USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot 45:sc= 0.0122 USER MOD Set 1.2: A 25 THR OG1 : rot -69:sc= 1.24 USER MOD Set 1.3: A 27 CYS SG : rot -91:sc= 0.936 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0377) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 120:sc= -1.17 USER MOD Single : A 15 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.65) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 108:sc= 0.243 USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 0.518 (180deg=0.219) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -77:sc= -0.787 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 130:sc= -0.139 USER MOD Single : A 37 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.71) USER MOD Single : A 39 ASN : amide:sc= 0.929 K(o=0.93,f=-0.16) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.233 K(o=-0.23,f=-8!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.0043) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0011) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.095 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 1.05 (180deg=-0.05) USER MOD Single : A 57 THR OG1 : rot -47:sc= 0.444 USER MOD Single : A 59 THR OG1 : rot -78:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 17.710 -7.424 0.618 1.00 0.00 N ATOM 2 CA ILE A 6 17.480 -8.158 -0.613 1.00 0.00 C ATOM 3 C ILE A 6 17.283 -7.210 -1.801 1.00 0.00 C ATOM 4 O ILE A 6 16.559 -7.509 -2.750 1.00 0.00 O ATOM 5 CB ILE A 6 16.313 -9.124 -0.372 1.00 0.00 C ATOM 6 CG1 ILE A 6 16.314 -10.213 -1.441 1.00 0.00 C ATOM 7 CG2 ILE A 6 14.980 -8.374 -0.316 1.00 0.00 C ATOM 8 CD1 ILE A 6 15.265 -11.291 -1.161 1.00 0.00 C ATOM 0 HA ILE A 6 18.354 -8.749 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 6 16.442 -9.604 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.122 -9.765 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.301 -10.672 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.170 -9.083 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 6 15.005 -7.648 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.814 -7.856 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 6 15.300 -12.046 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 6 15.472 -11.759 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.274 -10.837 -1.138 1.00 0.00 H new ATOM 19 N LYS A 7 17.934 -6.046 -1.748 1.00 0.00 N ATOM 20 CA LYS A 7 17.794 -5.008 -2.749 1.00 0.00 C ATOM 21 C LYS A 7 18.293 -5.516 -4.096 1.00 0.00 C ATOM 22 O LYS A 7 19.463 -5.873 -4.235 1.00 0.00 O ATOM 23 CB LYS A 7 18.586 -3.790 -2.279 1.00 0.00 C ATOM 24 CG LYS A 7 17.942 -3.199 -1.024 1.00 0.00 C ATOM 25 CD LYS A 7 18.830 -2.104 -0.436 1.00 0.00 C ATOM 26 CE LYS A 7 18.215 -1.567 0.857 1.00 0.00 C ATOM 27 NZ LYS A 7 17.005 -0.765 0.591 1.00 0.00 N ATOM 0 H LYS A 7 18.579 -5.803 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 7 16.748 -4.728 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.617 -4.075 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.618 -3.040 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.962 -2.789 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.784 -3.984 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.826 -2.500 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.947 -1.294 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.963 -2.400 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.949 -0.956 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.683 -0.320 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.224 -0.028 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.254 -1.382 0.220 1.00 0.00 H new ATOM 41 N ARG A 8 17.400 -5.547 -5.086 1.00 0.00 N ATOM 42 CA ARG A 8 17.668 -6.032 -6.424 1.00 0.00 C ATOM 43 C ARG A 8 17.935 -4.891 -7.399 1.00 0.00 C ATOM 44 O ARG A 8 17.735 -5.028 -8.604 1.00 0.00 O ATOM 45 CB ARG A 8 16.477 -6.898 -6.839 1.00 0.00 C ATOM 46 CG ARG A 8 16.492 -8.292 -6.200 1.00 0.00 C ATOM 47 CD ARG A 8 17.736 -9.093 -6.588 1.00 0.00 C ATOM 48 NE ARG A 8 17.846 -9.252 -8.045 1.00 0.00 N ATOM 49 CZ ARG A 8 17.223 -10.201 -8.752 1.00 0.00 C ATOM 50 NH1 ARG A 8 16.435 -11.093 -8.158 1.00 0.00 N ATOM 51 NH2 ARG A 8 17.387 -10.263 -10.071 1.00 0.00 N ATOM 0 H ARG A 8 16.441 -5.222 -4.966 1.00 0.00 H new ATOM 0 HA ARG A 8 18.579 -6.630 -6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.553 -6.389 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 8 16.473 -7.003 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.450 -8.193 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.600 -8.839 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.626 -8.591 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.699 -10.075 -6.116 1.00 0.00 H new ATOM 0 HE ARG A 8 18.438 -8.594 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.298 -11.060 -7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.968 -11.810 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.988 -9.587 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.912 -10.987 -10.611 1.00 0.00 H new ATOM 65 N LYS A 9 18.388 -3.759 -6.857 1.00 0.00 N ATOM 66 CA LYS A 9 18.677 -2.531 -7.600 1.00 0.00 C ATOM 67 C LYS A 9 17.533 -2.124 -8.531 1.00 0.00 C ATOM 68 O LYS A 9 17.763 -1.495 -9.561 1.00 0.00 O ATOM 69 CB LYS A 9 20.016 -2.655 -8.333 1.00 0.00 C ATOM 70 CG LYS A 9 21.144 -2.936 -7.340 1.00 0.00 C ATOM 71 CD LYS A 9 22.487 -2.980 -8.068 1.00 0.00 C ATOM 72 CE LYS A 9 23.604 -3.252 -7.062 1.00 0.00 C ATOM 73 NZ LYS A 9 24.920 -3.320 -7.729 1.00 0.00 N ATOM 0 H LYS A 9 18.570 -3.669 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 9 18.765 -1.718 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.962 -3.458 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 9 20.225 -1.735 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.163 -2.163 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.965 -3.884 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.473 -3.758 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.666 -2.034 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.616 -2.466 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.408 -4.190 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.659 -3.506 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.914 -4.086 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.115 -2.416 -8.204 1.00 0.00 H new ATOM 87 N ASP A 10 16.302 -2.485 -8.166 1.00 0.00 N ATOM 88 CA ASP A 10 15.129 -2.220 -8.984 1.00 0.00 C ATOM 89 C ASP A 10 13.880 -2.118 -8.137 1.00 0.00 C ATOM 90 O ASP A 10 12.966 -1.367 -8.469 1.00 0.00 O ATOM 91 CB ASP A 10 14.989 -3.342 -10.012 1.00 0.00 C ATOM 92 CG ASP A 10 13.877 -3.049 -11.016 1.00 0.00 C ATOM 93 OD1 ASP A 10 14.062 -2.106 -11.819 1.00 0.00 O ATOM 94 OD2 ASP A 10 12.852 -3.766 -10.974 1.00 0.00 O ATOM 0 H ASP A 10 16.095 -2.970 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 10 15.254 -1.263 -9.491 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.933 -3.471 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.780 -4.281 -9.500 1.00 0.00 H new ATOM 99 N ALA A 11 13.838 -2.872 -7.039 1.00 0.00 N ATOM 100 CA ALA A 11 12.727 -2.780 -6.129 1.00 0.00 C ATOM 101 C ALA A 11 13.147 -3.255 -4.748 1.00 0.00 C ATOM 102 O ALA A 11 13.277 -4.448 -4.474 1.00 0.00 O ATOM 103 CB ALA A 11 11.566 -3.576 -6.710 1.00 0.00 C ATOM 0 H ALA A 11 14.558 -3.543 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 11 12.399 -1.748 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.712 -3.519 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.290 -3.162 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.864 -4.617 -6.832 1.00 0.00 H new ATOM 109 N SER A 12 13.350 -2.260 -3.887 1.00 0.00 N ATOM 110 CA SER A 12 13.641 -2.399 -2.471 1.00 0.00 C ATOM 111 C SER A 12 12.625 -3.290 -1.755 1.00 0.00 C ATOM 112 O SER A 12 11.558 -3.573 -2.296 1.00 0.00 O ATOM 113 CB SER A 12 13.627 -0.985 -1.895 1.00 0.00 C ATOM 114 OG SER A 12 13.191 -0.897 -0.559 1.00 0.00 O ATOM 0 H SER A 12 13.313 -1.284 -4.180 1.00 0.00 H new ATOM 0 HA SER A 12 14.606 -2.884 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.633 -0.570 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.983 -0.361 -2.515 1.00 0.00 H new ATOM 0 HG SER A 12 13.905 -0.516 -0.006 1.00 0.00 H new ATOM 120 N PRO A 13 12.950 -3.732 -0.531 1.00 0.00 N ATOM 121 CA PRO A 13 12.083 -4.566 0.284 1.00 0.00 C ATOM 122 C PRO A 13 10.811 -3.811 0.632 1.00 0.00 C ATOM 123 O PRO A 13 9.758 -4.392 0.887 1.00 0.00 O ATOM 124 CB PRO A 13 12.874 -4.804 1.570 1.00 0.00 C ATOM 125 CG PRO A 13 14.327 -4.561 1.175 1.00 0.00 C ATOM 126 CD PRO A 13 14.176 -3.428 0.177 1.00 0.00 C ATOM 0 HA PRO A 13 11.804 -5.487 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.559 -4.124 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.728 -5.818 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.944 -4.278 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.785 -5.444 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.116 -2.462 0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.027 -3.382 -0.503 1.00 0.00 H new ATOM 134 N GLU A 14 10.955 -2.491 0.634 1.00 0.00 N ATOM 135 CA GLU A 14 9.878 -1.559 0.876 1.00 0.00 C ATOM 136 C GLU A 14 9.232 -1.169 -0.439 1.00 0.00 C ATOM 137 O GLU A 14 8.014 -1.162 -0.549 1.00 0.00 O ATOM 138 CB GLU A 14 10.457 -0.308 1.521 1.00 0.00 C ATOM 139 CG GLU A 14 11.283 -0.667 2.751 1.00 0.00 C ATOM 140 CD GLU A 14 11.816 0.582 3.450 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.005 1.278 4.099 1.00 0.00 O ATOM 142 OE2 GLU A 14 13.038 0.833 3.333 1.00 0.00 O ATOM 0 H GLU A 14 11.851 -2.035 0.462 1.00 0.00 H new ATOM 0 HA GLU A 14 9.134 -2.020 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.080 0.223 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.650 0.368 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.671 -1.242 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.117 -1.305 2.457 1.00 0.00 H new ATOM 149 N GLN A 15 10.061 -0.845 -1.435 1.00 0.00 N ATOM 150 CA GLN A 15 9.590 -0.341 -2.713 1.00 0.00 C ATOM 151 C GLN A 15 8.885 -1.424 -3.524 1.00 0.00 C ATOM 152 O GLN A 15 8.227 -1.109 -4.513 1.00 0.00 O ATOM 153 CB GLN A 15 10.782 0.211 -3.498 1.00 0.00 C ATOM 154 CG GLN A 15 11.442 1.431 -2.843 1.00 0.00 C ATOM 155 CD GLN A 15 10.441 2.497 -2.426 1.00 0.00 C ATOM 156 OE1 GLN A 15 10.196 3.463 -3.142 1.00 0.00 O ATOM 157 NE2 GLN A 15 9.864 2.309 -1.245 1.00 0.00 N ATOM 0 H GLN A 15 11.076 -0.927 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 15 8.863 0.449 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.527 -0.577 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.451 0.483 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.004 1.106 -1.967 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.159 1.866 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.101 1.489 -0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.184 2.984 -0.897 1.00 0.00 H new ATOM 166 N GLU A 16 9.001 -2.691 -3.127 1.00 0.00 N ATOM 167 CA GLU A 16 8.317 -3.756 -3.845 1.00 0.00 C ATOM 168 C GLU A 16 6.855 -3.786 -3.425 1.00 0.00 C ATOM 169 O GLU A 16 6.027 -4.405 -4.091 1.00 0.00 O ATOM 170 CB GLU A 16 8.999 -5.105 -3.612 1.00 0.00 C ATOM 171 CG GLU A 16 8.899 -5.524 -2.147 1.00 0.00 C ATOM 172 CD GLU A 16 9.415 -6.947 -1.947 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.654 -7.119 -1.933 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.567 -7.857 -1.808 1.00 0.00 O ATOM 0 H GLU A 16 9.553 -2.998 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 16 8.369 -3.559 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.537 -5.864 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.047 -5.042 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.474 -4.835 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.862 -5.460 -1.817 1.00 0.00 H new ATOM 181 N ALA A 17 6.546 -3.110 -2.316 1.00 0.00 N ATOM 182 CA ALA A 17 5.178 -2.910 -1.899 1.00 0.00 C ATOM 183 C ALA A 17 4.791 -1.453 -2.086 1.00 0.00 C ATOM 184 O ALA A 17 3.771 -1.174 -2.705 1.00 0.00 O ATOM 185 CB ALA A 17 4.990 -3.389 -0.464 1.00 0.00 C ATOM 0 H ALA A 17 7.239 -2.693 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 17 4.509 -3.505 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.955 -3.233 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.231 -4.450 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.650 -2.827 0.197 1.00 0.00 H new ATOM 191 N ILE A 18 5.588 -0.520 -1.565 1.00 0.00 N ATOM 192 CA ILE A 18 5.290 0.902 -1.641 1.00 0.00 C ATOM 193 C ILE A 18 5.096 1.363 -3.067 1.00 0.00 C ATOM 194 O ILE A 18 4.110 2.035 -3.339 1.00 0.00 O ATOM 195 CB ILE A 18 6.421 1.700 -0.987 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.124 1.711 0.505 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.521 3.142 -1.510 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.319 2.232 1.296 1.00 0.00 C ATOM 0 H ILE A 18 6.459 -0.734 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 18 4.355 1.075 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 18 7.378 1.233 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.253 2.336 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.875 0.703 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.341 3.655 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.705 3.127 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.587 3.667 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.080 2.230 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.182 1.591 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.550 3.249 0.978 1.00 0.00 H new ATOM 210 N GLU A 19 5.995 1.029 -3.989 1.00 0.00 N ATOM 211 CA GLU A 19 5.855 1.562 -5.334 1.00 0.00 C ATOM 212 C GLU A 19 4.750 0.852 -6.099 1.00 0.00 C ATOM 213 O GLU A 19 4.221 1.395 -7.068 1.00 0.00 O ATOM 214 CB GLU A 19 7.185 1.505 -6.069 1.00 0.00 C ATOM 215 CG GLU A 19 8.224 2.251 -5.240 1.00 0.00 C ATOM 216 CD GLU A 19 9.368 2.755 -6.115 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.210 1.921 -6.520 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.401 3.978 -6.375 1.00 0.00 O ATOM 0 H GLU A 19 6.796 0.417 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 19 5.562 2.609 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.491 0.470 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.092 1.956 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.753 3.093 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.617 1.592 -4.466 1.00 0.00 H new ATOM 225 N SER A 20 4.390 -0.359 -5.670 1.00 0.00 N ATOM 226 CA SER A 20 3.330 -1.107 -6.326 1.00 0.00 C ATOM 227 C SER A 20 2.001 -0.586 -5.803 1.00 0.00 C ATOM 228 O SER A 20 1.003 -0.515 -6.515 1.00 0.00 O ATOM 229 CB SER A 20 3.488 -2.589 -6.002 1.00 0.00 C ATOM 230 OG SER A 20 2.631 -3.353 -6.822 1.00 0.00 O ATOM 0 H SER A 20 4.817 -0.836 -4.876 1.00 0.00 H new ATOM 0 HA SER A 20 3.375 -0.984 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.522 -2.896 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.256 -2.768 -4.952 1.00 0.00 H new ATOM 0 HG SER A 20 2.738 -4.304 -6.611 1.00 0.00 H new ATOM 236 N PHE A 21 2.023 -0.218 -4.526 1.00 0.00 N ATOM 237 CA PHE A 21 0.881 0.259 -3.796 1.00 0.00 C ATOM 238 C PHE A 21 0.575 1.691 -4.185 1.00 0.00 C ATOM 239 O PHE A 21 -0.488 1.988 -4.718 1.00 0.00 O ATOM 240 CB PHE A 21 1.226 0.169 -2.317 1.00 0.00 C ATOM 241 CG PHE A 21 0.057 0.367 -1.400 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.391 1.654 -1.089 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.571 -0.757 -0.862 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.474 1.823 -0.213 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.652 -0.591 0.012 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.100 0.697 0.340 1.00 0.00 C ATOM 0 H PHE A 21 2.872 -0.249 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.003 -0.338 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.669 -0.807 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.985 0.917 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.095 2.516 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.226 -1.748 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.823 2.815 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.142 -1.456 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.929 0.822 1.020 1.00 0.00 H new ATOM 256 N THR A 22 1.530 2.578 -3.912 1.00 0.00 N ATOM 257 CA THR A 22 1.412 3.989 -4.211 1.00 0.00 C ATOM 258 C THR A 22 1.079 4.260 -5.681 1.00 0.00 C ATOM 259 O THR A 22 0.434 5.262 -5.979 1.00 0.00 O ATOM 260 CB THR A 22 2.734 4.625 -3.795 1.00 0.00 C ATOM 261 OG1 THR A 22 2.550 5.997 -3.552 1.00 0.00 O ATOM 262 CG2 THR A 22 3.799 4.442 -4.873 1.00 0.00 C ATOM 0 H THR A 22 2.415 2.326 -3.472 1.00 0.00 H new ATOM 0 HA THR A 22 0.577 4.424 -3.662 1.00 0.00 H new ATOM 0 HB THR A 22 3.073 4.129 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.739 6.129 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.730 4.906 -4.547 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.964 3.378 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.464 4.911 -5.798 1.00 0.00 H new ATOM 270 N SER A 23 1.501 3.393 -6.616 1.00 0.00 N ATOM 271 CA SER A 23 1.145 3.537 -8.014 1.00 0.00 C ATOM 272 C SER A 23 -0.249 2.991 -8.310 1.00 0.00 C ATOM 273 O SER A 23 -0.883 3.434 -9.266 1.00 0.00 O ATOM 274 CB SER A 23 2.172 2.761 -8.822 1.00 0.00 C ATOM 275 OG SER A 23 3.375 3.493 -8.927 1.00 0.00 O ATOM 0 H SER A 23 2.091 2.586 -6.415 1.00 0.00 H new ATOM 0 HA SER A 23 1.136 4.595 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.365 1.799 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.778 2.552 -9.817 1.00 0.00 H new ATOM 0 HG SER A 23 4.062 3.075 -8.367 1.00 0.00 H new ATOM 281 N LEU A 24 -0.732 2.040 -7.507 1.00 0.00 N ATOM 282 CA LEU A 24 -2.059 1.462 -7.673 1.00 0.00 C ATOM 283 C LEU A 24 -3.124 2.230 -6.885 1.00 0.00 C ATOM 284 O LEU A 24 -4.306 2.160 -7.217 1.00 0.00 O ATOM 285 CB LEU A 24 -1.967 0.004 -7.211 1.00 0.00 C ATOM 286 CG LEU A 24 -3.270 -0.788 -7.338 1.00 0.00 C ATOM 287 CD1 LEU A 24 -3.747 -0.853 -8.787 1.00 0.00 C ATOM 288 CD2 LEU A 24 -3.007 -2.205 -6.834 1.00 0.00 C ATOM 0 H LEU A 24 -0.209 1.651 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.368 1.522 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.193 -0.499 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.646 -0.014 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.046 -0.294 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.675 -1.423 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.920 0.157 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.987 -1.339 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.920 -2.795 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.225 -2.666 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.688 -2.167 -5.792 1.00 0.00 H new ATOM 300 N THR A 25 -2.717 2.963 -5.845 1.00 0.00 N ATOM 301 CA THR A 25 -3.627 3.737 -5.007 1.00 0.00 C ATOM 302 C THR A 25 -3.454 5.223 -5.244 1.00 0.00 C ATOM 303 O THR A 25 -4.194 6.031 -4.681 1.00 0.00 O ATOM 304 CB THR A 25 -3.407 3.410 -3.530 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.148 3.907 -3.134 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.441 1.906 -3.280 1.00 0.00 C ATOM 0 H THR A 25 -1.740 3.034 -5.562 1.00 0.00 H new ATOM 0 HA THR A 25 -4.646 3.463 -5.279 1.00 0.00 H new ATOM 0 HB THR A 25 -4.209 3.873 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.440 3.385 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.281 1.710 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.411 1.509 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.655 1.423 -3.861 1.00 0.00 H new ATOM 314 N LYS A 26 -2.481 5.584 -6.088 1.00 0.00 N ATOM 315 CA LYS A 26 -2.345 6.936 -6.595 1.00 0.00 C ATOM 316 C LYS A 26 -2.055 7.938 -5.475 1.00 0.00 C ATOM 317 O LYS A 26 -2.159 9.149 -5.682 1.00 0.00 O ATOM 318 CB LYS A 26 -3.612 7.260 -7.404 1.00 0.00 C ATOM 319 CG LYS A 26 -4.096 6.053 -8.229 1.00 0.00 C ATOM 320 CD LYS A 26 -3.196 5.786 -9.436 1.00 0.00 C ATOM 321 CE LYS A 26 -3.530 4.415 -10.026 1.00 0.00 C ATOM 322 NZ LYS A 26 -2.752 4.166 -11.254 1.00 0.00 N ATOM 0 H LYS A 26 -1.770 4.940 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.481 7.015 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.404 7.576 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.411 8.098 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.123 5.167 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.116 6.232 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.338 6.562 -10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.148 5.820 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.317 3.637 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.596 4.360 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.250 3.470 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.644 5.055 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.813 3.797 -11.001 1.00 0.00 H new ATOM 336 N CYS A 27 -1.696 7.435 -4.289 1.00 0.00 N ATOM 337 CA CYS A 27 -1.378 8.253 -3.131 1.00 0.00 C ATOM 338 C CYS A 27 0.101 8.645 -3.137 1.00 0.00 C ATOM 339 O CYS A 27 0.804 8.440 -4.125 1.00 0.00 O ATOM 340 CB CYS A 27 -1.752 7.489 -1.855 1.00 0.00 C ATOM 341 SG CYS A 27 -0.594 6.123 -1.581 1.00 0.00 S ATOM 0 H CYS A 27 -1.619 6.433 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.956 9.176 -3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.737 8.165 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.768 7.103 -1.938 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.046 5.049 -2.156 1.00 0.00 H new ATOM 347 N ASP A 28 0.572 9.211 -2.025 1.00 0.00 N ATOM 348 CA ASP A 28 1.975 9.559 -1.856 1.00 0.00 C ATOM 349 C ASP A 28 2.734 8.355 -1.282 1.00 0.00 C ATOM 350 O ASP A 28 2.175 7.618 -0.470 1.00 0.00 O ATOM 351 CB ASP A 28 2.065 10.788 -0.944 1.00 0.00 C ATOM 352 CG ASP A 28 3.505 11.248 -0.755 1.00 0.00 C ATOM 353 OD1 ASP A 28 4.164 10.692 0.150 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.932 12.148 -1.513 1.00 0.00 O ATOM 0 H ASP A 28 -0.011 9.439 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 28 2.435 9.808 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.477 11.601 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.628 10.553 0.027 1.00 0.00 H new ATOM 359 N PRO A 29 3.998 8.131 -1.682 1.00 0.00 N ATOM 360 CA PRO A 29 4.806 6.998 -1.239 1.00 0.00 C ATOM 361 C PRO A 29 5.025 6.922 0.273 1.00 0.00 C ATOM 362 O PRO A 29 5.565 5.929 0.756 1.00 0.00 O ATOM 363 CB PRO A 29 6.149 7.150 -1.958 1.00 0.00 C ATOM 364 CG PRO A 29 5.809 7.988 -3.187 1.00 0.00 C ATOM 365 CD PRO A 29 4.737 8.926 -2.643 1.00 0.00 C ATOM 0 HA PRO A 29 4.282 6.073 -1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.887 7.646 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.566 6.182 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.676 8.532 -3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.437 7.376 -4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.181 9.803 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.087 9.287 -3.440 1.00 0.00 H new ATOM 373 N LYS A 30 4.619 7.947 1.033 1.00 0.00 N ATOM 374 CA LYS A 30 4.728 7.928 2.486 1.00 0.00 C ATOM 375 C LYS A 30 3.405 7.526 3.134 1.00 0.00 C ATOM 376 O LYS A 30 3.379 7.270 4.335 1.00 0.00 O ATOM 377 CB LYS A 30 5.178 9.302 2.994 1.00 0.00 C ATOM 378 CG LYS A 30 6.468 9.845 2.366 1.00 0.00 C ATOM 379 CD LYS A 30 7.731 9.059 2.722 1.00 0.00 C ATOM 380 CE LYS A 30 7.897 7.803 1.867 1.00 0.00 C ATOM 381 NZ LYS A 30 9.224 7.189 2.070 1.00 0.00 N ATOM 0 H LYS A 30 4.210 8.802 0.657 1.00 0.00 H new ATOM 0 HA LYS A 30 5.474 7.183 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.376 10.018 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.316 9.244 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.354 9.852 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.601 10.881 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.603 9.700 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.695 8.777 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.118 7.083 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.768 8.057 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.308 6.339 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.965 7.869 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.335 6.926 3.070 1.00 0.00 H new ATOM 395 N VAL A 31 2.311 7.467 2.367 1.00 0.00 N ATOM 396 CA VAL A 31 1.020 7.040 2.898 1.00 0.00 C ATOM 397 C VAL A 31 0.871 5.535 2.707 1.00 0.00 C ATOM 398 O VAL A 31 0.347 4.848 3.581 1.00 0.00 O ATOM 399 CB VAL A 31 -0.124 7.797 2.209 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.470 7.375 2.799 1.00 0.00 C ATOM 401 CG2 VAL A 31 0.040 9.305 2.418 1.00 0.00 C ATOM 0 H VAL A 31 2.298 7.710 1.377 1.00 0.00 H new ATOM 0 HA VAL A 31 0.973 7.269 3.963 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.093 7.561 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.272 7.920 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.612 6.304 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.486 7.600 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.777 9.832 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.024 9.528 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.990 9.630 1.993 1.00 0.00 H new ATOM 411 N SER A 32 1.339 5.022 1.565 1.00 0.00 N ATOM 412 CA SER A 32 1.367 3.592 1.305 1.00 0.00 C ATOM 413 C SER A 32 2.087 2.891 2.447 1.00 0.00 C ATOM 414 O SER A 32 1.661 1.856 2.956 1.00 0.00 O ATOM 415 CB SER A 32 2.157 3.377 0.017 1.00 0.00 C ATOM 416 OG SER A 32 3.474 3.852 0.158 1.00 0.00 O ATOM 0 H SER A 32 1.706 5.590 0.801 1.00 0.00 H new ATOM 0 HA SER A 32 0.356 3.195 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.172 2.316 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.665 3.893 -0.808 1.00 0.00 H new ATOM 0 HG SER A 32 3.478 4.830 0.090 1.00 0.00 H new ATOM 422 N ARG A 33 3.199 3.505 2.831 1.00 0.00 N ATOM 423 CA ARG A 33 4.138 3.094 3.848 1.00 0.00 C ATOM 424 C ARG A 33 3.510 3.074 5.229 1.00 0.00 C ATOM 425 O ARG A 33 3.883 2.239 6.037 1.00 0.00 O ATOM 426 CB ARG A 33 5.255 4.121 3.704 1.00 0.00 C ATOM 427 CG ARG A 33 6.419 3.819 4.638 1.00 0.00 C ATOM 428 CD ARG A 33 7.685 4.546 4.182 1.00 0.00 C ATOM 429 NE ARG A 33 8.852 4.112 4.958 1.00 0.00 N ATOM 430 CZ ARG A 33 9.209 4.613 6.144 1.00 0.00 C ATOM 431 NH1 ARG A 33 8.496 5.577 6.720 1.00 0.00 N ATOM 432 NH2 ARG A 33 10.288 4.145 6.761 1.00 0.00 N ATOM 0 H ARG A 33 3.485 4.381 2.395 1.00 0.00 H new ATOM 0 HA ARG A 33 4.496 2.072 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.609 4.132 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.865 5.116 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.165 4.124 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.601 2.745 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.857 4.354 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.550 5.622 4.293 1.00 0.00 H new ATOM 0 HE ARG A 33 9.434 3.373 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.665 5.943 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.780 5.950 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.842 3.405 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.563 4.526 7.667 1.00 0.00 H new ATOM 446 N LYS A 34 2.569 3.962 5.526 1.00 0.00 N ATOM 447 CA LYS A 34 1.968 3.969 6.852 1.00 0.00 C ATOM 448 C LYS A 34 0.756 3.048 6.949 1.00 0.00 C ATOM 449 O LYS A 34 0.266 2.814 8.049 1.00 0.00 O ATOM 450 CB LYS A 34 1.575 5.395 7.227 1.00 0.00 C ATOM 451 CG LYS A 34 2.819 6.259 7.441 1.00 0.00 C ATOM 452 CD LYS A 34 2.439 7.685 7.848 1.00 0.00 C ATOM 453 CE LYS A 34 1.588 8.362 6.773 1.00 0.00 C ATOM 454 NZ LYS A 34 1.246 9.746 7.155 1.00 0.00 N ATOM 0 H LYS A 34 2.213 4.670 4.884 1.00 0.00 H new ATOM 0 HA LYS A 34 2.712 3.590 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.957 5.827 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.972 5.385 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.447 5.813 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.409 6.284 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.889 7.663 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.343 8.269 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.129 8.366 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.674 7.789 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.668 10.180 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.709 9.738 8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.119 10.297 7.282 1.00 0.00 H new ATOM 468 N TYR A 35 0.268 2.521 5.822 1.00 0.00 N ATOM 469 CA TYR A 35 -0.788 1.517 5.833 1.00 0.00 C ATOM 470 C TYR A 35 -0.167 0.135 5.705 1.00 0.00 C ATOM 471 O TYR A 35 -0.748 -0.862 6.131 1.00 0.00 O ATOM 472 CB TYR A 35 -1.748 1.745 4.659 1.00 0.00 C ATOM 473 CG TYR A 35 -2.811 2.802 4.869 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.462 4.145 5.060 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.161 2.426 4.860 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.459 5.116 5.217 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.168 3.390 5.025 1.00 0.00 C ATOM 478 CZ TYR A 35 -4.818 4.744 5.199 1.00 0.00 C ATOM 479 OH TYR A 35 -5.782 5.694 5.352 1.00 0.00 O ATOM 0 H TYR A 35 0.592 2.777 4.890 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.342 1.595 6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.160 2.018 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.242 0.801 4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.421 4.433 5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.428 1.388 4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.186 6.152 5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.207 3.095 5.019 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.449 5.601 4.640 1.00 0.00 H new ATOM 489 N LEU A 36 1.031 0.073 5.118 1.00 0.00 N ATOM 490 CA LEU A 36 1.733 -1.184 4.944 1.00 0.00 C ATOM 491 C LEU A 36 2.293 -1.640 6.286 1.00 0.00 C ATOM 492 O LEU A 36 2.323 -2.833 6.570 1.00 0.00 O ATOM 493 CB LEU A 36 2.845 -0.993 3.904 1.00 0.00 C ATOM 494 CG LEU A 36 2.312 -1.083 2.470 1.00 0.00 C ATOM 495 CD1 LEU A 36 3.366 -0.550 1.500 1.00 0.00 C ATOM 496 CD2 LEU A 36 2.008 -2.533 2.086 1.00 0.00 C ATOM 0 H LEU A 36 1.530 0.886 4.757 1.00 0.00 H new ATOM 0 HA LEU A 36 1.054 -1.957 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.319 -0.023 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.615 -1.750 4.053 1.00 0.00 H new ATOM 0 HG LEU A 36 1.397 -0.494 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.987 -0.614 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.589 0.490 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.275 -1.145 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.631 -2.567 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.919 -3.127 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.257 -2.939 2.763 1.00 0.00 H new ATOM 508 N GLN A 37 2.733 -0.699 7.123 1.00 0.00 N ATOM 509 CA GLN A 37 3.290 -1.016 8.430 1.00 0.00 C ATOM 510 C GLN A 37 2.232 -1.585 9.378 1.00 0.00 C ATOM 511 O GLN A 37 2.574 -2.123 10.430 1.00 0.00 O ATOM 512 CB GLN A 37 3.910 0.243 9.006 1.00 0.00 C ATOM 513 CG GLN A 37 5.084 0.589 8.095 1.00 0.00 C ATOM 514 CD GLN A 37 5.716 1.908 8.481 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.652 2.345 9.626 1.00 0.00 O ATOM 516 NE2 GLN A 37 6.338 2.558 7.513 1.00 0.00 N ATOM 0 H GLN A 37 2.712 0.299 6.911 1.00 0.00 H new ATOM 0 HA GLN A 37 4.050 -1.788 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.185 1.057 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.246 0.079 10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.831 -0.203 8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.742 0.637 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.371 2.164 6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.785 3.454 7.706 1.00 0.00 H new ATOM 525 N ARG A 38 0.950 -1.470 9.007 1.00 0.00 N ATOM 526 CA ARG A 38 -0.157 -1.969 9.813 1.00 0.00 C ATOM 527 C ARG A 38 -0.573 -3.370 9.378 1.00 0.00 C ATOM 528 O ARG A 38 -1.396 -4.004 10.035 1.00 0.00 O ATOM 529 CB ARG A 38 -1.346 -1.015 9.694 1.00 0.00 C ATOM 530 CG ARG A 38 -0.907 0.429 9.938 1.00 0.00 C ATOM 531 CD ARG A 38 -2.092 1.327 10.291 1.00 0.00 C ATOM 532 NE ARG A 38 -3.101 1.330 9.225 1.00 0.00 N ATOM 533 CZ ARG A 38 -3.736 2.421 8.792 1.00 0.00 C ATOM 534 NH1 ARG A 38 -3.477 3.623 9.302 1.00 0.00 N ATOM 535 NH2 ARG A 38 -4.643 2.304 7.832 1.00 0.00 N ATOM 0 H ARG A 38 0.657 -1.026 8.136 1.00 0.00 H new ATOM 0 HA ARG A 38 0.172 -2.023 10.851 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.791 -1.102 8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.115 -1.293 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.176 0.456 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.411 0.814 9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.545 0.984 11.221 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.740 2.344 10.463 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.332 0.439 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.780 3.725 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.975 4.442 8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.848 1.388 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.135 3.130 7.492 1.00 0.00 H new ATOM 549 N ASN A 39 0.003 -3.842 8.270 1.00 0.00 N ATOM 550 CA ASN A 39 -0.351 -5.115 7.668 1.00 0.00 C ATOM 551 C ASN A 39 0.900 -5.923 7.308 1.00 0.00 C ATOM 552 O ASN A 39 0.862 -6.740 6.390 1.00 0.00 O ATOM 553 CB ASN A 39 -1.236 -4.864 6.443 1.00 0.00 C ATOM 554 CG ASN A 39 -2.556 -4.201 6.822 1.00 0.00 C ATOM 555 OD1 ASN A 39 -3.544 -4.884 7.071 1.00 0.00 O ATOM 556 ND2 ASN A 39 -2.587 -2.873 6.871 1.00 0.00 N ATOM 0 H ASN A 39 0.735 -3.341 7.766 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.912 -5.711 8.388 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.703 -4.232 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.436 -5.810 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.451 -2.392 7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.747 -2.335 6.658 1.00 0.00 H new ATOM 563 N HIS A 40 2.007 -5.701 8.028 1.00 0.00 N ATOM 564 CA HIS A 40 3.276 -6.384 7.793 1.00 0.00 C ATOM 565 C HIS A 40 3.733 -6.270 6.340 1.00 0.00 C ATOM 566 O HIS A 40 4.389 -7.169 5.814 1.00 0.00 O ATOM 567 CB HIS A 40 3.177 -7.842 8.234 1.00 0.00 C ATOM 568 CG HIS A 40 2.514 -8.035 9.571 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.848 -7.365 10.751 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.488 -8.900 9.817 1.00 0.00 C ATOM 571 CE1 HIS A 40 2.006 -7.846 11.682 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.179 -8.766 11.150 1.00 0.00 N ATOM 0 H HIS A 40 2.042 -5.033 8.798 1.00 0.00 H new ATOM 0 HA HIS A 40 4.038 -5.889 8.395 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.622 -8.401 7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.180 -8.268 8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.013 -9.559 9.106 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.994 -7.536 12.717 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.450 -9.275 11.649 1.00 0.00 H new ATOM 580 N TRP A 41 3.378 -5.156 5.698 1.00 0.00 N ATOM 581 CA TRP A 41 3.678 -4.876 4.305 1.00 0.00 C ATOM 582 C TRP A 41 3.106 -5.936 3.365 1.00 0.00 C ATOM 583 O TRP A 41 3.694 -6.236 2.328 1.00 0.00 O ATOM 584 CB TRP A 41 5.173 -4.615 4.106 1.00 0.00 C ATOM 585 CG TRP A 41 5.728 -3.456 4.861 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.635 -3.253 6.195 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.469 -2.314 4.340 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.302 -2.095 6.531 1.00 0.00 N ATOM 589 CE2 TRP A 41 6.827 -1.465 5.424 1.00 0.00 C ATOM 590 CE3 TRP A 41 6.859 -1.902 3.054 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.561 -0.287 5.247 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.553 -0.705 2.864 1.00 0.00 C ATOM 593 CH2 TRP A 41 7.933 0.087 3.953 1.00 0.00 C ATOM 0 H TRP A 41 2.858 -4.405 6.152 1.00 0.00 H new ATOM 0 HA TRP A 41 3.168 -3.953 4.029 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.722 -5.511 4.395 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.358 -4.456 3.044 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.118 -3.899 6.889 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.396 -1.746 7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.619 -2.520 2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.835 0.322 6.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.800 -0.386 1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.512 0.985 3.794 1.00 0.00 H new ATOM 604 N ASN A 42 1.950 -6.503 3.727 1.00 0.00 N ATOM 605 CA ASN A 42 1.222 -7.404 2.860 1.00 0.00 C ATOM 606 C ASN A 42 0.396 -6.513 1.951 1.00 0.00 C ATOM 607 O ASN A 42 -0.484 -5.798 2.430 1.00 0.00 O ATOM 608 CB ASN A 42 0.310 -8.306 3.683 1.00 0.00 C ATOM 609 CG ASN A 42 -0.324 -9.370 2.804 1.00 0.00 C ATOM 610 OD1 ASN A 42 -1.136 -9.055 1.941 1.00 0.00 O ATOM 611 ND2 ASN A 42 0.042 -10.631 3.011 1.00 0.00 N ATOM 0 H ASN A 42 1.503 -6.344 4.630 1.00 0.00 H new ATOM 0 HA ASN A 42 1.892 -8.051 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.882 -8.779 4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.468 -7.709 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.356 -11.378 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.721 -10.852 3.739 1.00 0.00 H new ATOM 618 N ILE A 43 0.661 -6.538 0.649 1.00 0.00 N ATOM 619 CA ILE A 43 0.046 -5.546 -0.203 1.00 0.00 C ATOM 620 C ILE A 43 -1.445 -5.819 -0.414 1.00 0.00 C ATOM 621 O ILE A 43 -2.174 -4.930 -0.840 1.00 0.00 O ATOM 622 CB ILE A 43 0.829 -5.449 -1.515 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.700 -4.030 -2.074 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.317 -6.485 -2.515 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.477 -3.852 -3.376 1.00 0.00 C ATOM 0 H ILE A 43 1.273 -7.208 0.182 1.00 0.00 H new ATOM 0 HA ILE A 43 0.091 -4.574 0.288 1.00 0.00 H new ATOM 0 HB ILE A 43 1.883 -5.659 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.352 -3.803 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.063 -3.316 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.882 -6.405 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.442 -7.485 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.739 -6.305 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.356 -2.830 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.534 -4.052 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.097 -4.547 -4.125 1.00 0.00 H new ATOM 637 N ASN A 44 -1.916 -7.035 -0.125 1.00 0.00 N ATOM 638 CA ASN A 44 -3.308 -7.377 -0.356 1.00 0.00 C ATOM 639 C ASN A 44 -4.117 -6.932 0.851 1.00 0.00 C ATOM 640 O ASN A 44 -5.217 -6.397 0.721 1.00 0.00 O ATOM 641 CB ASN A 44 -3.429 -8.888 -0.562 1.00 0.00 C ATOM 642 CG ASN A 44 -4.889 -9.311 -0.588 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.355 -10.012 0.305 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.621 -8.887 -1.610 1.00 0.00 N ATOM 0 H ASN A 44 -1.352 -7.790 0.267 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.686 -6.877 -1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.946 -9.173 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.907 -9.412 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.607 -9.142 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.198 -8.305 -2.334 1.00 0.00 H new ATOM 651 N TYR A 45 -3.548 -7.159 2.030 1.00 0.00 N ATOM 652 CA TYR A 45 -4.155 -6.784 3.292 1.00 0.00 C ATOM 653 C TYR A 45 -4.152 -5.267 3.432 1.00 0.00 C ATOM 654 O TYR A 45 -5.123 -4.678 3.905 1.00 0.00 O ATOM 655 CB TYR A 45 -3.307 -7.381 4.411 1.00 0.00 C ATOM 656 CG TYR A 45 -3.179 -8.891 4.457 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.897 -9.717 3.577 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.311 -9.464 5.401 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.730 -11.108 3.622 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.144 -10.856 5.460 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.852 -11.683 4.562 1.00 0.00 C ATOM 662 OH TYR A 45 -2.688 -13.036 4.601 1.00 0.00 O ATOM 0 H TYR A 45 -2.641 -7.614 2.132 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.182 -7.148 3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.305 -6.960 4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.722 -7.049 5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.580 -9.279 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.769 -8.829 6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.275 -11.739 2.936 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.477 -11.292 6.189 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.047 -13.268 5.306 1.00 0.00 H new ATOM 672 N ALA A 46 -3.050 -4.635 3.017 1.00 0.00 N ATOM 673 CA ALA A 46 -2.879 -3.201 3.134 1.00 0.00 C ATOM 674 C ALA A 46 -3.758 -2.452 2.133 1.00 0.00 C ATOM 675 O ALA A 46 -4.145 -1.313 2.390 1.00 0.00 O ATOM 676 CB ALA A 46 -1.402 -2.883 2.926 1.00 0.00 C ATOM 0 H ALA A 46 -2.256 -5.113 2.591 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.192 -2.870 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.246 -1.807 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.809 -3.395 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.093 -3.219 1.936 1.00 0.00 H new ATOM 682 N LEU A 47 -4.081 -3.076 0.993 1.00 0.00 N ATOM 683 CA LEU A 47 -4.954 -2.439 0.015 1.00 0.00 C ATOM 684 C LEU A 47 -6.391 -2.448 0.524 1.00 0.00 C ATOM 685 O LEU A 47 -7.139 -1.509 0.266 1.00 0.00 O ATOM 686 CB LEU A 47 -4.859 -3.161 -1.331 1.00 0.00 C ATOM 687 CG LEU A 47 -3.640 -2.713 -2.148 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.484 -3.623 -3.366 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.812 -1.280 -2.653 1.00 0.00 C ATOM 0 H LEU A 47 -3.754 -4.007 0.733 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.636 -1.406 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.804 -4.236 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.767 -2.975 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.764 -2.767 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.618 -3.307 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.343 -4.652 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.380 -3.560 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.933 -0.989 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.697 -1.221 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.929 -0.607 -1.804 1.00 0.00 H new ATOM 701 N ASN A 48 -6.787 -3.497 1.251 1.00 0.00 N ATOM 702 CA ASN A 48 -8.115 -3.546 1.834 1.00 0.00 C ATOM 703 C ASN A 48 -8.202 -2.582 3.016 1.00 0.00 C ATOM 704 O ASN A 48 -9.272 -2.044 3.290 1.00 0.00 O ATOM 705 CB ASN A 48 -8.441 -4.980 2.253 1.00 0.00 C ATOM 706 CG ASN A 48 -8.907 -5.812 1.066 1.00 0.00 C ATOM 707 OD1 ASN A 48 -10.105 -5.935 0.823 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.979 -6.387 0.312 1.00 0.00 N ATOM 0 H ASN A 48 -6.207 -4.313 1.444 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.853 -3.234 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.559 -5.440 2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.216 -4.970 3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.253 -6.949 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.992 -6.267 0.538 1.00 0.00 H new ATOM 715 N ASP A 49 -7.089 -2.357 3.718 1.00 0.00 N ATOM 716 CA ASP A 49 -7.056 -1.470 4.873 1.00 0.00 C ATOM 717 C ASP A 49 -7.065 -0.002 4.459 1.00 0.00 C ATOM 718 O ASP A 49 -7.364 0.866 5.271 1.00 0.00 O ATOM 719 CB ASP A 49 -5.804 -1.799 5.686 1.00 0.00 C ATOM 720 CG ASP A 49 -5.764 -1.041 7.010 1.00 0.00 C ATOM 721 OD1 ASP A 49 -6.773 -1.106 7.744 1.00 0.00 O ATOM 722 OD2 ASP A 49 -4.720 -0.404 7.276 1.00 0.00 O ATOM 0 H ASP A 49 -6.190 -2.785 3.499 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.951 -1.627 5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.770 -2.871 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.918 -1.553 5.101 1.00 0.00 H new ATOM 727 N TYR A 50 -6.742 0.277 3.196 1.00 0.00 N ATOM 728 CA TYR A 50 -6.803 1.601 2.606 1.00 0.00 C ATOM 729 C TYR A 50 -8.118 1.828 1.871 1.00 0.00 C ATOM 730 O TYR A 50 -8.653 2.931 1.892 1.00 0.00 O ATOM 731 CB TYR A 50 -5.582 1.724 1.697 1.00 0.00 C ATOM 732 CG TYR A 50 -5.428 3.050 0.993 1.00 0.00 C ATOM 733 CD1 TYR A 50 -6.142 3.285 -0.185 1.00 0.00 C ATOM 734 CD2 TYR A 50 -4.568 4.034 1.505 1.00 0.00 C ATOM 735 CE1 TYR A 50 -6.012 4.503 -0.857 1.00 0.00 C ATOM 736 CE2 TYR A 50 -4.424 5.256 0.834 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.149 5.497 -0.353 1.00 0.00 C ATOM 738 OH TYR A 50 -5.016 6.687 -1.006 1.00 0.00 O ATOM 0 H TYR A 50 -6.422 -0.437 2.542 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.778 2.378 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.687 1.542 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.630 0.936 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.797 2.522 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.017 3.850 2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.573 4.683 -1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.759 6.012 1.225 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.583 7.338 -0.415 1.00 0.00 H new ATOM 748 N TYR A 51 -8.650 0.791 1.221 1.00 0.00 N ATOM 749 CA TYR A 51 -9.971 0.868 0.616 1.00 0.00 C ATOM 750 C TYR A 51 -11.055 0.796 1.693 1.00 0.00 C ATOM 751 O TYR A 51 -12.238 0.939 1.389 1.00 0.00 O ATOM 752 CB TYR A 51 -10.133 -0.244 -0.426 1.00 0.00 C ATOM 753 CG TYR A 51 -9.177 -0.174 -1.597 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.554 1.035 -1.952 1.00 0.00 C ATOM 755 CD2 TYR A 51 -8.919 -1.335 -2.339 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.681 1.080 -3.052 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.046 -1.297 -3.438 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.425 -0.087 -3.802 1.00 0.00 C ATOM 759 OH TYR A 51 -6.584 -0.039 -4.874 1.00 0.00 O ATOM 0 H TYR A 51 -8.183 -0.108 1.103 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.080 1.825 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.005 -1.206 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.153 -0.216 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.746 1.930 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.395 -2.265 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.205 2.010 -3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.851 -2.196 -4.004 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.517 -0.930 -5.278 1.00 0.00 H new ATOM 769 N ASP A 52 -10.660 0.574 2.951 1.00 0.00 N ATOM 770 CA ASP A 52 -11.583 0.584 4.079 1.00 0.00 C ATOM 771 C ASP A 52 -11.831 2.008 4.575 1.00 0.00 C ATOM 772 O ASP A 52 -12.791 2.262 5.298 1.00 0.00 O ATOM 773 CB ASP A 52 -11.008 -0.299 5.190 1.00 0.00 C ATOM 774 CG ASP A 52 -11.885 -0.304 6.439 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.015 -0.834 6.350 1.00 0.00 O ATOM 776 OD2 ASP A 52 -11.414 0.224 7.474 1.00 0.00 O ATOM 0 H ASP A 52 -9.692 0.383 3.210 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.548 0.187 3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.900 -1.319 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.010 0.053 5.451 1.00 0.00 H new ATOM 781 N LYS A 53 -10.956 2.933 4.181 1.00 0.00 N ATOM 782 CA LYS A 53 -11.021 4.334 4.572 1.00 0.00 C ATOM 783 C LYS A 53 -11.707 5.151 3.487 1.00 0.00 C ATOM 784 O LYS A 53 -12.406 6.119 3.781 1.00 0.00 O ATOM 785 CB LYS A 53 -9.588 4.829 4.758 1.00 0.00 C ATOM 786 CG LYS A 53 -8.949 4.439 6.093 1.00 0.00 C ATOM 787 CD LYS A 53 -9.185 2.979 6.463 1.00 0.00 C ATOM 788 CE LYS A 53 -8.120 2.532 7.458 1.00 0.00 C ATOM 789 NZ LYS A 53 -8.402 1.176 7.953 1.00 0.00 N ATOM 0 H LYS A 53 -10.168 2.721 3.569 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.592 4.443 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.974 4.437 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.578 5.915 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.876 4.627 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.349 5.077 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.178 2.858 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.149 2.355 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.140 2.553 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.083 3.229 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.356 1.169 8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.352 0.885 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.697 0.513 7.571 1.00 0.00 H new ATOM 803 N GLU A 54 -11.503 4.750 2.235 1.00 0.00 N ATOM 804 CA GLU A 54 -12.106 5.375 1.080 1.00 0.00 C ATOM 805 C GLU A 54 -12.688 4.299 0.175 1.00 0.00 C ATOM 806 O GLU A 54 -11.999 3.676 -0.633 1.00 0.00 O ATOM 807 CB GLU A 54 -11.073 6.234 0.360 1.00 0.00 C ATOM 808 CG GLU A 54 -9.700 5.570 0.348 1.00 0.00 C ATOM 809 CD GLU A 54 -8.702 6.446 -0.406 1.00 0.00 C ATOM 810 OE1 GLU A 54 -8.610 6.279 -1.644 1.00 0.00 O ATOM 811 OE2 GLU A 54 -8.043 7.274 0.260 1.00 0.00 O ATOM 0 H GLU A 54 -10.899 3.963 1.999 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.920 6.033 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.399 6.414 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.003 7.206 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.356 5.409 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.765 4.590 -0.124 1.00 0.00 H new ATOM 818 N ILE A 55 -13.992 4.100 0.345 1.00 0.00 N ATOM 819 CA ILE A 55 -14.789 3.148 -0.422 1.00 0.00 C ATOM 820 C ILE A 55 -14.807 3.532 -1.903 1.00 0.00 C ATOM 821 O ILE A 55 -15.098 2.699 -2.759 1.00 0.00 O ATOM 822 CB ILE A 55 -16.222 3.123 0.140 1.00 0.00 C ATOM 823 CG1 ILE A 55 -16.256 2.987 1.671 1.00 0.00 C ATOM 824 CG2 ILE A 55 -17.027 1.984 -0.490 1.00 0.00 C ATOM 825 CD1 ILE A 55 -15.575 1.715 2.177 1.00 0.00 C ATOM 0 H ILE A 55 -14.538 4.610 1.039 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.346 2.156 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 55 -16.672 4.082 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.769 3.854 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.293 2.995 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.037 1.982 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -17.074 2.125 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -16.544 1.032 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.633 1.679 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.076 0.843 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -14.529 1.715 1.870 1.00 0.00 H new ATOM 837 N GLY A 56 -14.497 4.794 -2.215 1.00 0.00 N ATOM 838 CA GLY A 56 -14.477 5.302 -3.577 1.00 0.00 C ATOM 839 C GLY A 56 -15.849 5.802 -4.024 1.00 0.00 C ATOM 840 O GLY A 56 -15.979 6.327 -5.131 1.00 0.00 O ATOM 0 H GLY A 56 -14.251 5.495 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.754 6.115 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.141 4.515 -4.252 1.00 0.00 H new ATOM 844 N THR A 57 -16.869 5.644 -3.175 1.00 0.00 N ATOM 845 CA THR A 57 -18.225 6.088 -3.476 1.00 0.00 C ATOM 846 C THR A 57 -18.992 6.436 -2.200 1.00 0.00 C ATOM 847 O THR A 57 -20.216 6.324 -2.139 1.00 0.00 O ATOM 848 CB THR A 57 -18.928 5.031 -4.330 1.00 0.00 C ATOM 849 OG1 THR A 57 -20.158 5.524 -4.815 1.00 0.00 O ATOM 850 CG2 THR A 57 -19.163 3.736 -3.553 1.00 0.00 C ATOM 0 H THR A 57 -16.773 5.204 -2.260 1.00 0.00 H new ATOM 0 HA THR A 57 -18.187 7.010 -4.056 1.00 0.00 H new ATOM 0 HB THR A 57 -18.270 4.807 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 57 -20.651 5.949 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 57 -19.664 3.012 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 57 -18.206 3.329 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 57 -19.786 3.942 -2.683 1.00 0.00 H new ATOM 858 N PHE A 58 -18.262 6.857 -1.168 1.00 0.00 N ATOM 859 CA PHE A 58 -18.788 7.166 0.140 1.00 0.00 C ATOM 860 C PHE A 58 -18.413 8.612 0.466 1.00 0.00 C ATOM 861 O PHE A 58 -18.715 9.517 -0.311 1.00 0.00 O ATOM 862 CB PHE A 58 -18.215 6.129 1.108 1.00 0.00 C ATOM 863 CG PHE A 58 -18.728 6.223 2.521 1.00 0.00 C ATOM 864 CD1 PHE A 58 -20.106 6.208 2.768 1.00 0.00 C ATOM 865 CD2 PHE A 58 -17.822 6.320 3.582 1.00 0.00 C ATOM 866 CE1 PHE A 58 -20.580 6.280 4.085 1.00 0.00 C ATOM 867 CE2 PHE A 58 -18.296 6.389 4.900 1.00 0.00 C ATOM 868 CZ PHE A 58 -19.673 6.368 5.152 1.00 0.00 C ATOM 0 H PHE A 58 -17.253 6.994 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 58 -19.874 7.107 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.436 5.134 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.130 6.230 1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.802 6.141 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.760 6.342 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.642 6.268 4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.598 6.458 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.037 6.420 6.167 1.00 0.00 H new ATOM 878 N THR A 59 -17.760 8.840 1.604 1.00 0.00 N ATOM 879 CA THR A 59 -17.413 10.164 2.078 1.00 0.00 C ATOM 880 C THR A 59 -15.977 10.534 1.731 1.00 0.00 C ATOM 881 O THR A 59 -15.331 11.315 2.430 1.00 0.00 O ATOM 882 CB THR A 59 -17.707 10.247 3.572 1.00 0.00 C ATOM 883 OG1 THR A 59 -16.888 9.349 4.286 1.00 0.00 O ATOM 884 CG2 THR A 59 -19.170 9.874 3.807 1.00 0.00 C ATOM 0 H THR A 59 -17.455 8.093 2.228 1.00 0.00 H new ATOM 0 HA THR A 59 -18.027 10.906 1.567 1.00 0.00 H new ATOM 0 HB THR A 59 -17.508 11.261 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.246 8.441 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 59 -19.393 9.930 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.814 10.567 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.348 8.859 3.451 1.00 0.00 H new ATOM 892 N ASP A 60 -15.487 9.955 0.636 1.00 0.00 N ATOM 893 CA ASP A 60 -14.138 10.174 0.132 1.00 0.00 C ATOM 894 C ASP A 60 -14.099 11.237 -0.953 1.00 0.00 C ATOM 895 O ASP A 60 -13.041 11.587 -1.472 1.00 0.00 O ATOM 896 CB ASP A 60 -13.567 8.852 -0.360 1.00 0.00 C ATOM 897 CG ASP A 60 -14.465 8.209 -1.414 1.00 0.00 C ATOM 898 OD1 ASP A 60 -15.400 7.483 -1.008 1.00 0.00 O ATOM 899 OD2 ASP A 60 -14.208 8.449 -2.614 1.00 0.00 O ATOM 0 H ASP A 60 -16.030 9.308 0.065 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.519 10.550 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.574 9.017 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.448 8.170 0.482 1.00 0.00 H new ATOM 904 N GLU A 61 -15.283 11.736 -1.277 1.00 0.00 N ATOM 905 CA GLU A 61 -15.519 12.792 -2.233 1.00 0.00 C ATOM 906 C GLU A 61 -15.617 14.148 -1.547 1.00 0.00 C ATOM 907 O GLU A 61 -16.090 15.126 -2.125 1.00 0.00 O ATOM 908 CB GLU A 61 -16.793 12.445 -2.986 1.00 0.00 C ATOM 909 CG GLU A 61 -16.584 11.241 -3.902 1.00 0.00 C ATOM 910 CD GLU A 61 -15.761 11.615 -5.135 1.00 0.00 C ATOM 911 OE1 GLU A 61 -16.386 12.036 -6.137 1.00 0.00 O ATOM 912 OE2 GLU A 61 -14.518 11.478 -5.076 1.00 0.00 O ATOM 0 H GLU A 61 -16.146 11.393 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.685 12.870 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.591 12.230 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.114 13.303 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.079 10.447 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.551 10.847 -4.214 1.00 0.00 H new ATOM 919 N VAL A 62 -15.162 14.179 -0.296 1.00 0.00 N ATOM 920 CA VAL A 62 -15.185 15.351 0.571 1.00 0.00 C ATOM 921 C VAL A 62 -13.806 15.566 1.191 1.00 0.00 C ATOM 922 O VAL A 62 -13.325 14.635 1.877 1.00 0.00 O ATOM 923 CB VAL A 62 -16.256 15.181 1.654 1.00 0.00 C ATOM 924 CG1 VAL A 62 -16.314 16.425 2.538 1.00 0.00 C ATOM 925 CG2 VAL A 62 -17.632 14.973 1.019 1.00 0.00 C ATOM 0 H VAL A 62 -14.754 13.360 0.155 1.00 0.00 H new ATOM 0 HA VAL A 62 -15.436 16.233 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 62 -15.993 14.310 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -17.079 16.292 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -15.346 16.578 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.559 17.294 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.380 14.854 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.884 15.838 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -17.614 14.079 0.396 1.00 0.00 H new TER 935 VAL A 62