USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= 0.137 K(o=0.26,f=-1.1) USER MOD Set 1.2: A 22 LYS NZ :NH3+ -108:sc= 0.12 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 148:sc= -0.383 (180deg=-1.38!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= -0.311 (180deg=-1.56!) USER MOD Single : A 6 ASN : amide:sc= -0.202 K(o=-0.2,f=-3.1!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0273 F(o=-1.5,f=-0.027) USER MOD Single : A 12 SER OG : rot 180:sc= -0.215 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -14.8! C(o=-15!,f=-19!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -1.57! USER MOD Single : A 33 ASN : amide:sc= -0.836 K(o=-0.84,f=-3.1!) USER MOD Single : A 40 CYS SG : rot 140:sc= -4.13! USER MOD Single : A 42 THR OG1 : rot -130:sc= 1.57 USER MOD Single : A 47 TYR OH : rot -59:sc= -4.17! USER MOD Single : A 55 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.4) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.1 F(o=-1.1,f=-0.1) USER MOD Single : A 59 SER OG : rot 116:sc= 0.0107 USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= -0.271! (180deg=-3.1) USER MOD Single : A 61 GLN : amide:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 63 THR OG1 : rot -71:sc= -0.596! USER MOD Single : A 65 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.9!) USER MOD Single : A 69 SER OG : rot 150:sc= -2.59! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0204 F(o=-1.2,f=-0.02) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -119:sc= -1.25 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.842 2.881 10.558 1.00 0.00 N ATOM 2 CA LYS A 1 -7.900 3.066 9.080 1.00 0.00 C ATOM 3 C LYS A 1 -6.654 3.815 8.614 1.00 0.00 C ATOM 4 O LYS A 1 -6.719 4.712 7.795 1.00 0.00 O ATOM 5 CB LYS A 1 -9.149 3.871 8.716 1.00 0.00 C ATOM 6 CG LYS A 1 -9.086 5.241 9.396 1.00 0.00 C ATOM 7 CD LYS A 1 -10.469 5.611 9.935 1.00 0.00 C ATOM 8 CE LYS A 1 -10.806 4.720 11.133 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.180 5.036 11.615 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.806 2.894 10.948 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.393 1.969 10.776 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.287 3.651 10.983 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.942 2.093 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.215 3.992 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.045 3.336 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.361 5.221 10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.748 5.995 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.486 6.660 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.220 5.488 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.741 3.670 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.083 4.879 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.410 4.431 12.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.226 6.035 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.864 4.863 10.851 1.00 0.00 H new ATOM 25 N LYS A 2 -5.519 3.457 9.137 1.00 0.00 N ATOM 26 CA LYS A 2 -4.268 4.149 8.738 1.00 0.00 C ATOM 27 C LYS A 2 -3.234 3.126 8.255 1.00 0.00 C ATOM 28 O LYS A 2 -3.244 1.974 8.643 1.00 0.00 O ATOM 29 CB LYS A 2 -3.754 4.959 9.942 1.00 0.00 C ATOM 30 CG LYS A 2 -2.345 4.525 10.355 1.00 0.00 C ATOM 31 CD LYS A 2 -1.310 5.194 9.451 1.00 0.00 C ATOM 32 CE LYS A 2 -0.651 6.359 10.191 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.032 5.862 11.452 1.00 0.00 N ATOM 0 H LYS A 2 -5.404 2.713 9.825 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.454 4.833 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.750 6.020 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.435 4.833 10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.162 4.795 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.254 3.441 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.554 4.469 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.788 5.554 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.107 6.822 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.392 7.127 10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.833 6.404 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.703 5.979 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.207 4.855 11.348 1.00 0.00 H new ATOM 47 N ALA A 3 -2.337 3.558 7.419 1.00 0.00 N ATOM 48 CA ALA A 3 -1.279 2.645 6.901 1.00 0.00 C ATOM 49 C ALA A 3 0.081 3.351 6.964 1.00 0.00 C ATOM 50 O ALA A 3 0.162 4.552 7.127 1.00 0.00 O ATOM 51 CB ALA A 3 -1.592 2.265 5.452 1.00 0.00 C ATOM 0 H ALA A 3 -2.289 4.514 7.067 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.249 1.743 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.817 1.597 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.558 1.761 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.625 3.165 4.839 1.00 0.00 H new ATOM 57 N VAL A 4 1.149 2.609 6.839 1.00 0.00 N ATOM 58 CA VAL A 4 2.507 3.223 6.894 1.00 0.00 C ATOM 59 C VAL A 4 3.492 2.339 6.130 1.00 0.00 C ATOM 60 O VAL A 4 3.679 1.184 6.456 1.00 0.00 O ATOM 61 CB VAL A 4 2.961 3.328 8.351 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.358 3.953 8.411 1.00 0.00 C ATOM 63 CG2 VAL A 4 1.973 4.197 9.131 1.00 0.00 C ATOM 0 H VAL A 4 1.139 1.599 6.700 1.00 0.00 H new ATOM 0 HA VAL A 4 2.474 4.216 6.446 1.00 0.00 H new ATOM 0 HB VAL A 4 2.995 2.332 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.679 4.027 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.060 3.329 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.330 4.949 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.296 4.272 10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.937 5.193 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.981 3.746 9.091 1.00 0.00 H new ATOM 73 N ILE A 5 4.126 2.863 5.118 1.00 0.00 N ATOM 74 CA ILE A 5 5.095 2.031 4.351 1.00 0.00 C ATOM 75 C ILE A 5 6.523 2.436 4.711 1.00 0.00 C ATOM 76 O ILE A 5 7.087 3.347 4.139 1.00 0.00 O ATOM 77 CB ILE A 5 4.872 2.223 2.855 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.356 2.136 2.571 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.655 1.142 2.094 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.045 1.101 1.479 1.00 0.00 C ATOM 0 H ILE A 5 4.017 3.823 4.791 1.00 0.00 H new ATOM 0 HA ILE A 5 4.942 0.982 4.606 1.00 0.00 H new ATOM 0 HB ILE A 5 5.230 3.197 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.828 1.870 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.986 3.114 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.503 1.269 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.717 1.233 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.301 0.156 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.969 1.067 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.553 1.382 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.392 0.119 1.799 1.00 0.00 H new ATOM 92 N ASN A 6 7.112 1.758 5.652 1.00 0.00 N ATOM 93 CA ASN A 6 8.505 2.091 6.052 1.00 0.00 C ATOM 94 C ASN A 6 9.478 1.302 5.171 1.00 0.00 C ATOM 95 O ASN A 6 9.694 0.123 5.368 1.00 0.00 O ATOM 96 CB ASN A 6 8.704 1.712 7.519 1.00 0.00 C ATOM 97 CG ASN A 6 8.246 2.866 8.412 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.069 3.975 7.948 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.044 2.651 9.683 1.00 0.00 N ATOM 0 H ASN A 6 6.688 0.984 6.164 1.00 0.00 H new ATOM 0 HA ASN A 6 8.690 3.158 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.137 0.811 7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.754 1.487 7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.738 3.414 10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.192 1.720 10.073 1.00 0.00 H new ATOM 106 N GLY A 7 10.058 1.942 4.189 1.00 0.00 N ATOM 107 CA GLY A 7 11.005 1.227 3.285 1.00 0.00 C ATOM 108 C GLY A 7 12.266 0.823 4.052 1.00 0.00 C ATOM 109 O GLY A 7 12.981 -0.075 3.656 1.00 0.00 O ATOM 0 H GLY A 7 9.916 2.929 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.524 0.341 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.272 1.868 2.445 1.00 0.00 H new ATOM 113 N GLU A 8 12.550 1.480 5.141 1.00 0.00 N ATOM 114 CA GLU A 8 13.771 1.129 5.921 1.00 0.00 C ATOM 115 C GLU A 8 13.633 -0.284 6.494 1.00 0.00 C ATOM 116 O GLU A 8 14.599 -0.889 6.915 1.00 0.00 O ATOM 117 CB GLU A 8 13.947 2.127 7.068 1.00 0.00 C ATOM 118 CG GLU A 8 15.023 3.150 6.693 1.00 0.00 C ATOM 119 CD GLU A 8 16.057 3.247 7.818 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.044 2.389 8.685 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.845 4.178 7.791 1.00 0.00 O ATOM 0 H GLU A 8 11.992 2.243 5.525 1.00 0.00 H new ATOM 0 HA GLU A 8 14.640 1.168 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.004 2.634 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.231 1.603 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.510 2.856 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.567 4.125 6.520 1.00 0.00 H new ATOM 128 N GLN A 9 12.439 -0.812 6.526 1.00 0.00 N ATOM 129 CA GLN A 9 12.243 -2.176 7.085 1.00 0.00 C ATOM 130 C GLN A 9 12.045 -3.189 5.954 1.00 0.00 C ATOM 131 O GLN A 9 12.704 -4.207 5.896 1.00 0.00 O ATOM 132 CB GLN A 9 11.003 -2.160 7.973 1.00 0.00 C ATOM 133 CG GLN A 9 11.161 -1.081 9.045 1.00 0.00 C ATOM 134 CD GLN A 9 11.752 -1.699 10.314 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.493 -2.769 10.220 1.00 0.00 O flip ATOM 136 NE2 GLN A 9 11.536 -1.204 11.402 1.00 0.00 N flip ATOM 0 H GLN A 9 11.592 -0.355 6.188 1.00 0.00 H new ATOM 0 HA GLN A 9 13.122 -2.465 7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.115 -1.965 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.864 -3.135 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.810 -0.285 8.680 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.194 -0.629 9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.957 -0.368 11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.934 -1.625 12.242 1.00 0.00 H new ATOM 145 N ILE A 10 11.130 -2.922 5.067 1.00 0.00 N ATOM 146 CA ILE A 10 10.865 -3.863 3.947 1.00 0.00 C ATOM 147 C ILE A 10 12.165 -4.435 3.392 1.00 0.00 C ATOM 148 O ILE A 10 13.174 -3.766 3.295 1.00 0.00 O ATOM 149 CB ILE A 10 10.114 -3.114 2.856 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.655 -3.013 3.262 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.211 -3.852 1.516 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.951 -2.132 2.257 1.00 0.00 C ATOM 0 H ILE A 10 10.549 -2.084 5.071 1.00 0.00 H new ATOM 0 HA ILE A 10 10.267 -4.698 4.312 1.00 0.00 H new ATOM 0 HB ILE A 10 10.555 -2.125 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.197 -4.002 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.566 -2.594 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.666 -3.295 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.257 -3.939 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.779 -4.848 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.898 -2.043 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.410 -1.144 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.036 -2.573 1.264 1.00 0.00 H new ATOM 164 N ARG A 11 12.124 -5.680 3.022 1.00 0.00 N ATOM 165 CA ARG A 11 13.318 -6.346 2.460 1.00 0.00 C ATOM 166 C ARG A 11 12.969 -6.902 1.077 1.00 0.00 C ATOM 167 O ARG A 11 13.824 -7.369 0.351 1.00 0.00 O ATOM 168 CB ARG A 11 13.715 -7.493 3.383 1.00 0.00 C ATOM 169 CG ARG A 11 14.467 -6.936 4.591 1.00 0.00 C ATOM 170 CD ARG A 11 15.239 -8.064 5.279 1.00 0.00 C ATOM 171 NE ARG A 11 14.286 -8.956 6.002 1.00 0.00 N ATOM 172 CZ ARG A 11 13.239 -8.454 6.597 1.00 0.00 C ATOM 173 NH1 ARG A 11 13.378 -7.798 7.717 1.00 0.00 N ATOM 174 NH2 ARG A 11 12.054 -8.608 6.074 1.00 0.00 N ATOM 0 H ARG A 11 11.296 -6.272 3.088 1.00 0.00 H new ATOM 0 HA ARG A 11 14.143 -5.639 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.827 -8.034 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.342 -8.205 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.154 -6.152 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.766 -6.482 5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.800 -8.637 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.965 -7.648 5.978 1.00 0.00 H new ATOM 0 HE ARG A 11 14.454 -9.962 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.305 -7.678 8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.560 -7.405 8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.945 -9.121 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.236 -8.215 6.540 1.00 0.00 H new ATOM 188 N SER A 12 11.714 -6.861 0.708 1.00 0.00 N ATOM 189 CA SER A 12 11.315 -7.394 -0.626 1.00 0.00 C ATOM 190 C SER A 12 9.855 -7.033 -0.922 1.00 0.00 C ATOM 191 O SER A 12 9.132 -6.542 -0.072 1.00 0.00 O ATOM 192 CB SER A 12 11.472 -8.915 -0.631 1.00 0.00 C ATOM 193 OG SER A 12 11.570 -9.381 0.708 1.00 0.00 O ATOM 0 H SER A 12 10.952 -6.483 1.271 1.00 0.00 H new ATOM 0 HA SER A 12 11.953 -6.954 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.620 -9.379 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.362 -9.199 -1.193 1.00 0.00 H new ATOM 0 HG SER A 12 11.669 -10.356 0.709 1.00 0.00 H new ATOM 199 N ILE A 13 9.416 -7.277 -2.128 1.00 0.00 N ATOM 200 CA ILE A 13 8.009 -6.955 -2.493 1.00 0.00 C ATOM 201 C ILE A 13 7.060 -7.601 -1.481 1.00 0.00 C ATOM 202 O ILE A 13 6.159 -6.964 -0.972 1.00 0.00 O ATOM 203 CB ILE A 13 7.709 -7.495 -3.892 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.326 -7.020 -4.340 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.732 -9.022 -3.860 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.183 -5.521 -4.068 1.00 0.00 C ATOM 0 H ILE A 13 9.974 -7.687 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 13 7.869 -5.874 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 13 8.462 -7.130 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.188 -7.222 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.551 -7.572 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.518 -9.410 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.716 -9.364 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.978 -9.383 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.197 -5.186 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.302 -5.332 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.949 -4.976 -4.621 1.00 0.00 H new ATOM 218 N SER A 14 7.256 -8.856 -1.176 1.00 0.00 N ATOM 219 CA SER A 14 6.364 -9.520 -0.187 1.00 0.00 C ATOM 220 C SER A 14 6.312 -8.654 1.066 1.00 0.00 C ATOM 221 O SER A 14 5.264 -8.409 1.626 1.00 0.00 O ATOM 222 CB SER A 14 6.922 -10.899 0.163 1.00 0.00 C ATOM 223 OG SER A 14 6.000 -11.579 1.005 1.00 0.00 O ATOM 0 H SER A 14 7.991 -9.445 -1.567 1.00 0.00 H new ATOM 0 HA SER A 14 5.364 -9.640 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.095 -11.475 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.884 -10.798 0.665 1.00 0.00 H new ATOM 0 HG SER A 14 6.354 -12.465 1.230 1.00 0.00 H new ATOM 229 N ASP A 15 7.446 -8.178 1.497 1.00 0.00 N ATOM 230 CA ASP A 15 7.490 -7.310 2.698 1.00 0.00 C ATOM 231 C ASP A 15 6.603 -6.091 2.473 1.00 0.00 C ATOM 232 O ASP A 15 5.887 -5.655 3.350 1.00 0.00 O ATOM 233 CB ASP A 15 8.920 -6.831 2.917 1.00 0.00 C ATOM 234 CG ASP A 15 9.411 -7.277 4.295 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.694 -8.454 4.448 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.495 -6.435 5.174 1.00 0.00 O ATOM 0 H ASP A 15 8.351 -8.357 1.062 1.00 0.00 H new ATOM 0 HA ASP A 15 7.142 -7.873 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.571 -7.234 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.965 -5.745 2.839 1.00 0.00 H new ATOM 241 N LEU A 16 6.657 -5.537 1.297 1.00 0.00 N ATOM 242 CA LEU A 16 5.829 -4.338 0.995 1.00 0.00 C ATOM 243 C LEU A 16 4.360 -4.687 1.208 1.00 0.00 C ATOM 244 O LEU A 16 3.669 -4.101 2.023 1.00 0.00 O ATOM 245 CB LEU A 16 6.056 -3.940 -0.464 1.00 0.00 C ATOM 246 CG LEU A 16 5.360 -2.613 -0.767 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.634 -1.610 0.353 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.913 -2.051 -2.071 1.00 0.00 C ATOM 0 H LEU A 16 7.242 -5.864 0.528 1.00 0.00 H new ATOM 0 HA LEU A 16 6.105 -3.510 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.124 -3.852 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.673 -4.718 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 16 4.286 -2.782 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.134 -0.668 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.256 -2.005 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.708 -1.440 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.423 -1.104 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.986 -1.889 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.726 -2.757 -2.880 1.00 0.00 H new ATOM 260 N HIS A 17 3.890 -5.655 0.484 1.00 0.00 N ATOM 261 CA HIS A 17 2.482 -6.087 0.624 1.00 0.00 C ATOM 262 C HIS A 17 2.267 -6.579 2.054 1.00 0.00 C ATOM 263 O HIS A 17 1.156 -6.668 2.540 1.00 0.00 O ATOM 264 CB HIS A 17 2.225 -7.219 -0.370 1.00 0.00 C ATOM 265 CG HIS A 17 2.682 -6.787 -1.737 1.00 0.00 C ATOM 266 ND1 HIS A 17 2.249 -5.605 -2.319 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.534 -7.363 -2.646 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.836 -5.509 -3.526 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.629 -6.554 -3.775 1.00 0.00 N ATOM 0 H HIS A 17 4.431 -6.172 -0.209 1.00 0.00 H new ATOM 0 HA HIS A 17 1.796 -5.265 0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.758 -8.118 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.164 -7.469 -0.390 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.603 -4.931 -1.907 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.052 -8.301 -2.507 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.684 -4.687 -4.210 1.00 0.00 H new ATOM 277 N GLN A 18 3.335 -6.888 2.736 1.00 0.00 N ATOM 278 CA GLN A 18 3.220 -7.363 4.132 1.00 0.00 C ATOM 279 C GLN A 18 2.752 -6.208 5.012 1.00 0.00 C ATOM 280 O GLN A 18 1.770 -6.311 5.718 1.00 0.00 O ATOM 281 CB GLN A 18 4.585 -7.849 4.617 1.00 0.00 C ATOM 282 CG GLN A 18 4.411 -9.126 5.442 1.00 0.00 C ATOM 283 CD GLN A 18 5.372 -9.100 6.632 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.035 -8.602 7.688 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.562 -9.619 6.506 1.00 0.00 N ATOM 0 H GLN A 18 4.288 -6.829 2.378 1.00 0.00 H new ATOM 0 HA GLN A 18 2.504 -8.183 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.238 -8.040 3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.064 -7.077 5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.382 -9.207 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.606 -10.001 4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.845 -10.037 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.210 -9.607 7.294 1.00 0.00 H new ATOM 294 N THR A 19 3.450 -5.106 4.973 1.00 0.00 N ATOM 295 CA THR A 19 3.047 -3.948 5.802 1.00 0.00 C ATOM 296 C THR A 19 1.679 -3.459 5.318 1.00 0.00 C ATOM 297 O THR A 19 0.812 -3.135 6.102 1.00 0.00 O ATOM 298 CB THR A 19 4.117 -2.837 5.692 1.00 0.00 C ATOM 299 OG1 THR A 19 4.671 -2.603 6.979 1.00 0.00 O ATOM 300 CG2 THR A 19 3.511 -1.527 5.173 1.00 0.00 C ATOM 0 H THR A 19 4.282 -4.963 4.401 1.00 0.00 H new ATOM 0 HA THR A 19 2.968 -4.231 6.852 1.00 0.00 H new ATOM 0 HB THR A 19 4.883 -3.167 4.990 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.352 -1.901 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.289 -0.767 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.080 -1.692 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.732 -1.190 5.857 1.00 0.00 H new ATOM 308 N LEU A 20 1.479 -3.412 4.029 1.00 0.00 N ATOM 309 CA LEU A 20 0.173 -2.956 3.500 1.00 0.00 C ATOM 310 C LEU A 20 -0.923 -3.873 4.042 1.00 0.00 C ATOM 311 O LEU A 20 -2.021 -3.457 4.324 1.00 0.00 O ATOM 312 CB LEU A 20 0.193 -3.046 1.976 1.00 0.00 C ATOM 313 CG LEU A 20 1.056 -1.924 1.393 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.969 -1.968 -0.130 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.550 -0.566 1.895 1.00 0.00 C ATOM 0 H LEU A 20 2.168 -3.671 3.323 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.016 -1.927 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.585 -4.015 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.822 -2.974 1.587 1.00 0.00 H new ATOM 0 HG LEU A 20 2.091 -2.059 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.581 -1.171 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.331 -2.932 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.067 -1.832 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.167 0.229 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.484 -0.425 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.607 -0.536 2.983 1.00 0.00 H new ATOM 327 N LYS A 21 -0.615 -5.125 4.174 1.00 0.00 N ATOM 328 CA LYS A 21 -1.607 -6.117 4.685 1.00 0.00 C ATOM 329 C LYS A 21 -1.860 -5.896 6.175 1.00 0.00 C ATOM 330 O LYS A 21 -2.975 -5.981 6.639 1.00 0.00 O ATOM 331 CB LYS A 21 -1.057 -7.527 4.480 1.00 0.00 C ATOM 332 CG LYS A 21 -1.974 -8.541 5.167 1.00 0.00 C ATOM 333 CD LYS A 21 -1.410 -9.950 4.976 1.00 0.00 C ATOM 334 CE LYS A 21 -0.970 -10.513 6.329 1.00 0.00 C ATOM 335 NZ LYS A 21 0.275 -11.313 6.153 1.00 0.00 N ATOM 0 H LYS A 21 0.299 -5.517 3.947 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.543 -5.993 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.986 -7.749 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.049 -7.598 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.056 -8.312 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.979 -8.480 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.164 -10.597 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.564 -9.924 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.796 -9.700 7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.759 -11.136 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.574 -11.696 7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.094 -12.097 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.027 -10.705 5.770 1.00 0.00 H new ATOM 349 N LYS A 22 -0.838 -5.621 6.933 1.00 0.00 N ATOM 350 CA LYS A 22 -1.034 -5.400 8.384 1.00 0.00 C ATOM 351 C LYS A 22 -1.920 -4.176 8.570 1.00 0.00 C ATOM 352 O LYS A 22 -2.957 -4.221 9.201 1.00 0.00 O ATOM 353 CB LYS A 22 0.318 -5.141 9.043 1.00 0.00 C ATOM 354 CG LYS A 22 0.998 -6.474 9.364 1.00 0.00 C ATOM 355 CD LYS A 22 2.420 -6.471 8.802 1.00 0.00 C ATOM 356 CE LYS A 22 3.303 -5.553 9.650 1.00 0.00 C ATOM 357 NZ LYS A 22 4.673 -6.132 9.745 1.00 0.00 N ATOM 0 H LYS A 22 0.125 -5.540 6.607 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.498 -6.276 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.950 -4.550 8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.183 -4.561 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.022 -6.631 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.428 -7.298 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.824 -7.483 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.412 -6.131 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.347 -4.559 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.875 -5.437 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.829 -6.500 10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.771 -6.906 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.377 -5.394 9.539 1.00 0.00 H new ATOM 371 N GLU A 23 -1.503 -3.084 8.007 1.00 0.00 N ATOM 372 CA GLU A 23 -2.275 -1.830 8.105 1.00 0.00 C ATOM 373 C GLU A 23 -3.667 -2.053 7.523 1.00 0.00 C ATOM 374 O GLU A 23 -4.665 -2.017 8.216 1.00 0.00 O ATOM 375 CB GLU A 23 -1.536 -0.773 7.293 1.00 0.00 C ATOM 376 CG GLU A 23 -0.186 -0.492 7.954 1.00 0.00 C ATOM 377 CD GLU A 23 -0.390 0.384 9.191 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.533 0.653 9.521 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.601 0.770 9.788 1.00 0.00 O ATOM 0 H GLU A 23 -0.638 -3.010 7.471 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.376 -1.510 9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.390 -1.119 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.127 0.142 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.294 -1.429 8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.478 0.007 7.249 1.00 0.00 H new ATOM 386 N LEU A 24 -3.727 -2.298 6.249 1.00 0.00 N ATOM 387 CA LEU A 24 -5.032 -2.547 5.581 1.00 0.00 C ATOM 388 C LEU A 24 -5.725 -3.737 6.245 1.00 0.00 C ATOM 389 O LEU A 24 -6.898 -3.977 6.040 1.00 0.00 O ATOM 390 CB LEU A 24 -4.786 -2.873 4.105 1.00 0.00 C ATOM 391 CG LEU A 24 -4.270 -1.628 3.382 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.082 -2.010 2.499 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.385 -1.047 2.510 1.00 0.00 C ATOM 0 H LEU A 24 -2.916 -2.337 5.632 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.661 -1.661 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.062 -3.683 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.709 -3.219 3.640 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.956 -0.885 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.713 -1.124 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.288 -2.427 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.398 -2.752 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.018 -0.160 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.698 -1.790 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.234 -0.777 3.138 1.00 0.00 H new ATOM 405 N ALA A 25 -5.008 -4.493 7.033 1.00 0.00 N ATOM 406 CA ALA A 25 -5.623 -5.667 7.696 1.00 0.00 C ATOM 407 C ALA A 25 -6.270 -6.563 6.640 1.00 0.00 C ATOM 408 O ALA A 25 -7.412 -6.961 6.760 1.00 0.00 O ATOM 409 CB ALA A 25 -6.673 -5.176 8.684 1.00 0.00 C ATOM 0 H ALA A 25 -4.021 -4.343 7.243 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.865 -6.241 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.134 -6.030 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.200 -4.536 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.437 -4.610 8.151 1.00 0.00 H new ATOM 415 N LEU A 26 -5.542 -6.888 5.605 1.00 0.00 N ATOM 416 CA LEU A 26 -6.104 -7.761 4.539 1.00 0.00 C ATOM 417 C LEU A 26 -6.145 -9.204 5.047 1.00 0.00 C ATOM 418 O LEU A 26 -5.449 -9.548 5.981 1.00 0.00 O ATOM 419 CB LEU A 26 -5.214 -7.681 3.296 1.00 0.00 C ATOM 420 CG LEU A 26 -4.848 -6.222 3.022 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.848 -6.157 1.876 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.109 -5.439 2.646 1.00 0.00 C ATOM 0 H LEU A 26 -4.580 -6.585 5.453 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.111 -7.432 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.310 -8.272 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.733 -8.104 2.436 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.405 -5.785 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.586 -5.117 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.950 -6.713 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.291 -6.595 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.847 -4.399 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.555 -5.875 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.824 -5.485 3.467 1.00 0.00 H new ATOM 434 N PRO A 27 -6.960 -10.009 4.414 1.00 0.00 N ATOM 435 CA PRO A 27 -7.104 -11.425 4.789 1.00 0.00 C ATOM 436 C PRO A 27 -5.744 -12.122 4.768 1.00 0.00 C ATOM 437 O PRO A 27 -4.728 -11.515 4.493 1.00 0.00 O ATOM 438 CB PRO A 27 -8.029 -12.019 3.720 1.00 0.00 C ATOM 439 CG PRO A 27 -8.524 -10.854 2.826 1.00 0.00 C ATOM 440 CD PRO A 27 -7.797 -9.579 3.279 1.00 0.00 C ATOM 0 HA PRO A 27 -7.505 -11.549 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.497 -12.760 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.872 -12.530 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.315 -11.061 1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.603 -10.733 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.190 -9.162 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.504 -8.805 3.579 1.00 0.00 H new ATOM 448 N GLU A 28 -5.719 -13.393 5.050 1.00 0.00 N ATOM 449 CA GLU A 28 -4.429 -14.130 5.040 1.00 0.00 C ATOM 450 C GLU A 28 -4.063 -14.464 3.595 1.00 0.00 C ATOM 451 O GLU A 28 -2.937 -14.803 3.290 1.00 0.00 O ATOM 452 CB GLU A 28 -4.576 -15.423 5.840 1.00 0.00 C ATOM 453 CG GLU A 28 -4.908 -15.088 7.296 1.00 0.00 C ATOM 454 CD GLU A 28 -4.086 -15.980 8.227 1.00 0.00 C ATOM 455 OE1 GLU A 28 -3.161 -16.613 7.745 1.00 0.00 O ATOM 456 OE2 GLU A 28 -4.394 -16.015 9.407 1.00 0.00 O ATOM 0 H GLU A 28 -6.538 -13.953 5.287 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.647 -13.516 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.363 -16.042 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.653 -16.001 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.692 -14.039 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.972 -15.235 7.480 1.00 0.00 H new ATOM 463 N TYR A 29 -5.009 -14.363 2.701 1.00 0.00 N ATOM 464 CA TYR A 29 -4.715 -14.667 1.275 1.00 0.00 C ATOM 465 C TYR A 29 -4.415 -13.365 0.532 1.00 0.00 C ATOM 466 O TYR A 29 -4.406 -13.327 -0.682 1.00 0.00 O ATOM 467 CB TYR A 29 -5.916 -15.366 0.627 1.00 0.00 C ATOM 468 CG TYR A 29 -7.204 -14.802 1.177 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.783 -15.367 2.320 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.822 -13.718 0.542 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.981 -14.849 2.827 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.020 -13.200 1.051 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.599 -13.765 2.193 1.00 0.00 C ATOM 474 OH TYR A 29 -10.779 -13.255 2.693 1.00 0.00 O ATOM 0 H TYR A 29 -5.970 -14.084 2.898 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.850 -15.328 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.884 -15.233 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.869 -16.438 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.305 -16.202 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.376 -13.282 -0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.428 -15.286 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.497 -12.364 0.562 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.073 -12.504 2.136 1.00 0.00 H new ATOM 484 N TYR A 30 -4.169 -12.300 1.257 1.00 0.00 N ATOM 485 CA TYR A 30 -3.860 -10.991 0.599 1.00 0.00 C ATOM 486 C TYR A 30 -2.999 -11.238 -0.642 1.00 0.00 C ATOM 487 O TYR A 30 -1.810 -11.463 -0.549 1.00 0.00 O ATOM 488 CB TYR A 30 -3.095 -10.092 1.577 1.00 0.00 C ATOM 489 CG TYR A 30 -2.617 -8.843 0.865 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.416 -8.247 -0.117 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.374 -8.283 1.190 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.973 -7.091 -0.774 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.931 -7.124 0.534 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.732 -6.529 -0.448 1.00 0.00 C ATOM 495 OH TYR A 30 -1.298 -5.391 -1.097 1.00 0.00 O ATOM 0 H TYR A 30 -4.169 -12.281 2.277 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.790 -10.502 0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.739 -9.820 2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.244 -10.633 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.374 -8.678 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.756 -8.744 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.590 -6.633 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.026 -6.692 0.786 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.418 -5.132 -0.751 1.00 0.00 H new ATOM 505 N GLY A 31 -3.596 -11.211 -1.801 1.00 0.00 N ATOM 506 CA GLY A 31 -2.821 -11.457 -3.050 1.00 0.00 C ATOM 507 C GLY A 31 -1.485 -10.713 -2.991 1.00 0.00 C ATOM 508 O GLY A 31 -0.478 -11.205 -3.457 1.00 0.00 O ATOM 0 H GLY A 31 -4.590 -11.029 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.646 -12.526 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.394 -11.124 -3.915 1.00 0.00 H new ATOM 512 N GLU A 32 -1.477 -9.529 -2.434 1.00 0.00 N ATOM 513 CA GLU A 32 -0.213 -8.733 -2.347 1.00 0.00 C ATOM 514 C GLU A 32 0.029 -7.998 -3.669 1.00 0.00 C ATOM 515 O GLU A 32 0.824 -7.084 -3.743 1.00 0.00 O ATOM 516 CB GLU A 32 0.975 -9.658 -2.059 1.00 0.00 C ATOM 517 CG GLU A 32 0.588 -10.674 -0.984 1.00 0.00 C ATOM 518 CD GLU A 32 1.836 -11.097 -0.207 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.675 -10.245 0.036 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.932 -12.265 0.131 1.00 0.00 O ATOM 0 H GLU A 32 -2.298 -9.075 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.310 -8.009 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.275 -10.175 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.832 -9.072 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.146 -10.239 -0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.120 -11.545 -1.443 1.00 0.00 H new ATOM 527 N ASN A 33 -0.650 -8.388 -4.713 1.00 0.00 N ATOM 528 CA ASN A 33 -0.450 -7.702 -6.027 1.00 0.00 C ATOM 529 C ASN A 33 -1.275 -6.415 -6.070 1.00 0.00 C ATOM 530 O ASN A 33 -1.934 -6.051 -5.117 1.00 0.00 O ATOM 531 CB ASN A 33 -0.871 -8.607 -7.203 1.00 0.00 C ATOM 532 CG ASN A 33 -1.528 -9.896 -6.702 1.00 0.00 C ATOM 533 OD1 ASN A 33 -0.904 -10.684 -6.019 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.770 -10.146 -7.016 1.00 0.00 N ATOM 0 H ASN A 33 -1.331 -9.147 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 33 0.611 -7.473 -6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.565 -8.069 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.002 -8.852 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.216 -11.002 -6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.294 -9.485 -7.589 1.00 0.00 H new ATOM 541 N LEU A 34 -1.248 -5.734 -7.181 1.00 0.00 N ATOM 542 CA LEU A 34 -2.032 -4.475 -7.319 1.00 0.00 C ATOM 543 C LEU A 34 -3.506 -4.826 -7.481 1.00 0.00 C ATOM 544 O LEU A 34 -4.382 -4.167 -6.971 1.00 0.00 O ATOM 545 CB LEU A 34 -1.576 -3.747 -8.574 1.00 0.00 C ATOM 546 CG LEU A 34 -0.123 -3.300 -8.416 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.390 -2.761 -9.753 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.039 -2.200 -7.356 1.00 0.00 C ATOM 0 H LEU A 34 -0.711 -5.998 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.884 -3.849 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.672 -4.402 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.214 -2.882 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 34 0.487 -4.148 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.426 -2.441 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.330 -3.545 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.221 -1.912 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.997 -1.881 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.648 -1.350 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.406 -2.583 -6.404 1.00 0.00 H new ATOM 560 N ASP A 35 -3.766 -5.860 -8.214 1.00 0.00 N ATOM 561 CA ASP A 35 -5.164 -6.299 -8.457 1.00 0.00 C ATOM 562 C ASP A 35 -5.825 -6.703 -7.141 1.00 0.00 C ATOM 563 O ASP A 35 -6.998 -6.471 -6.924 1.00 0.00 O ATOM 564 CB ASP A 35 -5.127 -7.519 -9.364 1.00 0.00 C ATOM 565 CG ASP A 35 -4.737 -7.098 -10.782 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.588 -6.568 -11.477 1.00 0.00 O ATOM 567 OD2 ASP A 35 -3.594 -7.313 -11.150 1.00 0.00 O ATOM 0 H ASP A 35 -3.055 -6.435 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.727 -5.483 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.412 -8.247 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.102 -8.006 -9.374 1.00 0.00 H new ATOM 572 N ALA A 36 -5.081 -7.317 -6.266 1.00 0.00 N ATOM 573 CA ALA A 36 -5.671 -7.750 -4.967 1.00 0.00 C ATOM 574 C ALA A 36 -5.726 -6.559 -4.034 1.00 0.00 C ATOM 575 O ALA A 36 -6.768 -6.191 -3.529 1.00 0.00 O ATOM 576 CB ALA A 36 -4.806 -8.834 -4.335 1.00 0.00 C ATOM 0 H ALA A 36 -4.093 -7.538 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.672 -8.145 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.245 -9.143 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.749 -9.691 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.803 -8.444 -4.160 1.00 0.00 H new ATOM 582 N LEU A 37 -4.603 -5.945 -3.818 1.00 0.00 N ATOM 583 CA LEU A 37 -4.560 -4.755 -2.936 1.00 0.00 C ATOM 584 C LEU A 37 -5.743 -3.867 -3.301 1.00 0.00 C ATOM 585 O LEU A 37 -6.527 -3.445 -2.470 1.00 0.00 O ATOM 586 CB LEU A 37 -3.253 -4.004 -3.195 1.00 0.00 C ATOM 587 CG LEU A 37 -3.383 -2.559 -2.708 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.536 -2.544 -1.186 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.133 -1.770 -3.104 1.00 0.00 C ATOM 0 H LEU A 37 -3.706 -6.219 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.611 -5.039 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.430 -4.499 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.018 -4.019 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.260 -2.101 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.629 -1.515 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.428 -3.103 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.660 -3.004 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.227 -0.741 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.255 -2.228 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.026 -1.778 -4.189 1.00 0.00 H new ATOM 601 N TRP A 38 -5.870 -3.601 -4.560 1.00 0.00 N ATOM 602 CA TRP A 38 -6.981 -2.771 -5.043 1.00 0.00 C ATOM 603 C TRP A 38 -8.279 -3.435 -4.653 1.00 0.00 C ATOM 604 O TRP A 38 -9.121 -2.861 -3.999 1.00 0.00 O ATOM 605 CB TRP A 38 -6.926 -2.688 -6.563 1.00 0.00 C ATOM 606 CG TRP A 38 -8.088 -1.896 -7.034 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.298 -2.406 -7.299 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.178 -0.472 -7.272 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.139 -1.382 -7.704 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.486 -0.164 -7.701 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.255 0.566 -7.161 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.859 1.145 -8.008 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.613 1.874 -7.460 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.917 2.174 -7.885 1.00 0.00 C ATOM 0 H TRP A 38 -5.235 -3.933 -5.286 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.910 -1.772 -4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.995 -2.221 -6.883 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.948 -3.687 -6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.573 -3.447 -7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.115 -1.511 -7.970 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.247 0.350 -6.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.864 1.363 -8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.884 2.665 -7.365 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.192 3.193 -8.116 1.00 0.00 H new ATOM 625 N ASP A 39 -8.435 -4.655 -5.055 1.00 0.00 N ATOM 626 CA ASP A 39 -9.674 -5.393 -4.719 1.00 0.00 C ATOM 627 C ASP A 39 -10.013 -5.131 -3.254 1.00 0.00 C ATOM 628 O ASP A 39 -11.158 -5.181 -2.850 1.00 0.00 O ATOM 629 CB ASP A 39 -9.457 -6.888 -4.943 1.00 0.00 C ATOM 630 CG ASP A 39 -10.341 -7.368 -6.096 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.462 -6.638 -7.066 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.882 -8.456 -5.988 1.00 0.00 O ATOM 0 H ASP A 39 -7.754 -5.178 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.494 -5.058 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.409 -7.084 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.695 -7.441 -4.034 1.00 0.00 H new ATOM 637 N CYS A 40 -9.020 -4.842 -2.452 1.00 0.00 N ATOM 638 CA CYS A 40 -9.287 -4.567 -1.018 1.00 0.00 C ATOM 639 C CYS A 40 -9.758 -3.117 -0.847 1.00 0.00 C ATOM 640 O CYS A 40 -10.742 -2.849 -0.187 1.00 0.00 O ATOM 641 CB CYS A 40 -8.008 -4.791 -0.212 1.00 0.00 C ATOM 642 SG CYS A 40 -7.685 -6.567 -0.074 1.00 0.00 S ATOM 0 H CYS A 40 -8.041 -4.786 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.066 -5.240 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.168 -4.294 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.109 -4.351 0.780 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.411 -6.788 -0.207 1.00 0.00 H new ATOM 648 N LEU A 41 -9.060 -2.176 -1.428 1.00 0.00 N ATOM 649 CA LEU A 41 -9.460 -0.756 -1.285 1.00 0.00 C ATOM 650 C LEU A 41 -10.883 -0.540 -1.811 1.00 0.00 C ATOM 651 O LEU A 41 -11.721 0.037 -1.149 1.00 0.00 O ATOM 652 CB LEU A 41 -8.493 0.105 -2.092 1.00 0.00 C ATOM 653 CG LEU A 41 -7.059 -0.389 -1.886 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.091 0.617 -2.488 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.776 -0.541 -0.390 1.00 0.00 C ATOM 0 H LEU A 41 -8.228 -2.336 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.433 -0.481 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.752 0.064 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.576 1.147 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.933 -1.355 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.068 0.269 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.291 0.722 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.218 1.582 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.754 -0.893 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.900 0.423 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.471 -1.261 0.040 1.00 0.00 H new ATOM 667 N THR A 42 -11.148 -0.975 -3.011 1.00 0.00 N ATOM 668 CA THR A 42 -12.491 -0.777 -3.609 1.00 0.00 C ATOM 669 C THR A 42 -13.551 -1.592 -2.863 1.00 0.00 C ATOM 670 O THR A 42 -14.728 -1.481 -3.146 1.00 0.00 O ATOM 671 CB THR A 42 -12.457 -1.208 -5.077 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.620 -2.348 -5.214 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.910 -0.064 -5.933 1.00 0.00 C ATOM 0 H THR A 42 -10.481 -1.465 -3.607 1.00 0.00 H new ATOM 0 HA THR A 42 -12.753 0.278 -3.532 1.00 0.00 H new ATOM 0 HB THR A 42 -13.466 -1.456 -5.408 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.985 -2.201 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.886 -0.371 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.553 0.810 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.901 0.186 -5.605 1.00 0.00 H new ATOM 681 N GLY A 43 -13.168 -2.411 -1.920 1.00 0.00 N ATOM 682 CA GLY A 43 -14.207 -3.206 -1.198 1.00 0.00 C ATOM 683 C GLY A 43 -13.579 -4.088 -0.114 1.00 0.00 C ATOM 684 O GLY A 43 -13.513 -5.293 -0.248 1.00 0.00 O ATOM 0 H GLY A 43 -12.204 -2.563 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.934 -2.532 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.750 -3.830 -1.908 1.00 0.00 H new ATOM 688 N TRP A 44 -13.139 -3.500 0.965 1.00 0.00 N ATOM 689 CA TRP A 44 -12.538 -4.302 2.065 1.00 0.00 C ATOM 690 C TRP A 44 -11.960 -3.365 3.125 1.00 0.00 C ATOM 691 O TRP A 44 -12.401 -3.342 4.257 1.00 0.00 O ATOM 692 CB TRP A 44 -11.424 -5.180 1.509 1.00 0.00 C ATOM 693 CG TRP A 44 -10.750 -5.889 2.638 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.608 -5.481 3.233 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.156 -7.111 3.321 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.283 -6.375 4.237 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.206 -7.397 4.331 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.243 -7.990 3.164 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.331 -8.516 5.156 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.371 -9.117 3.993 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.417 -9.379 4.987 1.00 0.00 C ATOM 0 H TRP A 44 -13.171 -2.494 1.131 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.308 -4.930 2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.832 -5.902 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.703 -4.572 0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.041 -4.601 2.968 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.461 -6.289 4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.983 -7.797 2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.593 -8.713 5.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.209 -9.786 3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.522 -10.247 5.621 1.00 0.00 H new ATOM 712 N VAL A 45 -10.970 -2.598 2.766 1.00 0.00 N ATOM 713 CA VAL A 45 -10.352 -1.668 3.743 1.00 0.00 C ATOM 714 C VAL A 45 -11.399 -0.667 4.234 1.00 0.00 C ATOM 715 O VAL A 45 -12.360 -0.375 3.550 1.00 0.00 O ATOM 716 CB VAL A 45 -9.204 -0.914 3.070 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.425 -0.125 4.123 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.267 -1.914 2.386 1.00 0.00 C ATOM 0 H VAL A 45 -10.562 -2.577 1.832 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.970 -2.236 4.591 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.608 -0.227 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.607 0.412 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.091 0.587 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.021 -0.812 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.449 -1.377 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.863 -2.601 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.821 -2.477 1.635 1.00 0.00 H new ATOM 728 N GLU A 46 -11.220 -0.133 5.412 1.00 0.00 N ATOM 729 CA GLU A 46 -12.206 0.853 5.934 1.00 0.00 C ATOM 730 C GLU A 46 -11.678 2.267 5.704 1.00 0.00 C ATOM 731 O GLU A 46 -10.566 2.595 6.069 1.00 0.00 O ATOM 732 CB GLU A 46 -12.424 0.633 7.429 1.00 0.00 C ATOM 733 CG GLU A 46 -11.092 0.287 8.097 1.00 0.00 C ATOM 734 CD GLU A 46 -11.233 0.414 9.615 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.647 -0.552 10.235 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.925 1.476 10.131 1.00 0.00 O ATOM 0 H GLU A 46 -10.436 -0.337 6.033 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.153 0.722 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.847 1.530 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.142 -0.172 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.793 -0.727 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.309 0.954 7.737 1.00 0.00 H new ATOM 743 N TYR A 47 -12.474 3.103 5.103 1.00 0.00 N ATOM 744 CA TYR A 47 -12.039 4.504 4.834 1.00 0.00 C ATOM 745 C TYR A 47 -12.915 5.459 5.660 1.00 0.00 C ATOM 746 O TYR A 47 -13.920 5.039 6.197 1.00 0.00 O ATOM 747 CB TYR A 47 -12.199 4.782 3.332 1.00 0.00 C ATOM 748 CG TYR A 47 -11.178 3.981 2.542 1.00 0.00 C ATOM 749 CD1 TYR A 47 -10.115 3.335 3.192 1.00 0.00 C ATOM 750 CD2 TYR A 47 -11.298 3.881 1.151 1.00 0.00 C ATOM 751 CE1 TYR A 47 -9.185 2.596 2.453 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.365 3.143 0.419 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.309 2.501 1.068 1.00 0.00 C ATOM 754 OH TYR A 47 -8.392 1.772 0.341 1.00 0.00 O ATOM 0 H TYR A 47 -13.416 2.876 4.783 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.996 4.652 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.207 4.519 3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.069 5.846 3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.015 3.409 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.113 4.375 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.370 2.098 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.461 3.069 -0.654 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.495 2.139 0.484 1.00 0.00 H new ATOM 764 N PRO A 48 -12.520 6.713 5.760 1.00 0.00 N ATOM 765 CA PRO A 48 -11.300 7.261 5.119 1.00 0.00 C ATOM 766 C PRO A 48 -10.033 6.576 5.634 1.00 0.00 C ATOM 767 O PRO A 48 -9.831 6.419 6.822 1.00 0.00 O ATOM 768 CB PRO A 48 -11.287 8.747 5.507 1.00 0.00 C ATOM 769 CG PRO A 48 -12.526 9.016 6.395 1.00 0.00 C ATOM 770 CD PRO A 48 -13.293 7.694 6.541 1.00 0.00 C ATOM 0 HA PRO A 48 -11.315 7.102 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.371 8.993 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.312 9.374 4.616 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.222 9.391 7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.161 9.779 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.367 7.395 7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.311 7.785 6.162 1.00 0.00 H new ATOM 778 N LEU A 49 -9.176 6.175 4.735 1.00 0.00 N ATOM 779 CA LEU A 49 -7.910 5.504 5.141 1.00 0.00 C ATOM 780 C LEU A 49 -6.751 6.467 4.925 1.00 0.00 C ATOM 781 O LEU A 49 -6.825 7.374 4.127 1.00 0.00 O ATOM 782 CB LEU A 49 -7.696 4.256 4.259 1.00 0.00 C ATOM 783 CG LEU A 49 -6.199 3.921 4.115 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.672 3.300 5.410 1.00 0.00 C ATOM 785 CD2 LEU A 49 -6.004 2.938 2.956 1.00 0.00 C ATOM 0 H LEU A 49 -9.301 6.285 3.729 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.963 5.212 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.221 3.406 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.129 4.426 3.273 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.647 4.838 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.613 3.067 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.803 4.005 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.224 2.385 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.945 2.701 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.563 2.024 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.365 3.389 2.032 1.00 0.00 H new ATOM 797 N VAL A 50 -5.663 6.238 5.591 1.00 0.00 N ATOM 798 CA VAL A 50 -4.476 7.097 5.378 1.00 0.00 C ATOM 799 C VAL A 50 -3.344 6.197 4.877 1.00 0.00 C ATOM 800 O VAL A 50 -3.159 5.098 5.357 1.00 0.00 O ATOM 801 CB VAL A 50 -4.074 7.793 6.698 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.644 7.413 7.098 1.00 0.00 C ATOM 803 CG2 VAL A 50 -4.133 9.307 6.513 1.00 0.00 C ATOM 0 H VAL A 50 -5.544 5.491 6.276 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.691 7.878 4.649 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.766 7.473 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.382 7.914 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.579 6.334 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.953 7.721 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.850 9.799 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.445 9.604 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.147 9.601 6.241 1.00 0.00 H new ATOM 813 N LEU A 51 -2.567 6.658 3.953 1.00 0.00 N ATOM 814 CA LEU A 51 -1.433 5.830 3.479 1.00 0.00 C ATOM 815 C LEU A 51 -0.164 6.619 3.744 1.00 0.00 C ATOM 816 O LEU A 51 0.323 7.343 2.898 1.00 0.00 O ATOM 817 CB LEU A 51 -1.553 5.513 1.982 1.00 0.00 C ATOM 818 CG LEU A 51 -0.349 4.667 1.554 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.379 3.329 2.285 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.405 4.394 0.055 1.00 0.00 C ATOM 0 H LEU A 51 -2.664 7.569 3.504 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.425 4.876 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.480 4.976 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.590 6.436 1.403 1.00 0.00 H new ATOM 0 HG LEU A 51 0.563 5.213 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.478 2.728 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.337 3.501 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.299 2.800 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.455 3.792 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.322 3.855 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.388 5.339 -0.488 1.00 0.00 H new ATOM 832 N GLU A 52 0.360 6.503 4.929 1.00 0.00 N ATOM 833 CA GLU A 52 1.585 7.260 5.270 1.00 0.00 C ATOM 834 C GLU A 52 2.781 6.548 4.649 1.00 0.00 C ATOM 835 O GLU A 52 3.483 5.787 5.289 1.00 0.00 O ATOM 836 CB GLU A 52 1.725 7.330 6.792 1.00 0.00 C ATOM 837 CG GLU A 52 3.154 7.731 7.164 1.00 0.00 C ATOM 838 CD GLU A 52 3.123 8.665 8.375 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.928 9.853 8.177 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.296 8.176 9.479 1.00 0.00 O ATOM 0 H GLU A 52 -0.010 5.915 5.675 1.00 0.00 H new ATOM 0 HA GLU A 52 1.532 8.277 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.017 8.053 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.482 6.363 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.745 6.843 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.635 8.227 6.321 1.00 0.00 H new ATOM 847 N TRP A 53 3.003 6.791 3.389 1.00 0.00 N ATOM 848 CA TRP A 53 4.135 6.145 2.688 1.00 0.00 C ATOM 849 C TRP A 53 5.438 6.816 3.129 1.00 0.00 C ATOM 850 O TRP A 53 5.513 8.023 3.248 1.00 0.00 O ATOM 851 CB TRP A 53 3.944 6.310 1.181 1.00 0.00 C ATOM 852 CG TRP A 53 4.648 5.203 0.475 1.00 0.00 C ATOM 853 CD1 TRP A 53 5.969 4.940 0.586 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.104 4.205 -0.442 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.274 3.851 -0.203 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.162 3.366 -0.857 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.813 3.945 -0.955 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.959 2.318 -1.739 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.609 2.877 -1.854 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.683 2.069 -2.244 1.00 0.00 C ATOM 0 H TRP A 53 2.440 7.417 2.813 1.00 0.00 H new ATOM 0 HA TRP A 53 4.177 5.083 2.930 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.883 6.299 0.933 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.337 7.273 0.856 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.671 5.492 1.193 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.209 3.453 -0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.980 4.566 -0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.789 1.694 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.620 2.682 -2.243 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.524 1.254 -2.935 1.00 0.00 H new ATOM 871 N ARG A 54 6.459 6.049 3.387 1.00 0.00 N ATOM 872 CA ARG A 54 7.745 6.653 3.836 1.00 0.00 C ATOM 873 C ARG A 54 8.771 6.610 2.693 1.00 0.00 C ATOM 874 O ARG A 54 8.493 7.037 1.589 1.00 0.00 O ATOM 875 CB ARG A 54 8.266 5.879 5.051 1.00 0.00 C ATOM 876 CG ARG A 54 9.326 6.713 5.776 1.00 0.00 C ATOM 877 CD ARG A 54 8.646 7.696 6.731 1.00 0.00 C ATOM 878 NE ARG A 54 9.604 8.087 7.803 1.00 0.00 N ATOM 879 CZ ARG A 54 9.361 9.131 8.547 1.00 0.00 C ATOM 880 NH1 ARG A 54 8.410 9.090 9.439 1.00 0.00 N ATOM 881 NH2 ARG A 54 10.072 10.216 8.400 1.00 0.00 N ATOM 0 H ARG A 54 6.460 5.032 3.307 1.00 0.00 H new ATOM 0 HA ARG A 54 7.584 7.694 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.444 5.649 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.692 4.927 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.000 6.060 6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.933 7.256 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.313 8.579 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.759 7.239 7.170 1.00 0.00 H new ATOM 0 HE ARG A 54 10.450 7.538 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.856 8.242 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.221 9.906 10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.817 10.247 7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.883 11.033 8.981 1.00 0.00 H new ATOM 895 N GLN A 55 9.957 6.112 2.941 1.00 0.00 N ATOM 896 CA GLN A 55 10.987 6.062 1.867 1.00 0.00 C ATOM 897 C GLN A 55 10.380 5.502 0.580 1.00 0.00 C ATOM 898 O GLN A 55 10.107 4.323 0.474 1.00 0.00 O ATOM 899 CB GLN A 55 12.140 5.161 2.314 1.00 0.00 C ATOM 900 CG GLN A 55 13.185 5.997 3.055 1.00 0.00 C ATOM 901 CD GLN A 55 14.183 5.071 3.754 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.860 5.477 4.677 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.304 3.835 3.351 1.00 0.00 N ATOM 0 H GLN A 55 10.253 5.738 3.843 1.00 0.00 H new ATOM 0 HA GLN A 55 11.354 7.071 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.766 4.369 2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.593 4.677 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.707 6.648 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.698 6.641 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.736 3.493 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.967 3.211 3.811 1.00 0.00 H new ATOM 912 N PHE A 56 10.180 6.334 -0.405 1.00 0.00 N ATOM 913 CA PHE A 56 9.608 5.839 -1.687 1.00 0.00 C ATOM 914 C PHE A 56 10.734 5.703 -2.712 1.00 0.00 C ATOM 915 O PHE A 56 11.667 6.480 -2.719 1.00 0.00 O ATOM 916 CB PHE A 56 8.552 6.818 -2.203 1.00 0.00 C ATOM 917 CG PHE A 56 7.412 6.041 -2.821 1.00 0.00 C ATOM 918 CD1 PHE A 56 7.640 5.241 -3.948 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.128 6.119 -2.269 1.00 0.00 C ATOM 920 CE1 PHE A 56 6.585 4.521 -4.522 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.073 5.399 -2.843 1.00 0.00 C ATOM 922 CZ PHE A 56 5.302 4.601 -3.970 1.00 0.00 C ATOM 0 H PHE A 56 10.388 7.332 -0.377 1.00 0.00 H new ATOM 0 HA PHE A 56 9.136 4.870 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.184 7.438 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.991 7.490 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.630 5.179 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.951 6.735 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.762 3.904 -5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.083 5.459 -2.416 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.488 4.047 -4.414 1.00 0.00 H new ATOM 932 N GLU A 57 10.655 4.711 -3.563 1.00 0.00 N ATOM 933 CA GLU A 57 11.721 4.493 -4.588 1.00 0.00 C ATOM 934 C GLU A 57 12.871 3.703 -3.958 1.00 0.00 C ATOM 935 O GLU A 57 13.364 2.747 -4.522 1.00 0.00 O ATOM 936 CB GLU A 57 12.247 5.832 -5.101 1.00 0.00 C ATOM 937 CG GLU A 57 12.311 5.803 -6.629 1.00 0.00 C ATOM 938 CD GLU A 57 13.451 6.702 -7.112 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.222 7.147 -6.279 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.533 6.929 -8.308 1.00 0.00 O ATOM 0 H GLU A 57 9.890 4.037 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 57 11.300 3.936 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.597 6.642 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.237 6.028 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.467 4.782 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.364 6.142 -7.049 1.00 0.00 H new ATOM 947 N GLN A 58 13.297 4.095 -2.788 1.00 0.00 N ATOM 948 CA GLN A 58 14.403 3.377 -2.111 1.00 0.00 C ATOM 949 C GLN A 58 13.981 1.930 -1.866 1.00 0.00 C ATOM 950 O GLN A 58 14.766 1.014 -1.997 1.00 0.00 O ATOM 951 CB GLN A 58 14.705 4.054 -0.772 1.00 0.00 C ATOM 952 CG GLN A 58 15.267 5.455 -1.022 1.00 0.00 C ATOM 953 CD GLN A 58 16.793 5.417 -0.928 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.421 4.295 -1.148 1.00 0.00 O flip ATOM 955 NE2 GLN A 58 17.421 6.420 -0.651 1.00 0.00 N flip ATOM 0 H GLN A 58 12.920 4.890 -2.271 1.00 0.00 H new ATOM 0 HA GLN A 58 15.295 3.400 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.797 4.117 -0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.421 3.459 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.961 5.811 -2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.864 6.156 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.930 7.298 -0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.439 6.384 -0.591 1.00 0.00 H new ATOM 964 N SER A 59 12.741 1.720 -1.515 1.00 0.00 N ATOM 965 CA SER A 59 12.257 0.333 -1.266 1.00 0.00 C ATOM 966 C SER A 59 11.417 -0.123 -2.458 1.00 0.00 C ATOM 967 O SER A 59 10.705 -1.105 -2.391 1.00 0.00 O ATOM 968 CB SER A 59 11.404 0.307 0.003 1.00 0.00 C ATOM 969 OG SER A 59 11.668 -0.891 0.721 1.00 0.00 O ATOM 0 H SER A 59 12.041 2.451 -1.390 1.00 0.00 H new ATOM 0 HA SER A 59 13.108 -0.336 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.629 1.174 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.346 0.365 -0.254 1.00 0.00 H new ATOM 0 HG SER A 59 12.073 -0.671 1.586 1.00 0.00 H new ATOM 975 N LYS A 60 11.497 0.586 -3.552 1.00 0.00 N ATOM 976 CA LYS A 60 10.707 0.200 -4.753 1.00 0.00 C ATOM 977 C LYS A 60 11.645 -0.437 -5.782 1.00 0.00 C ATOM 978 O LYS A 60 11.448 -1.561 -6.202 1.00 0.00 O ATOM 979 CB LYS A 60 10.053 1.452 -5.353 1.00 0.00 C ATOM 980 CG LYS A 60 8.902 1.952 -4.457 1.00 0.00 C ATOM 981 CD LYS A 60 9.213 1.684 -2.977 1.00 0.00 C ATOM 982 CE LYS A 60 8.141 2.303 -2.079 1.00 0.00 C ATOM 983 NZ LYS A 60 7.713 1.297 -1.065 1.00 0.00 N ATOM 0 H LYS A 60 12.077 1.417 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 60 9.931 -0.513 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.799 2.238 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.673 1.227 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.749 3.020 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.974 1.453 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.267 0.610 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.189 2.098 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.532 3.192 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.287 2.621 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.706 1.433 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.858 0.339 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.276 1.416 -0.199 1.00 0.00 H new ATOM 997 N GLN A 61 12.668 0.269 -6.187 1.00 0.00 N ATOM 998 CA GLN A 61 13.621 -0.300 -7.182 1.00 0.00 C ATOM 999 C GLN A 61 14.067 -1.687 -6.713 1.00 0.00 C ATOM 1000 O GLN A 61 13.591 -2.695 -7.194 1.00 0.00 O ATOM 1001 CB GLN A 61 14.844 0.614 -7.293 1.00 0.00 C ATOM 1002 CG GLN A 61 14.817 1.350 -8.634 1.00 0.00 C ATOM 1003 CD GLN A 61 16.077 2.207 -8.770 1.00 0.00 C ATOM 1004 OE1 GLN A 61 15.994 3.399 -8.990 1.00 0.00 O ATOM 1005 NE2 GLN A 61 17.249 1.647 -8.646 1.00 0.00 N ATOM 0 H GLN A 61 12.884 1.215 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 61 13.135 -0.378 -8.154 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.849 1.332 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.758 0.026 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.761 0.633 -9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.928 1.978 -8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.319 0.646 -8.461 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.095 2.210 -8.734 1.00 0.00 H new ATOM 1014 N LEU A 62 14.977 -1.715 -5.768 1.00 0.00 N ATOM 1015 CA LEU A 62 15.507 -2.999 -5.194 1.00 0.00 C ATOM 1016 C LEU A 62 14.551 -4.158 -5.465 1.00 0.00 C ATOM 1017 O LEU A 62 14.909 -5.133 -6.094 1.00 0.00 O ATOM 1018 CB LEU A 62 15.673 -2.872 -3.671 1.00 0.00 C ATOM 1019 CG LEU A 62 15.299 -1.469 -3.180 1.00 0.00 C ATOM 1020 CD1 LEU A 62 13.792 -1.218 -3.365 1.00 0.00 C ATOM 1021 CD2 LEU A 62 15.656 -1.364 -1.695 1.00 0.00 C ATOM 0 H LEU A 62 15.388 -0.877 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 62 16.468 -3.195 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.047 -3.612 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.705 -3.091 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 62 15.846 -0.724 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.544 -0.217 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.536 -1.304 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.228 -1.955 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.397 -0.371 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.101 -2.115 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.725 -1.531 -1.565 1.00 0.00 H new ATOM 1033 N THR A 63 13.338 -4.061 -4.991 1.00 0.00 N ATOM 1034 CA THR A 63 12.361 -5.155 -5.225 1.00 0.00 C ATOM 1035 C THR A 63 11.689 -4.931 -6.579 1.00 0.00 C ATOM 1036 O THR A 63 10.497 -4.745 -6.653 1.00 0.00 O ATOM 1037 CB THR A 63 11.307 -5.190 -4.102 1.00 0.00 C ATOM 1038 OG1 THR A 63 10.105 -5.756 -4.604 1.00 0.00 O ATOM 1039 CG2 THR A 63 11.023 -3.778 -3.577 1.00 0.00 C ATOM 0 H THR A 63 12.984 -3.270 -4.452 1.00 0.00 H new ATOM 0 HA THR A 63 12.880 -6.113 -5.225 1.00 0.00 H new ATOM 0 HB THR A 63 11.692 -5.795 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.676 -5.123 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.276 -3.828 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.942 -3.345 -3.182 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.649 -3.156 -4.390 1.00 0.00 H new ATOM 1047 N GLU A 64 12.480 -4.959 -7.636 1.00 0.00 N ATOM 1048 CA GLU A 64 11.982 -4.767 -9.039 1.00 0.00 C ATOM 1049 C GLU A 64 10.577 -4.164 -9.079 1.00 0.00 C ATOM 1050 O GLU A 64 10.414 -3.007 -9.410 1.00 0.00 O ATOM 1051 CB GLU A 64 11.982 -6.121 -9.743 1.00 0.00 C ATOM 1052 CG GLU A 64 11.924 -5.912 -11.257 1.00 0.00 C ATOM 1053 CD GLU A 64 11.583 -7.236 -11.943 1.00 0.00 C ATOM 1054 OE1 GLU A 64 12.073 -8.258 -11.491 1.00 0.00 O ATOM 1055 OE2 GLU A 64 10.839 -7.205 -12.909 1.00 0.00 O ATOM 0 H GLU A 64 13.487 -5.113 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 64 12.645 -4.065 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.879 -6.680 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.128 -6.713 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.174 -5.160 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.881 -5.538 -11.620 1.00 0.00 H new ATOM 1062 N ASN A 65 9.574 -4.948 -8.753 1.00 0.00 N ATOM 1063 CA ASN A 65 8.159 -4.458 -8.763 1.00 0.00 C ATOM 1064 C ASN A 65 8.106 -2.935 -8.617 1.00 0.00 C ATOM 1065 O ASN A 65 7.407 -2.264 -9.351 1.00 0.00 O ATOM 1066 CB ASN A 65 7.397 -5.100 -7.602 1.00 0.00 C ATOM 1067 CG ASN A 65 5.893 -4.930 -7.822 1.00 0.00 C ATOM 1068 OD1 ASN A 65 5.420 -3.833 -8.041 1.00 0.00 O ATOM 1069 ND2 ASN A 65 5.117 -5.978 -7.774 1.00 0.00 N ATOM 0 H ASN A 65 9.680 -5.924 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 65 7.703 -4.732 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.647 -6.158 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.692 -4.638 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.113 -5.876 -7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.515 -6.899 -7.590 1.00 0.00 H new ATOM 1076 N GLY A 66 8.831 -2.372 -7.683 1.00 0.00 N ATOM 1077 CA GLY A 66 8.789 -0.897 -7.530 1.00 0.00 C ATOM 1078 C GLY A 66 7.418 -0.507 -6.988 1.00 0.00 C ATOM 1079 O GLY A 66 6.510 -0.172 -7.722 1.00 0.00 O ATOM 0 H GLY A 66 9.440 -2.867 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.574 -0.564 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.970 -0.411 -8.489 1.00 0.00 H new ATOM 1083 N ALA A 67 7.279 -0.567 -5.702 1.00 0.00 N ATOM 1084 CA ALA A 67 5.995 -0.224 -5.030 1.00 0.00 C ATOM 1085 C ALA A 67 5.252 0.907 -5.751 1.00 0.00 C ATOM 1086 O ALA A 67 4.046 1.005 -5.667 1.00 0.00 O ATOM 1087 CB ALA A 67 6.342 0.236 -3.633 1.00 0.00 C ATOM 0 H ALA A 67 8.023 -0.848 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 67 5.342 -1.097 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.429 0.499 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.854 -0.567 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.994 1.108 -3.688 1.00 0.00 H new ATOM 1093 N GLU A 68 5.961 1.774 -6.423 1.00 0.00 N ATOM 1094 CA GLU A 68 5.307 2.919 -7.130 1.00 0.00 C ATOM 1095 C GLU A 68 3.927 2.518 -7.675 1.00 0.00 C ATOM 1096 O GLU A 68 3.033 3.334 -7.775 1.00 0.00 O ATOM 1097 CB GLU A 68 6.197 3.356 -8.292 1.00 0.00 C ATOM 1098 CG GLU A 68 6.624 4.805 -8.079 1.00 0.00 C ATOM 1099 CD GLU A 68 7.337 5.321 -9.330 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.238 4.668 -10.356 1.00 0.00 O ATOM 1101 OE2 GLU A 68 7.971 6.360 -9.241 1.00 0.00 O ATOM 0 H GLU A 68 6.976 1.739 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 68 5.173 3.736 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.074 2.712 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.659 3.258 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.752 5.423 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.286 4.876 -7.216 1.00 0.00 H new ATOM 1108 N SER A 69 3.748 1.276 -8.033 1.00 0.00 N ATOM 1109 CA SER A 69 2.427 0.837 -8.576 1.00 0.00 C ATOM 1110 C SER A 69 1.390 0.745 -7.447 1.00 0.00 C ATOM 1111 O SER A 69 0.301 1.280 -7.546 1.00 0.00 O ATOM 1112 CB SER A 69 2.581 -0.533 -9.235 1.00 0.00 C ATOM 1113 OG SER A 69 1.768 -0.588 -10.400 1.00 0.00 O ATOM 0 H SER A 69 4.457 0.545 -7.974 1.00 0.00 H new ATOM 0 HA SER A 69 2.086 1.567 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.624 -0.708 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.291 -1.319 -8.538 1.00 0.00 H new ATOM 0 HG SER A 69 2.179 -1.187 -11.058 1.00 0.00 H new ATOM 1119 N VAL A 70 1.718 0.078 -6.372 1.00 0.00 N ATOM 1120 CA VAL A 70 0.758 -0.041 -5.246 1.00 0.00 C ATOM 1121 C VAL A 70 0.249 1.353 -4.908 1.00 0.00 C ATOM 1122 O VAL A 70 -0.929 1.573 -4.700 1.00 0.00 O ATOM 1123 CB VAL A 70 1.480 -0.645 -4.039 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.649 -0.433 -2.776 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.681 -2.145 -4.268 1.00 0.00 C ATOM 0 H VAL A 70 2.613 -0.389 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.080 -0.684 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 70 2.447 -0.157 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.169 -0.865 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.504 0.635 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.321 -0.917 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.195 -2.578 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.711 -2.627 -4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.280 -2.299 -5.166 1.00 0.00 H new ATOM 1135 N LEU A 71 1.135 2.303 -4.880 1.00 0.00 N ATOM 1136 CA LEU A 71 0.714 3.694 -4.586 1.00 0.00 C ATOM 1137 C LEU A 71 -0.295 4.118 -5.645 1.00 0.00 C ATOM 1138 O LEU A 71 -1.335 4.653 -5.344 1.00 0.00 O ATOM 1139 CB LEU A 71 1.923 4.618 -4.653 1.00 0.00 C ATOM 1140 CG LEU A 71 1.468 6.065 -4.468 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.366 6.384 -2.976 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.484 7.005 -5.121 1.00 0.00 C ATOM 0 H LEU A 71 2.133 2.176 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 71 0.273 3.750 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.643 4.350 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.429 4.504 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 71 0.492 6.200 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.041 7.416 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.643 5.715 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.341 6.248 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.161 8.038 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.459 6.868 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.557 6.780 -6.185 1.00 0.00 H new ATOM 1154 N GLN A 72 0.008 3.870 -6.889 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.934 4.246 -7.976 1.00 0.00 C ATOM 1156 C GLN A 72 -2.297 3.632 -7.679 1.00 0.00 C ATOM 1157 O GLN A 72 -3.323 4.181 -8.015 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.414 3.708 -9.309 1.00 0.00 C ATOM 1159 CG GLN A 72 -0.226 4.861 -10.296 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.218 4.317 -11.729 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.152 3.027 -11.934 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 -0.275 5.077 -12.676 1.00 0.00 N flip ATOM 0 H GLN A 72 0.870 3.422 -7.199 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.020 5.331 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.532 3.189 -9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.115 2.980 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.029 5.589 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.709 5.381 -10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.327 6.084 -12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.271 4.708 -13.627 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.313 2.493 -7.051 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.604 1.843 -6.720 1.00 0.00 C ATOM 1173 C VAL A 73 -4.233 2.568 -5.532 1.00 0.00 C ATOM 1174 O VAL A 73 -5.437 2.660 -5.423 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.354 0.374 -6.360 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.552 -0.221 -5.607 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.102 -0.427 -7.641 1.00 0.00 C ATOM 0 H VAL A 73 -1.482 1.983 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.278 1.892 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.481 0.321 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.348 -1.264 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.719 0.340 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.442 -0.162 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.924 -1.472 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.973 -0.355 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.230 -0.025 -8.156 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.437 3.078 -4.634 1.00 0.00 N ATOM 1188 CA PHE A 74 -4.023 3.790 -3.461 1.00 0.00 C ATOM 1189 C PHE A 74 -4.647 5.110 -3.935 1.00 0.00 C ATOM 1190 O PHE A 74 -5.732 5.486 -3.527 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.930 4.069 -2.424 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.923 2.966 -1.394 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.947 2.889 -0.443 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.890 2.021 -1.389 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.938 1.867 0.513 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.881 0.999 -0.433 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.905 0.923 0.518 1.00 0.00 C ATOM 0 H PHE A 74 -2.418 3.035 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.792 3.169 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.958 4.132 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.107 5.030 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.744 3.618 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.100 2.081 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.728 1.807 1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.085 0.270 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.898 0.135 1.256 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.975 5.802 -4.809 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.511 7.080 -5.333 1.00 0.00 C ATOM 1209 C ARG A 75 -5.715 6.775 -6.207 1.00 0.00 C ATOM 1210 O ARG A 75 -6.771 7.332 -6.039 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.457 7.774 -6.191 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.112 7.800 -5.462 1.00 0.00 C ATOM 1213 CD ARG A 75 -0.981 7.815 -6.495 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.112 9.009 -6.282 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.638 10.152 -5.934 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.787 10.521 -6.432 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -0.013 10.927 -5.090 1.00 0.00 N ATOM 0 H ARG A 75 -3.067 5.531 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.787 7.727 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.352 7.253 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.775 8.792 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.048 8.680 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.018 6.928 -4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.388 6.904 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.397 7.833 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 75 0.897 8.932 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.274 9.916 -7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.198 11.414 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.886 10.639 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.423 11.820 -4.818 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.542 5.880 -7.137 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.652 5.489 -8.048 1.00 0.00 C ATOM 1233 C GLU A 76 -7.886 5.172 -7.211 1.00 0.00 C ATOM 1234 O GLU A 76 -8.966 5.661 -7.468 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.224 4.240 -8.802 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.600 4.613 -10.146 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.705 4.823 -11.183 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.197 5.935 -11.279 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.039 3.868 -11.865 1.00 0.00 O ATOM 0 H GLU A 76 -4.662 5.394 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.881 6.294 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.507 3.676 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.085 3.592 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.006 5.521 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.923 3.825 -10.475 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.726 4.362 -6.200 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.875 4.030 -5.331 1.00 0.00 C ATOM 1248 C ALA A 77 -9.393 5.340 -4.753 1.00 0.00 C ATOM 1249 O ALA A 77 -10.582 5.578 -4.674 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.425 3.101 -4.201 1.00 0.00 C ATOM 0 H ALA A 77 -6.844 3.918 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.655 3.520 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.278 2.861 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.019 2.183 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.657 3.596 -3.607 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.493 6.212 -4.382 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.915 7.533 -3.849 1.00 0.00 C ATOM 1258 C LYS A 78 -9.748 8.223 -4.923 1.00 0.00 C ATOM 1259 O LYS A 78 -10.659 8.979 -4.650 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.673 8.374 -3.586 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.829 9.137 -2.268 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.864 10.640 -2.550 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.436 11.184 -2.604 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.185 12.042 -1.411 1.00 0.00 N ATOM 0 H LYS A 78 -7.485 6.063 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.487 7.413 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.792 7.734 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.518 9.075 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.745 8.829 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.002 8.901 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.373 10.831 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.431 11.153 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.723 10.360 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.290 11.761 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.214 12.412 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.858 12.835 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.308 11.478 -0.546 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.416 7.951 -6.151 1.00 0.00 N ATOM 1279 CA ALA A 79 -10.130 8.547 -7.296 1.00 0.00 C ATOM 1280 C ALA A 79 -11.494 7.880 -7.427 1.00 0.00 C ATOM 1281 O ALA A 79 -12.455 8.461 -7.891 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.307 8.276 -8.551 1.00 0.00 C ATOM 0 H ALA A 79 -8.656 7.321 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.265 9.620 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.811 8.706 -9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.321 8.728 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.200 7.200 -8.691 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.564 6.648 -7.021 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.827 5.878 -7.103 1.00 0.00 C ATOM 1290 C GLU A 80 -13.880 6.465 -6.157 1.00 0.00 C ATOM 1291 O GLU A 80 -15.007 6.011 -6.117 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.528 4.432 -6.709 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.168 3.632 -7.958 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.294 3.752 -8.988 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.201 2.938 -8.943 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.229 4.656 -9.805 1.00 0.00 O ATOM 0 H GLU A 80 -10.778 6.131 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.221 5.925 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.706 4.401 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.395 3.990 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.234 4.001 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.009 2.585 -7.698 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.528 7.458 -5.389 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.514 8.053 -4.445 1.00 0.00 C ATOM 1305 C GLY A 81 -14.094 7.709 -3.019 1.00 0.00 C ATOM 1306 O GLY A 81 -14.535 8.316 -2.063 1.00 0.00 O ATOM 0 H GLY A 81 -12.601 7.883 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.558 9.134 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.513 7.667 -4.648 1.00 0.00 H new ATOM 1310 N CYS A 82 -13.236 6.738 -2.873 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.770 6.347 -1.518 1.00 0.00 C ATOM 1312 C CYS A 82 -11.984 7.505 -0.904 1.00 0.00 C ATOM 1313 O CYS A 82 -11.457 8.347 -1.603 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.867 5.121 -1.639 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.877 3.618 -1.618 1.00 0.00 S ATOM 0 H CYS A 82 -12.837 6.197 -3.640 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.624 6.112 -0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -11.291 5.171 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.151 5.102 -0.817 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.544 2.886 -0.597 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.904 7.563 0.397 1.00 0.00 N ATOM 1322 CA ASP A 83 -11.157 8.675 1.043 1.00 0.00 C ATOM 1323 C ASP A 83 -9.828 8.156 1.602 1.00 0.00 C ATOM 1324 O ASP A 83 -9.619 8.117 2.798 1.00 0.00 O ATOM 1325 CB ASP A 83 -12.000 9.254 2.178 1.00 0.00 C ATOM 1326 CG ASP A 83 -11.451 10.626 2.576 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.273 10.704 2.882 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -12.218 11.574 2.568 1.00 0.00 O ATOM 0 H ASP A 83 -12.323 6.889 1.038 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.952 9.450 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.040 9.344 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.984 8.582 3.036 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.925 7.766 0.743 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.606 7.262 1.222 1.00 0.00 C ATOM 1335 C ILE A 84 -6.599 8.417 1.222 1.00 0.00 C ATOM 1336 O ILE A 84 -5.841 8.591 0.288 1.00 0.00 O ATOM 1337 CB ILE A 84 -7.098 6.171 0.285 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.949 4.919 0.446 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.646 5.849 0.633 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.360 4.426 -0.938 1.00 0.00 C ATOM 0 H ILE A 84 -9.044 7.775 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.720 6.857 2.228 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.162 6.517 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.388 4.146 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.832 5.137 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.276 5.069 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.037 6.745 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.587 5.502 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.971 3.529 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.935 5.201 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.469 4.195 -1.522 1.00 0.00 H new ATOM 1352 N THR A 85 -6.582 9.206 2.257 1.00 0.00 N ATOM 1353 CA THR A 85 -5.622 10.344 2.313 1.00 0.00 C ATOM 1354 C THR A 85 -4.205 9.824 2.067 1.00 0.00 C ATOM 1355 O THR A 85 -3.558 9.313 2.959 1.00 0.00 O ATOM 1356 CB THR A 85 -5.693 11.005 3.693 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.898 11.751 3.798 1.00 0.00 O ATOM 1358 CG2 THR A 85 -4.496 11.940 3.881 1.00 0.00 C ATOM 0 H THR A 85 -7.192 9.113 3.069 1.00 0.00 H new ATOM 0 HA THR A 85 -5.879 11.076 1.548 1.00 0.00 H new ATOM 0 HB THR A 85 -5.672 10.234 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.946 12.173 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.551 12.408 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.572 11.368 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.512 12.711 3.111 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.715 9.949 0.864 1.00 0.00 N ATOM 1367 CA ILE A 86 -2.339 9.459 0.567 1.00 0.00 C ATOM 1368 C ILE A 86 -1.317 10.401 1.204 1.00 0.00 C ATOM 1369 O ILE A 86 -1.130 11.518 0.763 1.00 0.00 O ATOM 1370 CB ILE A 86 -2.120 9.420 -0.947 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.308 8.727 -1.618 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.841 8.642 -1.256 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -3.292 7.238 -1.270 1.00 0.00 C ATOM 0 H ILE A 86 -4.207 10.369 0.075 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.217 8.455 0.975 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.030 10.438 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.242 9.179 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.257 8.859 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.684 8.614 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.007 9.132 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.933 7.625 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.138 6.744 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.363 6.791 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.363 7.116 -0.189 1.00 0.00 H new ATOM 1385 N ILE A 87 -0.648 9.960 2.233 1.00 0.00 N ATOM 1386 CA ILE A 87 0.365 10.835 2.887 1.00 0.00 C ATOM 1387 C ILE A 87 1.758 10.431 2.404 1.00 0.00 C ATOM 1388 O ILE A 87 2.335 9.467 2.868 1.00 0.00 O ATOM 1389 CB ILE A 87 0.276 10.681 4.406 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -1.025 11.318 4.905 1.00 0.00 C ATOM 1391 CG2 ILE A 87 1.470 11.378 5.060 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.971 11.475 6.427 1.00 0.00 C ATOM 0 H ILE A 87 -0.758 9.035 2.648 1.00 0.00 H new ATOM 0 HA ILE A 87 0.176 11.876 2.626 1.00 0.00 H new ATOM 0 HB ILE A 87 0.287 9.623 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.169 12.290 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.876 10.698 4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.407 11.269 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.395 10.926 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.460 12.437 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.898 11.928 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.847 10.496 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.129 12.113 6.697 1.00 0.00 H new ATOM 1404 N LEU A 88 2.298 11.157 1.464 1.00 0.00 N ATOM 1405 CA LEU A 88 3.647 10.818 0.935 1.00 0.00 C ATOM 1406 C LEU A 88 4.725 11.484 1.792 1.00 0.00 C ATOM 1407 O LEU A 88 4.724 12.682 1.990 1.00 0.00 O ATOM 1408 CB LEU A 88 3.754 11.309 -0.507 1.00 0.00 C ATOM 1409 CG LEU A 88 2.673 10.642 -1.374 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.215 10.464 -2.785 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.300 9.261 -0.816 1.00 0.00 C ATOM 0 H LEU A 88 1.860 11.974 1.038 1.00 0.00 H new ATOM 0 HA LEU A 88 3.791 9.738 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.640 12.393 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.743 11.080 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 88 1.786 11.275 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.457 9.992 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.473 11.438 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.105 9.835 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.534 8.809 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.183 8.623 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.918 9.370 0.199 1.00 0.00 H new ATOM 1423 N SER A 89 5.647 10.714 2.303 1.00 0.00 N ATOM 1424 CA SER A 89 6.725 11.300 3.147 1.00 0.00 C ATOM 1425 C SER A 89 8.074 11.122 2.447 1.00 0.00 C ATOM 1426 O SER A 89 8.214 11.615 1.340 1.00 0.00 O ATOM 1427 CB SER A 89 6.756 10.588 4.500 1.00 0.00 C ATOM 1428 OG SER A 89 5.991 11.332 5.439 1.00 0.00 O ATOM 1429 OXT SER A 89 8.944 10.496 3.030 1.00 0.00 O ATOM 0 H SER A 89 5.700 9.704 2.172 1.00 0.00 H new ATOM 0 HA SER A 89 6.531 12.362 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.353 9.580 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.784 10.489 4.848 1.00 0.00 H new ATOM 0 HG SER A 89 6.007 10.878 6.307 1.00 0.00 H new TER 1435 SER A 89