854 1.00 0.00 N ATOM 0 H LYS A 58 -7.233 -0.028 0.184 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.274 -0.537 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.208 -2.340 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.522 -1.440 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.655 -1.546 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.733 -3.117 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.595 -2.276 -1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.536 -0.736 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.363 -2.279 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.294 -1.710 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.735 -4.043 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.091 -3.806 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.150 -4.357 -3.021 1.00 0.00 H new ATOM 911 N LYS A 59 -8.998 1.296 -2.422 1.00 0.00 N ATOM 912 CA LYS A 59 -9.744 2.304 -3.149 1.00 0.00 C ATOM 913 C LYS A 59 -8.775 3.279 -3.811 1.00 0.00 C ATOM 914 O LYS A 59 -8.843 3.458 -5.021 1.00 0.00 O ATOM 915 CB LYS A 59 -10.731 2.979 -2.189 1.00 0.00 C ATOM 916 CG LYS A 59 -12.022 3.504 -2.821 1.00 0.00 C ATOM 917 CD LYS A 59 -11.818 4.826 -3.570 1.00 0.00 C ATOM 918 CE LYS A 59 -13.154 5.381 -4.084 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.081 5.733 -2.985 1.00 0.00 N ATOM 0 H LYS A 59 -9.417 1.076 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.331 1.859 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.995 2.265 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.223 3.811 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.414 2.757 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.772 3.644 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.349 5.554 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.138 4.672 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.966 6.265 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.626 4.642 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.849 6.328 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.482 4.864 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.564 6.255 -2.249 1.00 0.00 H new ATOM 933 N GLN A 60 -7.841 3.860 -3.054 1.00 0.00 N ATOM 934 CA GLN A 60 -6.838 4.744 -3.645 1.00 0.00 C ATOM 935 C GLN A 60 -5.985 4.018 -4.695 1.00 0.00 C ATOM 936 O GLN A 60 -5.760 4.546 -5.782 1.00 0.00 O ATOM 937 CB GLN A 60 -5.947 5.337 -2.554 1.00 0.00 C ATOM 938 CG GLN A 60 -6.677 6.376 -1.687 1.00 0.00 C ATOM 939 CD GLN A 60 -6.837 7.706 -2.413 1.00 0.00 C ATOM 940 OE1 GLN A 60 -5.901 8.497 -2.496 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.014 7.959 -2.979 1.00 0.00 N ATOM 0 H GLN A 60 -7.760 3.736 -2.045 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.367 5.550 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.578 4.534 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.077 5.803 -3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.659 5.993 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.123 6.531 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.775 7.285 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.155 8.826 -3.497 1.00 0.00 H new ATOM 950 N ILE A 61 -5.480 2.826 -4.374 1.00 0.00 N ATOM 951 CA ILE A 61 -4.608 2.067 -5.263 1.00 0.00 C ATOM 952 C ILE A 61 -5.371 1.580 -6.499 1.00 0.00 C ATOM 953 O ILE A 61 -5.079 2.025 -7.608 1.00 0.00 O ATOM 954 CB ILE A 61 -3.900 0.948 -4.493 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.971 1.637 -3.478 1.00 0.00 C ATOM 956 CG2 ILE A 61 -3.099 0.061 -5.464 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.312 0.643 -2.534 1.00 0.00 C ATOM 0 H ILE A 61 -5.667 2.361 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.823 2.721 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.612 0.300 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.201 2.193 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.543 2.361 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.600 -0.731 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.776 -0.381 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.354 0.667 -5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.666 1.177 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.080 0.105 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.717 -0.066 -3.110 1.00 0.00 H new ATOM 969 N GLU A 62 -6.346 0.681 -6.333 1.00 0.00 N ATOM 970 CA GLU A 62 -7.223 0.245 -7.399 1.00 0.00 C ATOM 971 C GLU A 62 -7.766 1.425 -8.219 1.00 0.00 C ATOM 972 O GLU A 62 -7.861 1.296 -9.437 1.00 0.00 O ATOM 973 CB GLU A 62 -8.357 -0.587 -6.771 1.00 0.00 C ATOM 974 CG GLU A 62 -8.342 -2.059 -7.187 1.00 0.00 C ATOM 975 CD GLU A 62 -9.374 -2.854 -6.399 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.587 -2.688 -6.646 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.967 -3.575 -5.461 1.00 0.00 O ATOM 0 H GLU A 62 -6.543 0.235 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.663 -0.368 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.283 -0.525 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.315 -0.149 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.549 -2.142 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.350 -2.478 -7.022 1.00 0.00 H new ATOM 984 N ALA A 63 -8.091 2.575 -7.604 1.00 0.00 N ATOM 985 CA ALA A 63 -8.559 3.733 -8.370 1.00 0.00 C ATOM 986 C ALA A 63 -7.581 4.147 -9.470 1.00 0.00 C ATOM 987 O ALA A 63 -8.015 4.627 -10.515 1.00 0.00 O ATOM 988 CB ALA A 63 -8.833 4.936 -7.467 1.00 0.00 C ATOM 0 H ALA A 63 -8.038 2.723 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.489 3.414 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.178 5.774 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.599 4.676 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.917 5.217 -6.947 1.00 0.00 H new ATOM 994 N MET A 64 -6.272 3.986 -9.251 1.00 0.00 N ATOM 995 CA MET A 64 -5.292 4.235 -10.289 1.00 0.00 C ATOM 996 C MET A 64 -5.559 3.339 -11.503 1.00 0.00 C ATOM 997 O MET A 64 -5.473 3.792 -12.642 1.00 0.00 O ATOM 998 CB MET A 64 -3.890 3.962 -9.756 1.00 0.00 C ATOM 999 CG MET A 64 -3.468 4.800 -8.548 1.00 0.00 C ATOM 1000 SD MET A 64 -3.683 6.588 -8.727 1.00 0.00 S ATOM 1001 CE MET A 64 -2.598 7.166 -7.410 1.00 0.00 C ATOM 0 H MET A 64 -5.876 3.684 -8.361 1.00 0.00 H new ATOM 0 HA MET A 64 -5.369 5.279 -10.594 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.822 2.908 -9.486 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.175 4.132 -10.561 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.038 4.468 -7.680 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.418 4.597 -8.336 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.457 8.243 -7.501 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.047 6.939 -6.443 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.633 6.666 -7.488 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.855 2.063 -11.244 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.175 1.067 -12.258 1.00 0.00 C ATOM 1013 C GLY A 65 -5.480 -0.260 -11.967 1.00 0.00 C ATOM 1014 O GLY A 65 -5.823 -1.286 -12.549 1.00 0.00 O ATOM 0 H GLY A 65 -5.878 1.688 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.254 0.915 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.871 1.432 -13.239 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.485 -0.247 -11.078 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.652 -1.402 -10.799 1.00 0.00 C ATOM 1020 C PHE A 66 -4.382 -2.326 -9.825 1.00 0.00 C ATOM 1021 O PHE A 66 -4.655 -1.898 -8.705 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.351 -0.909 -10.167 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.633 0.149 -10.978 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.117 -0.150 -12.253 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.596 1.470 -10.503 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.618 0.882 -13.066 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -1.076 2.496 -11.306 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.630 2.209 -12.603 1.00 0.00 C ATOM 0 H PHE A 66 -4.238 0.577 -10.530 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.438 -1.951 -11.716 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.569 -0.507 -9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.683 -1.759 -10.026 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.105 -1.171 -12.606 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.969 1.697 -9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.225 0.655 -14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.020 3.505 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.295 3.008 -13.248 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.689 -3.579 -10.193 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.282 -4.509 -9.253 1.00 0.00 C ATOM 1040 C PRO A 67 -4.251 -4.823 -8.167 1.00 0.00 C ATOM 1041 O PRO A 67 -3.069 -5.001 -8.473 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.663 -5.738 -10.081 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.655 -5.721 -11.229 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.380 -4.233 -11.455 1.00 0.00 C ATOM 0 HA PRO A 67 -6.165 -4.121 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.590 -6.655 -9.496 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.688 -5.674 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.744 -6.261 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.061 -6.193 -12.124 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.341 -4.066 -11.738 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.998 -3.839 -12.262 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.692 -4.864 -6.905 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.842 -5.178 -5.770 1.00 0.00 C ATOM 1054 C ALA A 68 -4.569 -6.126 -4.824 1.00 0.00 C ATOM 1055 O ALA A 68 -5.765 -5.962 -4.589 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.443 -3.907 -5.026 1.00 0.00 C ATOM 0 H ALA A 68 -5.661 -4.677 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.937 -5.661 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.807 -4.165 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.899 -3.246 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.338 -3.400 -4.665 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.851 -7.098 -4.257 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.415 -8.092 -3.362 1.00 0.00 C ATOM 1064 C PHE A 69 -3.857 -7.860 -1.962 1.00 0.00 C ATOM 1065 O PHE A 69 -2.856 -8.472 -1.584 1.00 0.00 O ATOM 1066 CB PHE A 69 -4.142 -9.495 -3.895 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.562 -9.718 -5.338 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.911 -9.564 -5.707 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -3.608 -10.058 -6.319 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.308 -9.771 -7.039 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -4.006 -10.276 -7.648 1.00 0.00 C ATOM 1072 CZ PHE A 69 -5.358 -10.139 -8.008 1.00 0.00 C ATOM 0 H PHE A 69 -2.849 -7.212 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.499 -7.996 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.076 -9.702 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.661 -10.216 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.644 -9.286 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.567 -10.151 -6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.344 -9.647 -7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.274 -10.549 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.667 -10.316 -9.028 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.509 -6.958 -1.224 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.191 -6.549 0.140 1.00 0.00 C ATOM 1084 C VAL A 70 -4.600 -7.624 1.157 1.00 0.00 C ATOM 1085 O VAL A 70 -5.771 -7.725 1.513 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.737 -5.137 0.420 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.190 -4.951 0.008 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.554 -4.744 1.886 1.00 0.00 C ATOM 0 H VAL A 70 -5.324 -6.465 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.110 -6.467 0.257 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.143 -4.472 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.505 -3.933 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.291 -5.131 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.816 -5.655 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.951 -3.742 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.087 -5.451 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.493 -4.759 2.137 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.652 -8.463 1.601 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.943 -9.595 2.475 1.00 0.00 C ATOM 1100 C LYS A 71 -2.723 -10.071 3.277 1.00 0.00 C ATOM 1101 O LYS A 71 -2.298 -11.218 3.136 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.618 -10.715 1.686 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.820 -11.036 0.435 1.00 0.00 C ATOM 1104 CD LYS A 71 -4.492 -12.146 -0.386 1.00 0.00 C ATOM 1105 CE LYS A 71 -3.550 -13.322 -0.672 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.404 -14.206 0.503 1.00 0.00 N ATOM 0 H LYS A 71 -2.665 -8.371 1.361 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.648 -9.253 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.705 -11.606 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.630 -10.417 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.720 -10.139 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.813 -11.346 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.368 -12.510 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.846 -11.731 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.933 -13.898 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.571 -12.941 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.760 -14.989 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.015 -13.663 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.334 -14.590 0.767 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.162 -9.198 4.117 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.110 -9.498 5.085 1.00 0.00 C ATOM 1122 C LYS A 72 -1.210 -8.418 6.156 1.00 0.00 C ATOM 1123 O LYS A 72 -1.471 -7.276 5.799 1.00 0.00 O ATOM 1124 CB LYS A 72 0.269 -9.433 4.406 1.00 0.00 C ATOM 1125 CG LYS A 72 0.827 -10.809 4.012 1.00 0.00 C ATOM 1126 CD LYS A 72 1.761 -11.421 5.073 1.00 0.00 C ATOM 1127 CE LYS A 72 3.242 -11.101 4.806 1.00 0.00 C ATOM 1128 NZ LYS A 72 4.139 -11.951 5.615 1.00 0.00 N ATOM 0 H LYS A 72 -2.443 -8.218 4.140 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.226 -10.497 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.196 -8.811 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.973 -8.944 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.004 -11.492 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.370 -10.716 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.483 -11.046 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.624 -12.502 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.460 -11.245 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.434 -10.052 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.129 -11.707 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.948 -11.795 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.973 -12.951 5.382 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.020 -8.762 7.431 1.00 0.00 N ATOM 1143 CA ILE A 73 -0.923 -7.802 8.525 1.00 0.00 C ATOM 1144 C ILE A 73 0.311 -8.213 9.327 1.00 0.00 C ATOM 1145 O ILE A 73 0.201 -8.853 10.371 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.224 -7.775 9.369 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.429 -7.249 8.563 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.065 -6.852 10.593 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.227 -8.332 7.827 1.00 0.00 C ATOM 0 H ILE A 73 -0.928 -9.732 7.734 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.813 -6.779 8.166 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.403 -8.806 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.099 -6.720 9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.072 -6.521 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.990 -6.849 11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.249 -7.214 11.218 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.843 -5.839 10.258 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.054 -7.871 7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.576 -8.847 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.619 -9.049 8.549 1.00 0.00 H new