USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 33 TYR OH : rot 180:sc= 0.941 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -172:sc= 1.08 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.245) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.433 F(o=-2.2,f=-0.43) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 0.169 (180deg=-0.0393) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.0522 F(o=-0.74,f=-0.052) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0791) USER MOD Single : A 47 TYR OH : rot 9:sc= -0.222 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 95:sc= 1.16 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -0.106 (180deg=-0.688) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.111 F(o=-0.67,f=-0.11) USER MOD Single : A 80 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.044) USER MOD Single : A 84 THR OG1 : rot 48:sc= -6.93! USER MOD Single : A 86 LYS NZ :NH3+ -114:sc= -0.304 (180deg=-2.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.969 USER MOD Single : A 93 LYS NZ :NH3+ -124:sc= 0.728 (180deg=-4.89!) USER MOD Single : A 95 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 98 THR OG1 : rot 44:sc= 0.0453 USER MOD Single : A 99 TYR OH : rot -77:sc= -1.19! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 150:sc= -2.02! USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.591 K(o=0.59,f=-0.37) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -3.332 9.824 4.709 1.00 0.00 N ATOM 98 CA VAL A 9 -2.062 9.109 4.704 1.00 0.00 C ATOM 99 C VAL A 9 -1.944 8.187 5.913 1.00 0.00 C ATOM 100 O VAL A 9 -2.176 8.603 7.048 1.00 0.00 O ATOM 101 CB VAL A 9 -0.869 10.084 4.699 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.439 9.329 4.515 1.00 0.00 C ATOM 103 CG2 VAL A 9 -1.044 11.135 3.614 1.00 0.00 C ATOM 0 HA VAL A 9 -2.039 8.512 3.792 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.835 10.592 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.270 10.035 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.567 8.619 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.419 8.792 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.192 11.815 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.106 10.647 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.960 11.698 3.797 1.00 0.00 H new ATOM 113 N THR A 10 -1.582 6.934 5.661 1.00 0.00 N ATOM 114 CA THR A 10 -1.432 5.952 6.729 1.00 0.00 C ATOM 115 C THR A 10 0.034 5.574 6.918 1.00 0.00 C ATOM 116 O THR A 10 0.718 5.205 5.962 1.00 0.00 O ATOM 117 CB THR A 10 -2.259 4.702 6.422 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.621 5.038 6.228 1.00 0.00 O ATOM 119 CG2 THR A 10 -2.195 3.658 7.516 1.00 0.00 C ATOM 0 H THR A 10 -1.387 6.574 4.727 1.00 0.00 H new ATOM 0 HA THR A 10 -1.795 6.400 7.654 1.00 0.00 H new ATOM 0 HB THR A 10 -1.822 4.282 5.516 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.133 4.226 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.803 2.798 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.162 3.341 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.574 4.082 8.446 1.00 0.00 H new ATOM 127 N VAL A 11 0.509 5.671 8.155 1.00 0.00 N ATOM 128 CA VAL A 11 1.893 5.341 8.473 1.00 0.00 C ATOM 129 C VAL A 11 2.097 3.831 8.547 1.00 0.00 C ATOM 130 O VAL A 11 1.224 3.097 9.009 1.00 0.00 O ATOM 131 CB VAL A 11 2.331 5.980 9.807 1.00 0.00 C ATOM 132 CG1 VAL A 11 1.466 5.477 10.954 1.00 0.00 C ATOM 133 CG2 VAL A 11 3.803 5.705 10.076 1.00 0.00 C ATOM 0 H VAL A 11 -0.045 5.976 8.955 1.00 0.00 H new ATOM 0 HA VAL A 11 2.508 5.745 7.669 1.00 0.00 H new ATOM 0 HB VAL A 11 2.197 7.059 9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.792 5.940 11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.424 5.736 10.765 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.562 4.394 11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.092 6.164 11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.968 4.629 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.405 6.125 9.270 1.00 0.00 H new ATOM 143 N VAL A 12 3.258 3.374 8.087 1.00 0.00 N ATOM 144 CA VAL A 12 3.580 1.951 8.100 1.00 0.00 C ATOM 145 C VAL A 12 4.985 1.717 8.649 1.00 0.00 C ATOM 146 O VAL A 12 5.974 1.843 7.927 1.00 0.00 O ATOM 147 CB VAL A 12 3.479 1.323 6.690 1.00 0.00 C ATOM 148 CG1 VAL A 12 2.750 -0.009 6.753 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.781 2.266 5.717 1.00 0.00 C ATOM 0 H VAL A 12 3.991 3.969 7.701 1.00 0.00 H new ATOM 0 HA VAL A 12 2.847 1.470 8.748 1.00 0.00 H new ATOM 0 HB VAL A 12 4.491 1.151 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.688 -0.437 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.294 -0.691 7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.745 0.145 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.724 1.798 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.774 2.479 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.345 3.196 5.644 1.00 0.00 H new ATOM 159 N VAL A 13 5.064 1.377 9.932 1.00 0.00 N ATOM 160 CA VAL A 13 6.348 1.127 10.581 1.00 0.00 C ATOM 161 C VAL A 13 6.565 -0.367 10.798 1.00 0.00 C ATOM 162 O VAL A 13 5.641 -1.164 10.653 1.00 0.00 O ATOM 163 CB VAL A 13 6.447 1.853 11.940 1.00 0.00 C ATOM 164 CG1 VAL A 13 7.901 2.015 12.357 1.00 0.00 C ATOM 165 CG2 VAL A 13 5.753 3.207 11.883 1.00 0.00 C ATOM 0 H VAL A 13 4.255 1.268 10.543 1.00 0.00 H new ATOM 0 HA VAL A 13 7.121 1.515 9.917 1.00 0.00 H new ATOM 0 HB VAL A 13 5.941 1.242 12.688 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.949 2.529 13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.365 1.033 12.447 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.432 2.599 11.606 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.836 3.699 12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.225 3.826 11.120 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.701 3.066 11.637 1.00 0.00 H new ATOM 175 N ALA A 14 7.792 -0.743 11.144 1.00 0.00 N ATOM 176 CA ALA A 14 8.126 -2.145 11.378 1.00 0.00 C ATOM 177 C ALA A 14 7.154 -2.797 12.358 1.00 0.00 C ATOM 178 O ALA A 14 6.743 -3.942 12.170 1.00 0.00 O ATOM 179 CB ALA A 14 9.552 -2.264 11.894 1.00 0.00 C ATOM 0 H ALA A 14 8.572 -0.097 11.269 1.00 0.00 H new ATOM 0 HA ALA A 14 8.043 -2.672 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.791 -3.314 12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.241 -1.851 11.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.648 -1.713 12.830 1.00 0.00 H new ATOM 185 N LYS A 15 6.796 -2.064 13.408 1.00 0.00 N ATOM 186 CA LYS A 15 5.880 -2.574 14.423 1.00 0.00 C ATOM 187 C LYS A 15 4.417 -2.330 14.047 1.00 0.00 C ATOM 188 O LYS A 15 3.510 -2.814 14.725 1.00 0.00 O ATOM 189 CB LYS A 15 6.183 -1.926 15.777 1.00 0.00 C ATOM 190 CG LYS A 15 6.942 -2.836 16.729 1.00 0.00 C ATOM 191 CD LYS A 15 6.501 -2.628 18.169 1.00 0.00 C ATOM 192 CE LYS A 15 7.674 -2.724 19.131 1.00 0.00 C ATOM 193 NZ LYS A 15 8.461 -3.971 18.924 1.00 0.00 N ATOM 0 H LYS A 15 7.127 -1.114 13.578 1.00 0.00 H new ATOM 0 HA LYS A 15 6.031 -3.651 14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.764 -1.018 15.614 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.246 -1.625 16.245 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.782 -3.876 16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.011 -2.643 16.643 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.027 -1.651 18.268 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.751 -3.374 18.432 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.324 -1.859 18.999 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.306 -2.693 20.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.046 -4.156 19.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.812 -4.770 18.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.075 -3.860 18.092 1.00 0.00 H new ATOM 207 N ASN A 16 4.186 -1.576 12.975 1.00 0.00 N ATOM 208 CA ASN A 16 2.825 -1.276 12.539 1.00 0.00 C ATOM 209 C ASN A 16 2.439 -2.093 11.309 1.00 0.00 C ATOM 210 O ASN A 16 1.402 -2.755 11.293 1.00 0.00 O ATOM 211 CB ASN A 16 2.682 0.216 12.234 1.00 0.00 C ATOM 212 CG ASN A 16 1.436 0.816 12.856 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.517 1.677 13.732 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.272 0.360 12.405 1.00 0.00 N ATOM 0 H ASN A 16 4.918 -1.164 12.396 1.00 0.00 H new ATOM 0 HA ASN A 16 2.151 -1.546 13.352 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.560 0.745 12.603 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.652 0.362 11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.601 0.725 12.786 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.252 -0.355 11.677 1.00 0.00 H new ATOM 221 N TYR A 17 3.274 -2.032 10.275 1.00 0.00 N ATOM 222 CA TYR A 17 3.013 -2.756 9.035 1.00 0.00 C ATOM 223 C TYR A 17 2.663 -4.218 9.306 1.00 0.00 C ATOM 224 O TYR A 17 1.622 -4.697 8.880 1.00 0.00 O ATOM 225 CB TYR A 17 4.220 -2.644 8.087 1.00 0.00 C ATOM 226 CG TYR A 17 5.066 -3.898 7.978 1.00 0.00 C ATOM 227 CD1 TYR A 17 4.626 -4.995 7.245 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.300 -3.983 8.608 1.00 0.00 C ATOM 229 CE1 TYR A 17 5.393 -6.140 7.144 1.00 0.00 C ATOM 230 CE2 TYR A 17 7.074 -5.125 8.511 1.00 0.00 C ATOM 231 CZ TYR A 17 6.616 -6.199 7.777 1.00 0.00 C ATOM 232 OH TYR A 17 7.383 -7.337 7.679 1.00 0.00 O ATOM 0 H TYR A 17 4.137 -1.488 10.272 1.00 0.00 H new ATOM 0 HA TYR A 17 2.149 -2.299 8.551 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.859 -2.379 7.093 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.854 -1.824 8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.669 -4.951 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.662 -3.144 9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.036 -6.984 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.032 -5.175 9.007 1.00 0.00 H new ATOM 0 HH TYR A 17 8.215 -7.215 8.182 1.00 0.00 H new ATOM 242 N ASN A 18 3.541 -4.923 10.007 1.00 0.00 N ATOM 243 CA ASN A 18 3.323 -6.333 10.320 1.00 0.00 C ATOM 244 C ASN A 18 1.901 -6.593 10.829 1.00 0.00 C ATOM 245 O ASN A 18 1.321 -7.646 10.563 1.00 0.00 O ATOM 246 CB ASN A 18 4.350 -6.808 11.355 1.00 0.00 C ATOM 247 CG ASN A 18 4.039 -6.333 12.764 1.00 0.00 C ATOM 248 OD1 ASN A 18 3.880 -5.024 12.933 1.00 0.00 O flip ATOM 249 ND2 ASN A 18 3.943 -7.135 13.693 1.00 0.00 N flip ATOM 0 H ASN A 18 4.414 -4.542 10.372 1.00 0.00 H new ATOM 0 HA ASN A 18 3.450 -6.899 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.389 -7.897 11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.339 -6.451 11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.072 -8.132 13.521 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.734 -6.802 14.634 1.00 0.00 H new ATOM 256 N GLU A 19 1.353 -5.636 11.570 1.00 0.00 N ATOM 257 CA GLU A 19 0.009 -5.774 12.126 1.00 0.00 C ATOM 258 C GLU A 19 -1.072 -5.620 11.057 1.00 0.00 C ATOM 259 O GLU A 19 -1.879 -6.525 10.846 1.00 0.00 O ATOM 260 CB GLU A 19 -0.210 -4.742 13.234 1.00 0.00 C ATOM 261 CG GLU A 19 -1.350 -5.093 14.176 1.00 0.00 C ATOM 262 CD GLU A 19 -1.131 -4.561 15.578 1.00 0.00 C ATOM 263 OE1 GLU A 19 -0.274 -5.118 16.297 1.00 0.00 O ATOM 264 OE2 GLU A 19 -1.816 -3.588 15.958 1.00 0.00 O ATOM 0 H GLU A 19 1.817 -4.757 11.800 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.071 -6.780 12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.709 -4.641 13.811 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.410 -3.771 12.780 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.282 -4.689 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.463 -6.176 14.216 1.00 0.00 H new ATOM 271 N ILE A 20 -1.093 -4.467 10.399 1.00 0.00 N ATOM 272 CA ILE A 20 -2.091 -4.192 9.366 1.00 0.00 C ATOM 273 C ILE A 20 -2.081 -5.256 8.267 1.00 0.00 C ATOM 274 O ILE A 20 -3.126 -5.794 7.901 1.00 0.00 O ATOM 275 CB ILE A 20 -1.879 -2.799 8.737 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.444 -2.650 8.218 1.00 0.00 C ATOM 277 CG2 ILE A 20 -2.199 -1.712 9.753 1.00 0.00 C ATOM 278 CD1 ILE A 20 -0.111 -1.251 7.746 1.00 0.00 C ATOM 0 H ILE A 20 -0.432 -3.707 10.560 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.063 -4.215 9.860 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.556 -2.694 7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.250 -2.932 9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.290 -3.348 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.046 -0.733 9.299 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.237 -1.806 10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.543 -1.817 10.617 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.920 -1.222 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.781 -0.972 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.232 -0.550 8.572 1.00 0.00 H new ATOM 290 N VAL A 21 -0.896 -5.554 7.751 1.00 0.00 N ATOM 291 CA VAL A 21 -0.733 -6.550 6.698 1.00 0.00 C ATOM 292 C VAL A 21 -1.299 -7.901 7.122 1.00 0.00 C ATOM 293 O VAL A 21 -1.969 -8.576 6.341 1.00 0.00 O ATOM 294 CB VAL A 21 0.753 -6.718 6.326 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.329 -5.400 5.830 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.551 -7.241 7.512 1.00 0.00 C ATOM 0 H VAL A 21 -0.024 -5.115 8.048 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.285 -6.192 5.829 1.00 0.00 H new ATOM 0 HB VAL A 21 0.824 -7.450 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.379 -5.536 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.778 -5.071 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.243 -4.647 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.597 -7.352 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.474 -6.538 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.154 -8.209 7.819 1.00 0.00 H new ATOM 306 N LEU A 22 -1.023 -8.291 8.363 1.00 0.00 N ATOM 307 CA LEU A 22 -1.505 -9.563 8.887 1.00 0.00 C ATOM 308 C LEU A 22 -3.006 -9.516 9.173 1.00 0.00 C ATOM 309 O LEU A 22 -3.634 -10.551 9.396 1.00 0.00 O ATOM 310 CB LEU A 22 -0.739 -9.935 10.158 1.00 0.00 C ATOM 311 CG LEU A 22 0.719 -10.344 9.936 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.438 -10.497 11.268 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.795 -11.636 9.134 1.00 0.00 C ATOM 0 H LEU A 22 -0.469 -7.745 9.023 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.331 -10.325 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.763 -9.086 10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.260 -10.755 10.652 1.00 0.00 H new ATOM 0 HG LEU A 22 1.215 -9.558 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.473 -10.788 11.091 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.414 -9.549 11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.942 -11.264 11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.839 -11.911 8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.283 -12.431 9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.317 -11.491 8.165 1.00 0.00 H new ATOM 325 N ASP A 23 -3.579 -8.313 9.164 1.00 0.00 N ATOM 326 CA ASP A 23 -5.006 -8.144 9.421 1.00 0.00 C ATOM 327 C ASP A 23 -5.835 -8.930 8.411 1.00 0.00 C ATOM 328 O ASP A 23 -6.094 -8.459 7.304 1.00 0.00 O ATOM 329 CB ASP A 23 -5.384 -6.662 9.366 1.00 0.00 C ATOM 330 CG ASP A 23 -6.546 -6.328 10.281 1.00 0.00 C ATOM 331 OD1 ASP A 23 -6.796 -7.101 11.229 1.00 0.00 O ATOM 332 OD2 ASP A 23 -7.205 -5.293 10.050 1.00 0.00 O ATOM 0 H ASP A 23 -3.077 -7.444 8.982 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.219 -8.529 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.520 -6.059 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.643 -6.393 8.342 1.00 0.00 H new ATOM 337 N ASP A 24 -6.244 -10.133 8.800 1.00 0.00 N ATOM 338 CA ASP A 24 -7.040 -10.992 7.928 1.00 0.00 C ATOM 339 C ASP A 24 -8.436 -10.415 7.702 1.00 0.00 C ATOM 340 O ASP A 24 -9.121 -10.787 6.749 1.00 0.00 O ATOM 341 CB ASP A 24 -7.151 -12.397 8.526 1.00 0.00 C ATOM 342 CG ASP A 24 -5.821 -12.918 9.034 1.00 0.00 C ATOM 343 OD1 ASP A 24 -5.276 -12.324 9.988 1.00 0.00 O ATOM 344 OD2 ASP A 24 -5.324 -13.920 8.478 1.00 0.00 O ATOM 0 H ASP A 24 -6.038 -10.536 9.714 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.534 -11.048 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.869 -12.384 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.541 -13.080 7.771 1.00 0.00 H new ATOM 349 N THR A 25 -8.857 -9.511 8.581 1.00 0.00 N ATOM 350 CA THR A 25 -10.176 -8.896 8.468 1.00 0.00 C ATOM 351 C THR A 25 -10.098 -7.543 7.766 1.00 0.00 C ATOM 352 O THR A 25 -10.935 -6.669 7.993 1.00 0.00 O ATOM 353 CB THR A 25 -10.802 -8.728 9.853 1.00 0.00 C ATOM 354 OG1 THR A 25 -10.381 -9.763 10.723 1.00 0.00 O ATOM 355 CG2 THR A 25 -12.316 -8.734 9.830 1.00 0.00 C ATOM 0 H THR A 25 -8.307 -9.189 9.377 1.00 0.00 H new ATOM 0 HA THR A 25 -10.802 -9.556 7.867 1.00 0.00 H new ATOM 0 HB THR A 25 -10.464 -7.754 10.207 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.791 -9.637 11.604 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.696 -8.611 10.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.674 -7.915 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 25 -12.670 -9.681 9.423 1.00 0.00 H new ATOM 363 N LYS A 26 -9.092 -7.374 6.912 1.00 0.00 N ATOM 364 CA LYS A 26 -8.918 -6.124 6.180 1.00 0.00 C ATOM 365 C LYS A 26 -7.740 -6.211 5.214 1.00 0.00 C ATOM 366 O LYS A 26 -6.732 -6.857 5.503 1.00 0.00 O ATOM 367 CB LYS A 26 -8.707 -4.963 7.156 1.00 0.00 C ATOM 368 CG LYS A 26 -9.970 -4.162 7.430 1.00 0.00 C ATOM 369 CD LYS A 26 -9.670 -2.678 7.569 1.00 0.00 C ATOM 370 CE LYS A 26 -10.861 -1.921 8.133 1.00 0.00 C ATOM 371 NZ LYS A 26 -11.066 -2.206 9.581 1.00 0.00 N ATOM 0 H LYS A 26 -8.388 -8.084 6.711 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.824 -5.946 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.324 -5.356 8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.944 -4.296 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.683 -4.316 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.442 -4.526 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.807 -2.539 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.404 -2.267 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.711 -0.851 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.759 -2.193 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.077 -2.127 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.737 -3.169 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.527 -1.521 10.149 1.00 0.00 H new ATOM 385 N ASP A 27 -7.873 -5.552 4.067 1.00 0.00 N ATOM 386 CA ASP A 27 -6.820 -5.548 3.059 1.00 0.00 C ATOM 387 C ASP A 27 -5.848 -4.397 3.303 1.00 0.00 C ATOM 388 O ASP A 27 -6.249 -3.316 3.733 1.00 0.00 O ATOM 389 CB ASP A 27 -7.426 -5.437 1.657 1.00 0.00 C ATOM 390 CG ASP A 27 -7.156 -6.666 0.811 1.00 0.00 C ATOM 391 OD1 ASP A 27 -6.116 -6.693 0.120 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.983 -7.601 0.841 1.00 0.00 O ATOM 0 H ASP A 27 -8.701 -5.013 3.813 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.272 -6.487 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.502 -5.286 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.019 -4.558 1.157 1.00 0.00 H new ATOM 397 N VAL A 28 -4.569 -4.637 3.035 1.00 0.00 N ATOM 398 CA VAL A 28 -3.546 -3.618 3.237 1.00 0.00 C ATOM 399 C VAL A 28 -2.606 -3.526 2.040 1.00 0.00 C ATOM 400 O VAL A 28 -2.315 -4.528 1.387 1.00 0.00 O ATOM 401 CB VAL A 28 -2.717 -3.899 4.504 1.00 0.00 C ATOM 402 CG1 VAL A 28 -1.904 -2.674 4.893 1.00 0.00 C ATOM 403 CG2 VAL A 28 -3.622 -4.333 5.648 1.00 0.00 C ATOM 0 H VAL A 28 -4.217 -5.525 2.678 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.070 -2.669 3.354 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.024 -4.713 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.325 -2.892 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.228 -2.413 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.576 -1.838 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.019 -4.527 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.341 -3.542 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.155 -5.241 5.366 1.00 0.00 H new ATOM 413 N LEU A 29 -2.132 -2.316 1.761 1.00 0.00 N ATOM 414 CA LEU A 29 -1.221 -2.086 0.645 1.00 0.00 C ATOM 415 C LEU A 29 -0.086 -1.154 1.058 1.00 0.00 C ATOM 416 O LEU A 29 -0.263 0.062 1.124 1.00 0.00 O ATOM 417 CB LEU A 29 -1.975 -1.490 -0.547 1.00 0.00 C ATOM 418 CG LEU A 29 -3.416 -1.977 -0.718 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.219 -0.987 -1.547 1.00 0.00 C ATOM 420 CD2 LEU A 29 -3.439 -3.356 -1.361 1.00 0.00 C ATOM 0 H LEU A 29 -2.364 -1.478 2.294 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.796 -3.046 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.985 -0.405 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.421 -1.718 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.875 -2.050 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.241 -1.350 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.230 -0.019 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.762 -0.882 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.471 -3.687 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.963 -3.309 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.900 -4.061 -0.729 1.00 0.00 H new ATOM 432 N ILE A 30 1.080 -1.729 1.335 1.00 0.00 N ATOM 433 CA ILE A 30 2.240 -0.943 1.742 1.00 0.00 C ATOM 434 C ILE A 30 3.223 -0.772 0.588 1.00 0.00 C ATOM 435 O ILE A 30 3.754 -1.750 0.063 1.00 0.00 O ATOM 436 CB ILE A 30 2.969 -1.590 2.939 1.00 0.00 C ATOM 437 CG1 ILE A 30 4.137 -0.708 3.392 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.458 -2.985 2.576 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.954 -1.309 4.516 1.00 0.00 C ATOM 0 H ILE A 30 1.247 -2.734 1.285 1.00 0.00 H new ATOM 0 HA ILE A 30 1.868 0.036 2.043 1.00 0.00 H new ATOM 0 HB ILE A 30 2.265 -1.680 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.790 -0.520 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.748 0.258 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.969 -3.425 3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.607 -3.609 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.148 -2.921 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.762 -0.628 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.315 -1.471 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.374 -2.261 4.192 1.00 0.00 H new ATOM 451 N GLU A 31 3.461 0.477 0.199 1.00 0.00 N ATOM 452 CA GLU A 31 4.382 0.774 -0.894 1.00 0.00 C ATOM 453 C GLU A 31 5.670 1.400 -0.368 1.00 0.00 C ATOM 454 O GLU A 31 5.637 2.340 0.425 1.00 0.00 O ATOM 455 CB GLU A 31 3.722 1.714 -1.905 1.00 0.00 C ATOM 456 CG GLU A 31 4.447 1.776 -3.240 1.00 0.00 C ATOM 457 CD GLU A 31 3.542 1.452 -4.413 1.00 0.00 C ATOM 458 OE1 GLU A 31 2.550 0.720 -4.213 1.00 0.00 O ATOM 459 OE2 GLU A 31 3.827 1.929 -5.532 1.00 0.00 O ATOM 0 H GLU A 31 3.030 1.298 0.623 1.00 0.00 H new ATOM 0 HA GLU A 31 4.631 -0.165 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.695 1.390 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.675 2.716 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.867 2.773 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.283 1.077 -3.228 1.00 0.00 H new ATOM 466 N PHE A 32 6.805 0.872 -0.819 1.00 0.00 N ATOM 467 CA PHE A 32 8.106 1.379 -0.399 1.00 0.00 C ATOM 468 C PHE A 32 8.707 2.283 -1.471 1.00 0.00 C ATOM 469 O PHE A 32 8.869 1.873 -2.621 1.00 0.00 O ATOM 470 CB PHE A 32 9.058 0.218 -0.101 1.00 0.00 C ATOM 471 CG PHE A 32 8.900 -0.348 1.282 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.260 0.396 2.394 1.00 0.00 C ATOM 473 CD2 PHE A 32 8.392 -1.623 1.469 1.00 0.00 C ATOM 474 CE1 PHE A 32 9.115 -0.121 3.667 1.00 0.00 C ATOM 475 CE2 PHE A 32 8.245 -2.146 2.740 1.00 0.00 C ATOM 476 CZ PHE A 32 8.607 -1.394 3.841 1.00 0.00 C ATOM 0 H PHE A 32 6.849 0.093 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 32 7.965 1.965 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.891 -0.575 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.085 0.559 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.658 1.391 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.108 -2.215 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.399 0.470 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.848 -3.141 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.493 -1.800 4.835 1.00 0.00 H new ATOM 486 N TYR A 33 9.033 3.514 -1.090 1.00 0.00 N ATOM 487 CA TYR A 33 9.613 4.473 -2.023 1.00 0.00 C ATOM 488 C TYR A 33 10.599 5.399 -1.318 1.00 0.00 C ATOM 489 O TYR A 33 10.745 5.355 -0.096 1.00 0.00 O ATOM 490 CB TYR A 33 8.509 5.298 -2.687 1.00 0.00 C ATOM 491 CG TYR A 33 7.753 6.188 -1.725 1.00 0.00 C ATOM 492 CD1 TYR A 33 6.754 5.672 -0.909 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.040 7.544 -1.633 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.063 6.482 -0.029 1.00 0.00 C ATOM 495 CE2 TYR A 33 7.353 8.361 -0.755 1.00 0.00 C ATOM 496 CZ TYR A 33 6.366 7.825 0.044 1.00 0.00 C ATOM 497 OH TYR A 33 5.679 8.635 0.919 1.00 0.00 O ATOM 0 H TYR A 33 8.906 3.870 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 33 10.154 3.914 -2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.950 5.916 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.805 4.622 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.514 4.620 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.813 7.967 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.289 6.065 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.588 9.413 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 33 6.015 9.553 0.847 1.00 0.00 H new ATOM 507 N ALA A 34 11.273 6.240 -2.097 1.00 0.00 N ATOM 508 CA ALA A 34 12.244 7.180 -1.549 1.00 0.00 C ATOM 509 C ALA A 34 12.211 8.504 -2.308 1.00 0.00 C ATOM 510 O ALA A 34 11.942 8.533 -3.509 1.00 0.00 O ATOM 511 CB ALA A 34 13.641 6.579 -1.588 1.00 0.00 C ATOM 0 H ALA A 34 11.164 6.289 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 34 11.977 7.379 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.355 7.292 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.660 5.663 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.910 6.351 -2.619 1.00 0.00 H new ATOM 517 N PRO A 35 12.483 9.624 -1.616 1.00 0.00 N ATOM 518 CA PRO A 35 12.481 10.955 -2.233 1.00 0.00 C ATOM 519 C PRO A 35 13.641 11.145 -3.205 1.00 0.00 C ATOM 520 O PRO A 35 13.472 11.708 -4.287 1.00 0.00 O ATOM 521 CB PRO A 35 12.622 11.903 -1.041 1.00 0.00 C ATOM 522 CG PRO A 35 13.297 11.093 0.011 1.00 0.00 C ATOM 523 CD PRO A 35 12.813 9.682 -0.179 1.00 0.00 C ATOM 0 HA PRO A 35 11.582 11.126 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.211 12.782 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.649 12.260 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.381 11.150 -0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.048 11.460 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.580 8.955 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.943 9.469 0.442 1.00 0.00 H new ATOM 531 N TRP A 36 14.820 10.673 -2.812 1.00 0.00 N ATOM 532 CA TRP A 36 16.009 10.790 -3.649 1.00 0.00 C ATOM 533 C TRP A 36 16.012 9.742 -4.764 1.00 0.00 C ATOM 534 O TRP A 36 16.909 9.727 -5.607 1.00 0.00 O ATOM 535 CB TRP A 36 17.271 10.644 -2.797 1.00 0.00 C ATOM 536 CG TRP A 36 17.303 9.379 -1.994 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.502 8.114 -2.466 1.00 0.00 C ATOM 538 CD2 TRP A 36 17.130 9.258 -0.578 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.462 7.213 -1.430 1.00 0.00 N ATOM 540 CE2 TRP A 36 17.236 7.891 -0.261 1.00 0.00 C ATOM 541 CE3 TRP A 36 16.896 10.173 0.453 1.00 0.00 C ATOM 542 CZ2 TRP A 36 17.116 7.417 1.044 1.00 0.00 C ATOM 543 CZ3 TRP A 36 16.778 9.702 1.747 1.00 0.00 C ATOM 544 CH2 TRP A 36 16.888 8.335 2.033 1.00 0.00 C ATOM 0 H TRP A 36 14.978 10.206 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 36 15.995 11.777 -4.110 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.145 10.675 -3.447 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.345 11.496 -2.122 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.667 7.859 -3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.581 6.204 -1.517 1.00 0.00 H new ATOM 0 HE3 TRP A 36 16.809 11.229 0.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 17.200 6.364 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.598 10.400 2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 36 16.791 7.999 3.055 1.00 0.00 H new ATOM 555 N CYS A 37 15.008 8.867 -4.762 1.00 0.00 N ATOM 556 CA CYS A 37 14.902 7.818 -5.772 1.00 0.00 C ATOM 557 C CYS A 37 15.012 8.391 -7.183 1.00 0.00 C ATOM 558 O CYS A 37 15.771 7.886 -8.011 1.00 0.00 O ATOM 559 CB CYS A 37 13.570 7.073 -5.621 1.00 0.00 C ATOM 560 SG CYS A 37 13.232 5.868 -6.950 1.00 0.00 S ATOM 0 H CYS A 37 14.257 8.864 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 37 15.728 7.124 -5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.564 6.552 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.760 7.802 -5.592 1.00 0.00 H new ATOM 565 N GLY A 38 14.237 9.434 -7.454 1.00 0.00 N ATOM 566 CA GLY A 38 14.246 10.042 -8.771 1.00 0.00 C ATOM 567 C GLY A 38 13.111 9.523 -9.629 1.00 0.00 C ATOM 568 O GLY A 38 12.474 10.279 -10.361 1.00 0.00 O ATOM 0 H GLY A 38 13.602 9.870 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.165 11.125 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.198 9.837 -9.261 1.00 0.00 H new ATOM 572 N HIS A 39 12.852 8.223 -9.519 1.00 0.00 N ATOM 573 CA HIS A 39 11.779 7.582 -10.268 1.00 0.00 C ATOM 574 C HIS A 39 10.628 7.198 -9.338 1.00 0.00 C ATOM 575 O HIS A 39 9.598 6.695 -9.786 1.00 0.00 O ATOM 576 CB HIS A 39 12.302 6.336 -10.986 1.00 0.00 C ATOM 577 CG HIS A 39 13.304 6.637 -12.057 1.00 0.00 C ATOM 578 ND1 HIS A 39 14.238 7.614 -12.148 1.00 0.00 N flip ATOM 579 CD2 HIS A 39 13.422 5.889 -13.209 1.00 0.00 C flip ATOM 580 CE1 HIS A 39 14.895 7.438 -13.341 1.00 0.00 C flip ATOM 581 NE2 HIS A 39 14.385 6.391 -13.962 1.00 0.00 N flip ATOM 0 H HIS A 39 13.375 7.590 -8.914 1.00 0.00 H new ATOM 0 HA HIS A 39 11.410 8.291 -11.009 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.755 5.668 -10.253 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.461 5.801 -11.427 1.00 0.00 H new ATOM 0 HD2 HIS A 39 12.821 5.027 -13.457 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.699 8.056 -13.711 1.00 0.00 H new ATOM 0 HE2 HIS A 39 14.683 6.031 -14.868 1.00 0.00 H new ATOM 590 N CYS A 40 10.812 7.438 -8.040 1.00 0.00 N ATOM 591 CA CYS A 40 9.795 7.118 -7.048 1.00 0.00 C ATOM 592 C CYS A 40 9.124 8.383 -6.522 1.00 0.00 C ATOM 593 O CYS A 40 8.017 8.331 -5.986 1.00 0.00 O ATOM 594 CB CYS A 40 10.413 6.342 -5.884 1.00 0.00 C ATOM 595 SG CYS A 40 11.498 4.970 -6.390 1.00 0.00 S ATOM 0 H CYS A 40 11.659 7.854 -7.654 1.00 0.00 H new ATOM 0 HA CYS A 40 9.039 6.500 -7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.985 7.033 -5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.611 5.945 -5.261 1.00 0.00 H new ATOM 600 N LYS A 41 9.799 9.520 -6.677 1.00 0.00 N ATOM 601 CA LYS A 41 9.264 10.797 -6.216 1.00 0.00 C ATOM 602 C LYS A 41 7.830 10.998 -6.700 1.00 0.00 C ATOM 603 O LYS A 41 7.038 11.686 -6.057 1.00 0.00 O ATOM 604 CB LYS A 41 10.149 11.947 -6.701 1.00 0.00 C ATOM 605 CG LYS A 41 10.340 13.046 -5.668 1.00 0.00 C ATOM 606 CD LYS A 41 9.184 14.033 -5.685 1.00 0.00 C ATOM 607 CE LYS A 41 9.381 15.140 -4.662 1.00 0.00 C ATOM 608 NZ LYS A 41 8.322 16.181 -4.758 1.00 0.00 N ATOM 0 H LYS A 41 10.717 9.582 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 41 9.257 10.788 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.125 11.550 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.710 12.378 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.427 12.603 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.273 13.574 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.090 14.468 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.252 13.507 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.379 14.712 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.357 15.601 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.493 16.917 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.340 16.608 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.392 15.746 -4.591 1.00 0.00 H new ATOM 622 N ALA A 42 7.503 10.386 -7.835 1.00 0.00 N ATOM 623 CA ALA A 42 6.165 10.489 -8.401 1.00 0.00 C ATOM 624 C ALA A 42 5.200 9.547 -7.687 1.00 0.00 C ATOM 625 O ALA A 42 4.001 9.812 -7.606 1.00 0.00 O ATOM 626 CB ALA A 42 6.198 10.187 -9.892 1.00 0.00 C ATOM 0 H ALA A 42 8.148 9.814 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 42 5.810 11.510 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.191 10.268 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.852 10.900 -10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.574 9.176 -10.050 1.00 0.00 H new ATOM 632 N LEU A 43 5.736 8.446 -7.169 1.00 0.00 N ATOM 633 CA LEU A 43 4.930 7.461 -6.457 1.00 0.00 C ATOM 634 C LEU A 43 4.312 8.072 -5.202 1.00 0.00 C ATOM 635 O LEU A 43 3.219 7.689 -4.786 1.00 0.00 O ATOM 636 CB LEU A 43 5.789 6.249 -6.081 1.00 0.00 C ATOM 637 CG LEU A 43 5.203 4.890 -6.467 1.00 0.00 C ATOM 638 CD1 LEU A 43 3.876 4.660 -5.762 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.032 4.793 -7.976 1.00 0.00 C ATOM 0 H LEU A 43 6.727 8.214 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 43 4.124 7.137 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.765 6.354 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.956 6.262 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 43 5.898 4.113 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.475 3.688 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.028 4.685 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.172 5.442 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.614 3.820 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.358 5.579 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.001 4.911 -8.460 1.00 0.00 H new ATOM 651 N ALA A 44 5.023 9.022 -4.602 1.00 0.00 N ATOM 652 CA ALA A 44 4.552 9.686 -3.393 1.00 0.00 C ATOM 653 C ALA A 44 3.224 10.404 -3.631 1.00 0.00 C ATOM 654 O ALA A 44 2.213 10.073 -3.011 1.00 0.00 O ATOM 655 CB ALA A 44 5.600 10.666 -2.887 1.00 0.00 C ATOM 0 H ALA A 44 5.930 9.349 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 44 4.386 8.921 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.235 11.155 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.522 10.129 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.795 11.417 -3.652 1.00 0.00 H new ATOM 661 N PRO A 45 3.206 11.403 -4.532 1.00 0.00 N ATOM 662 CA PRO A 45 1.990 12.164 -4.840 1.00 0.00 C ATOM 663 C PRO A 45 0.879 11.280 -5.395 1.00 0.00 C ATOM 664 O PRO A 45 -0.297 11.482 -5.091 1.00 0.00 O ATOM 665 CB PRO A 45 2.447 13.179 -5.896 1.00 0.00 C ATOM 666 CG PRO A 45 3.719 12.628 -6.444 1.00 0.00 C ATOM 667 CD PRO A 45 4.361 11.869 -5.318 1.00 0.00 C ATOM 0 HA PRO A 45 1.569 12.627 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.699 13.296 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.602 14.163 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.526 11.975 -7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.370 13.427 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.963 11.037 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.021 12.504 -4.728 1.00 0.00 H new ATOM 675 N LYS A 46 1.256 10.298 -6.206 1.00 0.00 N ATOM 676 CA LYS A 46 0.287 9.384 -6.798 1.00 0.00 C ATOM 677 C LYS A 46 -0.411 8.562 -5.719 1.00 0.00 C ATOM 678 O LYS A 46 -1.562 8.156 -5.880 1.00 0.00 O ATOM 679 CB LYS A 46 0.975 8.455 -7.799 1.00 0.00 C ATOM 680 CG LYS A 46 1.294 9.121 -9.128 1.00 0.00 C ATOM 681 CD LYS A 46 0.228 8.824 -10.170 1.00 0.00 C ATOM 682 CE LYS A 46 0.322 9.777 -11.350 1.00 0.00 C ATOM 683 NZ LYS A 46 1.663 9.732 -11.995 1.00 0.00 N ATOM 0 H LYS A 46 2.225 10.115 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.463 9.977 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.899 8.081 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.335 7.591 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.375 10.199 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.262 8.773 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.336 7.798 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.759 8.903 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.443 9.522 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.115 10.793 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.641 10.277 -12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.371 10.143 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.916 8.745 -12.202 1.00 0.00 H new ATOM 697 N TYR A 47 0.293 8.323 -4.616 1.00 0.00 N ATOM 698 CA TYR A 47 -0.261 7.553 -3.509 1.00 0.00 C ATOM 699 C TYR A 47 -1.147 8.427 -2.626 1.00 0.00 C ATOM 700 O TYR A 47 -2.036 7.928 -1.938 1.00 0.00 O ATOM 701 CB TYR A 47 0.864 6.931 -2.677 1.00 0.00 C ATOM 702 CG TYR A 47 0.764 5.427 -2.558 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.137 4.602 -3.611 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.294 4.834 -1.393 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.044 3.227 -3.507 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.199 3.460 -1.281 1.00 0.00 C ATOM 707 CZ TYR A 47 0.575 2.661 -2.340 1.00 0.00 C ATOM 708 OH TYR A 47 0.481 1.292 -2.233 1.00 0.00 O ATOM 0 H TYR A 47 1.247 8.651 -4.466 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.875 6.755 -3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.823 7.189 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.852 7.368 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.506 5.042 -4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.002 5.457 -0.562 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.337 2.599 -4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.168 3.014 -0.368 1.00 0.00 H new ATOM 0 HH TYR A 47 0.915 0.873 -3.006 1.00 0.00 H new ATOM 718 N GLU A 48 -0.900 9.733 -2.651 1.00 0.00 N ATOM 719 CA GLU A 48 -1.681 10.672 -1.854 1.00 0.00 C ATOM 720 C GLU A 48 -3.091 10.812 -2.417 1.00 0.00 C ATOM 721 O GLU A 48 -4.057 10.967 -1.670 1.00 0.00 O ATOM 722 CB GLU A 48 -0.994 12.038 -1.817 1.00 0.00 C ATOM 723 CG GLU A 48 -1.276 12.828 -0.549 1.00 0.00 C ATOM 724 CD GLU A 48 -1.461 14.309 -0.814 1.00 0.00 C ATOM 725 OE1 GLU A 48 -0.597 14.903 -1.492 1.00 0.00 O ATOM 726 OE2 GLU A 48 -2.470 14.874 -0.343 1.00 0.00 O ATOM 0 H GLU A 48 -0.167 10.164 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.749 10.283 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.082 11.897 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.318 12.622 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.173 12.433 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.453 12.688 0.152 1.00 0.00 H new ATOM 733 N GLU A 49 -3.200 10.754 -3.741 1.00 0.00 N ATOM 734 CA GLU A 49 -4.491 10.873 -4.408 1.00 0.00 C ATOM 735 C GLU A 49 -5.299 9.588 -4.255 1.00 0.00 C ATOM 736 O GLU A 49 -6.448 9.615 -3.814 1.00 0.00 O ATOM 737 CB GLU A 49 -4.296 11.194 -5.891 1.00 0.00 C ATOM 738 CG GLU A 49 -5.342 12.143 -6.451 1.00 0.00 C ATOM 739 CD GLU A 49 -4.808 13.547 -6.653 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.579 14.246 -5.644 1.00 0.00 O ATOM 741 OE2 GLU A 49 -4.618 13.948 -7.821 1.00 0.00 O ATOM 0 H GLU A 49 -2.409 10.625 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.042 11.688 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.308 11.632 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.318 10.265 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.705 11.756 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.196 12.177 -5.774 1.00 0.00 H new ATOM 748 N LEU A 50 -4.691 8.464 -4.621 1.00 0.00 N ATOM 749 CA LEU A 50 -5.355 7.170 -4.523 1.00 0.00 C ATOM 750 C LEU A 50 -5.740 6.866 -3.077 1.00 0.00 C ATOM 751 O LEU A 50 -6.714 6.159 -2.819 1.00 0.00 O ATOM 752 CB LEU A 50 -4.447 6.064 -5.071 1.00 0.00 C ATOM 753 CG LEU A 50 -4.912 4.634 -4.785 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.255 4.368 -5.448 1.00 0.00 C ATOM 755 CD2 LEU A 50 -3.871 3.629 -5.258 1.00 0.00 C ATOM 0 H LEU A 50 -3.740 8.424 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.266 7.208 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.359 6.191 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.449 6.195 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.033 4.520 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.570 3.347 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.997 5.066 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.161 4.501 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.219 2.618 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.717 3.743 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.931 3.806 -4.736 1.00 0.00 H new ATOM 767 N GLY A 51 -4.967 7.402 -2.138 1.00 0.00 N ATOM 768 CA GLY A 51 -5.242 7.175 -0.731 1.00 0.00 C ATOM 769 C GLY A 51 -6.495 7.887 -0.262 1.00 0.00 C ATOM 770 O GLY A 51 -7.318 7.307 0.446 1.00 0.00 O ATOM 0 H GLY A 51 -4.155 7.990 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.348 6.105 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.392 7.514 -0.139 1.00 0.00 H new ATOM 774 N ALA A 52 -6.641 9.147 -0.657 1.00 0.00 N ATOM 775 CA ALA A 52 -7.804 9.938 -0.272 1.00 0.00 C ATOM 776 C ALA A 52 -9.063 9.445 -0.977 1.00 0.00 C ATOM 777 O ALA A 52 -10.169 9.573 -0.454 1.00 0.00 O ATOM 778 CB ALA A 52 -7.566 11.409 -0.579 1.00 0.00 C ATOM 0 H ALA A 52 -5.969 9.642 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.952 9.821 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.442 11.988 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.697 11.761 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.389 11.534 -1.647 1.00 0.00 H new ATOM 784 N LEU A 53 -8.886 8.882 -2.169 1.00 0.00 N ATOM 785 CA LEU A 53 -10.009 8.370 -2.946 1.00 0.00 C ATOM 786 C LEU A 53 -10.461 7.010 -2.422 1.00 0.00 C ATOM 787 O LEU A 53 -11.620 6.831 -2.048 1.00 0.00 O ATOM 788 CB LEU A 53 -9.623 8.258 -4.424 1.00 0.00 C ATOM 789 CG LEU A 53 -10.086 9.422 -5.302 1.00 0.00 C ATOM 790 CD1 LEU A 53 -9.446 10.723 -4.845 1.00 0.00 C ATOM 791 CD2 LEU A 53 -9.757 9.148 -6.762 1.00 0.00 C ATOM 0 H LEU A 53 -7.977 8.769 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.838 9.070 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.538 8.177 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.039 7.333 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.167 9.520 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.787 11.540 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.730 10.925 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.361 10.639 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.093 9.985 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.680 9.025 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.262 8.238 -7.084 1.00 0.00 H new ATOM 803 N TYR A 54 -9.538 6.054 -2.399 1.00 0.00 N ATOM 804 CA TYR A 54 -9.840 4.708 -1.922 1.00 0.00 C ATOM 805 C TYR A 54 -10.375 4.741 -0.493 1.00 0.00 C ATOM 806 O TYR A 54 -11.368 4.086 -0.176 1.00 0.00 O ATOM 807 CB TYR A 54 -8.590 3.830 -1.991 1.00 0.00 C ATOM 808 CG TYR A 54 -8.873 2.401 -2.396 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.891 1.676 -1.791 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.122 1.778 -3.385 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.153 0.370 -2.159 1.00 0.00 C ATOM 812 CE2 TYR A 54 -8.378 0.473 -3.759 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.394 -0.227 -3.143 1.00 0.00 C ATOM 814 OH TYR A 54 -9.653 -1.527 -3.513 1.00 0.00 O ATOM 0 H TYR A 54 -8.574 6.186 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.610 4.285 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.888 4.267 -2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.101 3.832 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.488 2.140 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.325 2.323 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.948 -0.180 -1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.785 0.003 -4.530 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.029 -1.796 -4.219 1.00 0.00 H new ATOM 824 N ALA A 55 -9.711 5.507 0.365 1.00 0.00 N ATOM 825 CA ALA A 55 -10.120 5.625 1.760 1.00 0.00 C ATOM 826 C ALA A 55 -11.483 6.299 1.879 1.00 0.00 C ATOM 827 O ALA A 55 -12.243 6.023 2.807 1.00 0.00 O ATOM 828 CB ALA A 55 -9.076 6.398 2.552 1.00 0.00 C ATOM 0 H ALA A 55 -8.887 6.056 0.119 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.204 4.620 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.394 6.479 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.121 5.874 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.964 7.396 2.129 1.00 0.00 H new ATOM 834 N LYS A 56 -11.785 7.183 0.934 1.00 0.00 N ATOM 835 CA LYS A 56 -13.057 7.896 0.933 1.00 0.00 C ATOM 836 C LYS A 56 -14.059 7.222 0.002 1.00 0.00 C ATOM 837 O LYS A 56 -14.831 7.891 -0.685 1.00 0.00 O ATOM 838 CB LYS A 56 -12.848 9.351 0.510 1.00 0.00 C ATOM 839 CG LYS A 56 -14.026 10.255 0.834 1.00 0.00 C ATOM 840 CD LYS A 56 -14.059 10.621 2.309 1.00 0.00 C ATOM 841 CE LYS A 56 -15.482 10.660 2.842 1.00 0.00 C ATOM 842 NZ LYS A 56 -15.569 10.128 4.229 1.00 0.00 N ATOM 0 H LYS A 56 -11.166 7.423 0.159 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.459 7.873 1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.957 9.739 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.659 9.385 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.965 11.163 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.955 9.755 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.476 9.897 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.588 11.593 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.849 11.686 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.131 10.077 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.555 10.172 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.243 9.141 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.970 10.700 4.858 1.00 0.00 H new ATOM 856 N SER A 57 -14.041 5.893 -0.017 1.00 0.00 N ATOM 857 CA SER A 57 -14.949 5.128 -0.865 1.00 0.00 C ATOM 858 C SER A 57 -15.672 4.054 -0.059 1.00 0.00 C ATOM 859 O SER A 57 -15.429 3.892 1.137 1.00 0.00 O ATOM 860 CB SER A 57 -14.180 4.485 -2.020 1.00 0.00 C ATOM 861 OG SER A 57 -13.552 5.467 -2.825 1.00 0.00 O ATOM 0 H SER A 57 -13.408 5.324 0.545 1.00 0.00 H new ATOM 0 HA SER A 57 -15.693 5.814 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.430 3.800 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.862 3.893 -2.630 1.00 0.00 H new ATOM 0 HG SER A 57 -12.628 5.594 -2.525 1.00 0.00 H new ATOM 867 N GLU A 58 -16.562 3.323 -0.723 1.00 0.00 N ATOM 868 CA GLU A 58 -17.321 2.263 -0.070 1.00 0.00 C ATOM 869 C GLU A 58 -16.397 1.175 0.470 1.00 0.00 C ATOM 870 O GLU A 58 -16.773 0.417 1.365 1.00 0.00 O ATOM 871 CB GLU A 58 -18.328 1.653 -1.046 1.00 0.00 C ATOM 872 CG GLU A 58 -19.625 1.212 -0.387 1.00 0.00 C ATOM 873 CD GLU A 58 -20.640 0.694 -1.387 1.00 0.00 C ATOM 874 OE1 GLU A 58 -21.122 1.497 -2.213 1.00 0.00 O ATOM 875 OE2 GLU A 58 -20.952 -0.515 -1.343 1.00 0.00 O ATOM 0 H GLU A 58 -16.775 3.446 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.857 2.704 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.555 2.382 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.870 0.795 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.410 0.433 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.055 2.052 0.159 1.00 0.00 H new ATOM 882 N PHE A 59 -15.187 1.100 -0.078 1.00 0.00 N ATOM 883 CA PHE A 59 -14.214 0.102 0.351 1.00 0.00 C ATOM 884 C PHE A 59 -13.265 0.677 1.399 1.00 0.00 C ATOM 885 O PHE A 59 -12.071 0.377 1.400 1.00 0.00 O ATOM 886 CB PHE A 59 -13.416 -0.410 -0.850 1.00 0.00 C ATOM 887 CG PHE A 59 -14.275 -0.979 -1.943 1.00 0.00 C ATOM 888 CD1 PHE A 59 -15.015 -0.146 -2.766 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.342 -2.348 -2.147 1.00 0.00 C ATOM 890 CE1 PHE A 59 -15.805 -0.667 -3.772 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.131 -2.875 -3.151 1.00 0.00 C ATOM 892 CZ PHE A 59 -15.864 -2.033 -3.965 1.00 0.00 C ATOM 0 H PHE A 59 -14.858 1.718 -0.819 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.758 -0.729 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.821 0.408 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.718 -1.176 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.974 0.923 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.771 -3.011 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.376 -0.006 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.175 -3.944 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.482 -2.442 -4.751 1.00 0.00 H new ATOM 902 N LYS A 60 -13.803 1.503 2.290 1.00 0.00 N ATOM 903 CA LYS A 60 -13.003 2.118 3.343 1.00 0.00 C ATOM 904 C LYS A 60 -12.669 1.105 4.434 1.00 0.00 C ATOM 905 O LYS A 60 -11.556 1.088 4.960 1.00 0.00 O ATOM 906 CB LYS A 60 -13.747 3.310 3.948 1.00 0.00 C ATOM 907 CG LYS A 60 -12.976 4.012 5.054 1.00 0.00 C ATOM 908 CD LYS A 60 -13.512 5.412 5.305 1.00 0.00 C ATOM 909 CE LYS A 60 -14.422 5.450 6.522 1.00 0.00 C ATOM 910 NZ LYS A 60 -13.701 5.063 7.766 1.00 0.00 N ATOM 0 H LYS A 60 -14.789 1.762 2.304 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.071 2.468 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.968 4.028 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.703 2.968 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.040 3.427 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.921 4.068 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.680 6.101 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.061 5.755 4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.832 6.453 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.265 4.777 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.125 5.553 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.775 4.035 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.699 5.330 7.684 1.00 0.00 H new ATOM 924 N ASP A 61 -13.640 0.262 4.768 1.00 0.00 N ATOM 925 CA ASP A 61 -13.450 -0.755 5.796 1.00 0.00 C ATOM 926 C ASP A 61 -13.019 -2.087 5.184 1.00 0.00 C ATOM 927 O ASP A 61 -13.093 -3.130 5.834 1.00 0.00 O ATOM 928 CB ASP A 61 -14.738 -0.943 6.600 1.00 0.00 C ATOM 929 CG ASP A 61 -14.516 -1.742 7.869 1.00 0.00 C ATOM 930 OD1 ASP A 61 -13.600 -1.389 8.640 1.00 0.00 O ATOM 931 OD2 ASP A 61 -15.259 -2.721 8.092 1.00 0.00 O ATOM 0 H ASP A 61 -14.567 0.263 4.342 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.658 -0.414 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.149 0.034 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.479 -1.448 5.981 1.00 0.00 H new ATOM 936 N ARG A 62 -12.569 -2.048 3.932 1.00 0.00 N ATOM 937 CA ARG A 62 -12.128 -3.254 3.241 1.00 0.00 C ATOM 938 C ARG A 62 -10.651 -3.156 2.869 1.00 0.00 C ATOM 939 O ARG A 62 -9.864 -4.053 3.171 1.00 0.00 O ATOM 940 CB ARG A 62 -12.971 -3.483 1.984 1.00 0.00 C ATOM 941 CG ARG A 62 -13.456 -4.916 1.830 1.00 0.00 C ATOM 942 CD ARG A 62 -14.902 -5.066 2.276 1.00 0.00 C ATOM 943 NE ARG A 62 -15.050 -4.907 3.720 1.00 0.00 N ATOM 944 CZ ARG A 62 -16.215 -4.981 4.359 1.00 0.00 C ATOM 945 NH1 ARG A 62 -17.336 -5.209 3.685 1.00 0.00 N ATOM 946 NH2 ARG A 62 -16.261 -4.826 5.675 1.00 0.00 N ATOM 0 H ARG A 62 -12.501 -1.195 3.377 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.259 -4.100 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.833 -2.817 2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.383 -3.211 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.362 -5.223 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.822 -5.581 2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.517 -4.325 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.273 -6.047 1.980 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.211 -4.729 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.307 -5.328 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.226 -5.265 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.403 -4.650 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.154 -4.883 6.164 1.00 0.00 H new ATOM 960 N VAL A 63 -10.284 -2.059 2.214 1.00 0.00 N ATOM 961 CA VAL A 63 -8.903 -1.840 1.803 1.00 0.00 C ATOM 962 C VAL A 63 -8.331 -0.585 2.453 1.00 0.00 C ATOM 963 O VAL A 63 -9.060 0.365 2.737 1.00 0.00 O ATOM 964 CB VAL A 63 -8.785 -1.711 0.273 1.00 0.00 C ATOM 965 CG1 VAL A 63 -7.324 -1.680 -0.151 1.00 0.00 C ATOM 966 CG2 VAL A 63 -9.524 -2.848 -0.417 1.00 0.00 C ATOM 0 H VAL A 63 -10.925 -1.308 1.957 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.333 -2.710 2.131 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.246 -0.771 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.262 -1.589 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.828 -0.828 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.834 -2.601 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.430 -2.740 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.095 -3.801 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.578 -2.818 -0.140 1.00 0.00 H new ATOM 976 N VAL A 64 -7.023 -0.589 2.690 1.00 0.00 N ATOM 977 CA VAL A 64 -6.358 0.550 3.310 1.00 0.00 C ATOM 978 C VAL A 64 -5.070 0.905 2.575 1.00 0.00 C ATOM 979 O VAL A 64 -4.160 0.083 2.461 1.00 0.00 O ATOM 980 CB VAL A 64 -6.030 0.272 4.789 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.523 1.534 5.471 1.00 0.00 C ATOM 982 CG2 VAL A 64 -7.250 -0.280 5.511 1.00 0.00 C ATOM 0 H VAL A 64 -6.404 -1.367 2.462 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.050 1.390 3.249 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.240 -0.478 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.297 1.318 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.620 1.882 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.288 2.308 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.000 -0.471 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.062 0.445 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.563 -1.210 5.037 1.00 0.00 H new ATOM 992 N ILE A 65 -4.999 2.137 2.080 1.00 0.00 N ATOM 993 CA ILE A 65 -3.822 2.604 1.359 1.00 0.00 C ATOM 994 C ILE A 65 -2.751 3.096 2.326 1.00 0.00 C ATOM 995 O ILE A 65 -2.880 4.168 2.918 1.00 0.00 O ATOM 996 CB ILE A 65 -4.175 3.741 0.380 1.00 0.00 C ATOM 997 CG1 ILE A 65 -5.407 3.368 -0.447 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.992 4.045 -0.528 1.00 0.00 C ATOM 999 CD1 ILE A 65 -5.185 2.184 -1.362 1.00 0.00 C ATOM 0 H ILE A 65 -5.743 2.829 2.166 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.439 1.755 0.792 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.406 4.637 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.234 3.145 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.707 4.228 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.257 4.850 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.138 4.350 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.733 3.153 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.100 1.977 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.380 2.410 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.915 1.311 -0.768 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.696 2.304 2.485 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.605 2.657 3.384 1.00 0.00 C ATOM 1013 C ALA A 66 0.662 3.002 2.609 1.00 0.00 C ATOM 1014 O ALA A 66 1.115 2.232 1.762 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.337 1.520 4.358 1.00 0.00 C ATOM 0 H ALA A 66 -1.574 1.414 2.003 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.904 3.542 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.480 1.797 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.234 1.325 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.065 0.622 3.803 1.00 0.00 H new ATOM 1021 N LYS A 67 1.233 4.164 2.910 1.00 0.00 N ATOM 1022 CA LYS A 67 2.452 4.613 2.247 1.00 0.00 C ATOM 1023 C LYS A 67 3.621 4.630 3.225 1.00 0.00 C ATOM 1024 O LYS A 67 3.464 5.003 4.388 1.00 0.00 O ATOM 1025 CB LYS A 67 2.250 6.006 1.647 1.00 0.00 C ATOM 1026 CG LYS A 67 1.901 7.068 2.678 1.00 0.00 C ATOM 1027 CD LYS A 67 2.990 8.125 2.784 1.00 0.00 C ATOM 1028 CE LYS A 67 2.634 9.372 1.991 1.00 0.00 C ATOM 1029 NZ LYS A 67 3.199 9.334 0.613 1.00 0.00 N ATOM 0 H LYS A 67 0.871 4.812 3.609 1.00 0.00 H new ATOM 0 HA LYS A 67 2.681 3.913 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.160 6.303 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.456 5.960 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.958 7.542 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.754 6.598 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.142 8.389 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.932 7.716 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.550 9.470 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.008 10.253 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.051 10.254 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.218 9.130 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.723 8.591 0.063 1.00 0.00 H new ATOM 1043 N VAL A 68 4.791 4.219 2.750 1.00 0.00 N ATOM 1044 CA VAL A 68 5.982 4.183 3.588 1.00 0.00 C ATOM 1045 C VAL A 68 7.253 4.232 2.747 1.00 0.00 C ATOM 1046 O VAL A 68 7.260 3.819 1.588 1.00 0.00 O ATOM 1047 CB VAL A 68 6.006 2.915 4.464 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.054 1.666 3.596 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.182 2.946 5.429 1.00 0.00 C ATOM 0 H VAL A 68 4.940 3.907 1.790 1.00 0.00 H new ATOM 0 HA VAL A 68 5.946 5.063 4.230 1.00 0.00 H new ATOM 0 HB VAL A 68 5.088 2.889 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.070 0.781 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.174 1.635 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.952 1.686 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.178 2.041 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.114 3.001 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.098 3.818 6.077 1.00 0.00 H new ATOM 1059 N ASP A 69 8.329 4.733 3.343 1.00 0.00 N ATOM 1060 CA ASP A 69 9.609 4.828 2.653 1.00 0.00 C ATOM 1061 C ASP A 69 10.481 3.620 2.977 1.00 0.00 C ATOM 1062 O ASP A 69 10.428 3.087 4.085 1.00 0.00 O ATOM 1063 CB ASP A 69 10.333 6.117 3.049 1.00 0.00 C ATOM 1064 CG ASP A 69 9.516 7.357 2.742 1.00 0.00 C ATOM 1065 OD1 ASP A 69 9.528 7.801 1.575 1.00 0.00 O ATOM 1066 OD2 ASP A 69 8.866 7.884 3.669 1.00 0.00 O ATOM 0 H ASP A 69 8.340 5.079 4.302 1.00 0.00 H new ATOM 0 HA ASP A 69 9.420 4.845 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.561 6.090 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.285 6.173 2.521 1.00 0.00 H new ATOM 1071 N ALA A 70 11.280 3.189 2.007 1.00 0.00 N ATOM 1072 CA ALA A 70 12.158 2.040 2.197 1.00 0.00 C ATOM 1073 C ALA A 70 13.380 2.407 3.036 1.00 0.00 C ATOM 1074 O ALA A 70 14.520 2.213 2.613 1.00 0.00 O ATOM 1075 CB ALA A 70 12.588 1.478 0.849 1.00 0.00 C ATOM 0 H ALA A 70 11.338 3.617 1.083 1.00 0.00 H new ATOM 0 HA ALA A 70 11.600 1.275 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.243 0.621 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.708 1.165 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.122 2.245 0.288 1.00 0.00 H new ATOM 1081 N THR A 71 13.135 2.937 4.231 1.00 0.00 N ATOM 1082 CA THR A 71 14.212 3.328 5.132 1.00 0.00 C ATOM 1083 C THR A 71 13.900 2.915 6.569 1.00 0.00 C ATOM 1084 O THR A 71 14.462 3.463 7.517 1.00 0.00 O ATOM 1085 CB THR A 71 14.439 4.840 5.063 1.00 0.00 C ATOM 1086 OG1 THR A 71 13.459 5.529 5.817 1.00 0.00 O ATOM 1087 CG2 THR A 71 14.402 5.388 3.652 1.00 0.00 C ATOM 0 H THR A 71 12.198 3.105 4.597 1.00 0.00 H new ATOM 0 HA THR A 71 15.120 2.815 4.815 1.00 0.00 H new ATOM 0 HB THR A 71 15.437 5.001 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.622 6.494 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.570 6.465 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.181 4.912 3.056 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.428 5.182 3.207 1.00 0.00 H new ATOM 1095 N ALA A 72 12.996 1.951 6.724 1.00 0.00 N ATOM 1096 CA ALA A 72 12.607 1.472 8.045 1.00 0.00 C ATOM 1097 C ALA A 72 13.501 0.326 8.505 1.00 0.00 C ATOM 1098 O ALA A 72 14.443 -0.058 7.812 1.00 0.00 O ATOM 1099 CB ALA A 72 11.149 1.037 8.038 1.00 0.00 C ATOM 0 H ALA A 72 12.520 1.487 5.950 1.00 0.00 H new ATOM 0 HA ALA A 72 12.729 2.294 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.871 0.681 9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.518 1.883 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.012 0.234 7.313 1.00 0.00 H new ATOM 1105 N ASN A 73 13.199 -0.214 9.682 1.00 0.00 N ATOM 1106 CA ASN A 73 13.974 -1.317 10.241 1.00 0.00 C ATOM 1107 C ASN A 73 13.114 -2.569 10.380 1.00 0.00 C ATOM 1108 O ASN A 73 11.892 -2.484 10.499 1.00 0.00 O ATOM 1109 CB ASN A 73 14.548 -0.928 11.607 1.00 0.00 C ATOM 1110 CG ASN A 73 15.000 0.519 11.661 1.00 0.00 C ATOM 1111 OD1 ASN A 73 14.042 1.432 11.773 1.00 0.00 O flip ATOM 1112 ND2 ASN A 73 16.194 0.812 11.604 1.00 0.00 N flip ATOM 0 H ASN A 73 12.423 0.094 10.267 1.00 0.00 H new ATOM 0 HA ASN A 73 14.795 -1.532 9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.794 -1.098 12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.392 -1.577 11.840 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.896 0.077 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.482 1.790 11.643 1.00 0.00 H new ATOM 1119 N ASP A 74 13.761 -3.730 10.367 1.00 0.00 N ATOM 1120 CA ASP A 74 13.055 -5.000 10.496 1.00 0.00 C ATOM 1121 C ASP A 74 12.013 -5.163 9.392 1.00 0.00 C ATOM 1122 O ASP A 74 10.815 -5.261 9.663 1.00 0.00 O ATOM 1123 CB ASP A 74 12.385 -5.097 11.868 1.00 0.00 C ATOM 1124 CG ASP A 74 13.309 -5.670 12.924 1.00 0.00 C ATOM 1125 OD1 ASP A 74 14.211 -4.938 13.384 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.131 -6.850 13.293 1.00 0.00 O ATOM 0 H ASP A 74 14.772 -3.818 10.269 1.00 0.00 H new ATOM 0 HA ASP A 74 13.785 -5.803 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.054 -4.106 12.178 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.495 -5.721 11.791 1.00 0.00 H new ATOM 1131 N VAL A 75 12.476 -5.191 8.147 1.00 0.00 N ATOM 1132 CA VAL A 75 11.586 -5.344 7.003 1.00 0.00 C ATOM 1133 C VAL A 75 12.322 -5.961 5.814 1.00 0.00 C ATOM 1134 O VAL A 75 13.098 -5.284 5.138 1.00 0.00 O ATOM 1135 CB VAL A 75 10.983 -3.991 6.575 1.00 0.00 C ATOM 1136 CG1 VAL A 75 9.977 -4.181 5.449 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.337 -3.295 7.764 1.00 0.00 C ATOM 0 H VAL A 75 13.463 -5.110 7.905 1.00 0.00 H new ATOM 0 HA VAL A 75 10.780 -6.009 7.314 1.00 0.00 H new ATOM 0 HB VAL A 75 11.789 -3.358 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.564 -3.214 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.473 -4.632 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.172 -4.834 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.917 -2.342 7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.543 -3.924 8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.088 -3.120 8.535 1.00 0.00 H new ATOM 1147 N PRO A 76 12.090 -7.258 5.538 1.00 0.00 N ATOM 1148 CA PRO A 76 12.740 -7.955 4.422 1.00 0.00 C ATOM 1149 C PRO A 76 12.297 -7.411 3.069 1.00 0.00 C ATOM 1150 O PRO A 76 11.460 -8.008 2.391 1.00 0.00 O ATOM 1151 CB PRO A 76 12.287 -9.409 4.590 1.00 0.00 C ATOM 1152 CG PRO A 76 11.023 -9.326 5.373 1.00 0.00 C ATOM 1153 CD PRO A 76 11.181 -8.144 6.287 1.00 0.00 C ATOM 0 HA PRO A 76 13.823 -7.832 4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.123 -9.886 3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.039 -9.999 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.164 -9.198 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.856 -10.240 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.225 -7.661 6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.603 -8.433 7.250 1.00 0.00 H new ATOM 1161 N ASP A 77 12.861 -6.272 2.684 1.00 0.00 N ATOM 1162 CA ASP A 77 12.521 -5.643 1.413 1.00 0.00 C ATOM 1163 C ASP A 77 13.626 -5.851 0.381 1.00 0.00 C ATOM 1164 O ASP A 77 14.373 -4.927 0.061 1.00 0.00 O ATOM 1165 CB ASP A 77 12.268 -4.148 1.613 1.00 0.00 C ATOM 1166 CG ASP A 77 13.361 -3.480 2.423 1.00 0.00 C ATOM 1167 OD1 ASP A 77 14.472 -4.045 2.501 1.00 0.00 O ATOM 1168 OD2 ASP A 77 13.107 -2.391 2.980 1.00 0.00 O ATOM 0 H ASP A 77 13.555 -5.765 3.233 1.00 0.00 H new ATOM 0 HA ASP A 77 11.612 -6.114 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.192 -3.662 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.311 -4.008 2.115 1.00 0.00 H new ATOM 1173 N GLU A 78 13.718 -7.070 -0.143 1.00 0.00 N ATOM 1174 CA GLU A 78 14.725 -7.396 -1.147 1.00 0.00 C ATOM 1175 C GLU A 78 14.153 -7.222 -2.549 1.00 0.00 C ATOM 1176 O GLU A 78 13.453 -8.098 -3.057 1.00 0.00 O ATOM 1177 CB GLU A 78 15.220 -8.832 -0.957 1.00 0.00 C ATOM 1178 CG GLU A 78 14.099 -9.851 -0.839 1.00 0.00 C ATOM 1179 CD GLU A 78 13.810 -10.236 0.598 1.00 0.00 C ATOM 1180 OE1 GLU A 78 13.963 -9.372 1.487 1.00 0.00 O ATOM 1181 OE2 GLU A 78 13.430 -11.402 0.835 1.00 0.00 O ATOM 0 H GLU A 78 13.108 -7.847 0.111 1.00 0.00 H new ATOM 0 HA GLU A 78 15.567 -6.715 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.858 -9.102 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.838 -8.879 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.194 -9.444 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.364 -10.744 -1.404 1.00 0.00 H new ATOM 1188 N ILE A 79 14.444 -6.081 -3.166 1.00 0.00 N ATOM 1189 CA ILE A 79 13.945 -5.790 -4.504 1.00 0.00 C ATOM 1190 C ILE A 79 15.024 -5.174 -5.387 1.00 0.00 C ATOM 1191 O ILE A 79 16.020 -4.645 -4.894 1.00 0.00 O ATOM 1192 CB ILE A 79 12.739 -4.835 -4.450 1.00 0.00 C ATOM 1193 CG1 ILE A 79 13.132 -3.523 -3.758 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.568 -5.501 -3.738 1.00 0.00 C ATOM 1195 CD1 ILE A 79 13.299 -3.646 -2.257 1.00 0.00 C ATOM 0 H ILE A 79 15.022 -5.344 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 79 13.637 -6.742 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 79 12.427 -4.602 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.066 -3.162 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 79 12.372 -2.771 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.722 -4.814 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.282 -6.405 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.861 -5.761 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.577 -2.677 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.360 -3.976 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.080 -4.373 -2.036 1.00 0.00 H new ATOM 1207 N GLN A 80 14.814 -5.249 -6.698 1.00 0.00 N ATOM 1208 CA GLN A 80 15.763 -4.700 -7.660 1.00 0.00 C ATOM 1209 C GLN A 80 15.628 -3.182 -7.760 1.00 0.00 C ATOM 1210 O GLN A 80 16.622 -2.459 -7.701 1.00 0.00 O ATOM 1211 CB GLN A 80 15.552 -5.338 -9.035 1.00 0.00 C ATOM 1212 CG GLN A 80 16.830 -5.878 -9.657 1.00 0.00 C ATOM 1213 CD GLN A 80 17.191 -5.178 -10.953 1.00 0.00 C ATOM 1214 OE1 GLN A 80 18.341 -4.794 -11.165 1.00 0.00 O ATOM 1215 NE2 GLN A 80 16.207 -5.008 -11.828 1.00 0.00 N ATOM 0 H GLN A 80 13.994 -5.685 -7.119 1.00 0.00 H new ATOM 0 HA GLN A 80 16.769 -4.930 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.831 -6.150 -8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 80 15.115 -4.599 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.650 -5.766 -8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 80 16.715 -6.945 -9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.268 -5.342 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.390 -4.543 -12.717 1.00 0.00 H new ATOM 1224 N GLY A 81 14.395 -2.703 -7.911 1.00 0.00 N ATOM 1225 CA GLY A 81 14.168 -1.272 -8.016 1.00 0.00 C ATOM 1226 C GLY A 81 13.353 -0.724 -6.860 1.00 0.00 C ATOM 1227 O GLY A 81 12.423 -1.373 -6.383 1.00 0.00 O ATOM 0 H GLY A 81 13.554 -3.277 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.128 -0.758 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.653 -1.057 -8.953 1.00 0.00 H new ATOM 1231 N PHE A 82 13.720 0.468 -6.398 1.00 0.00 N ATOM 1232 CA PHE A 82 13.048 1.109 -5.281 1.00 0.00 C ATOM 1233 C PHE A 82 11.563 1.084 -5.337 1.00 0.00 C ATOM 1234 O PHE A 82 10.924 0.829 -4.316 1.00 0.00 O ATOM 1235 CB PHE A 82 13.532 2.533 -5.124 1.00 0.00 C ATOM 1236 CG PHE A 82 14.438 2.651 -3.966 1.00 0.00 C ATOM 1237 CD1 PHE A 82 13.957 2.421 -2.697 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.767 2.948 -4.148 1.00 0.00 C ATOM 1239 CE1 PHE A 82 14.800 2.497 -1.608 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.618 3.023 -3.076 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.138 2.800 -1.797 1.00 0.00 C ATOM 0 H PHE A 82 14.489 1.012 -6.788 1.00 0.00 H new ATOM 0 HA PHE A 82 13.316 0.510 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.049 2.849 -6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.680 3.200 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.914 2.180 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.145 3.124 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.419 2.321 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.661 3.256 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 82 16.805 2.862 -0.950 1.00 0.00 H new ATOM 1251 N PRO A 83 10.960 1.373 -6.464 1.00 0.00 N ATOM 1252 CA PRO A 83 9.536 1.384 -6.492 1.00 0.00 C ATOM 1253 C PRO A 83 8.968 -0.010 -6.279 1.00 0.00 C ATOM 1254 O PRO A 83 8.615 -0.712 -7.226 1.00 0.00 O ATOM 1255 CB PRO A 83 9.175 1.948 -7.862 1.00 0.00 C ATOM 1256 CG PRO A 83 10.454 2.436 -8.467 1.00 0.00 C ATOM 1257 CD PRO A 83 11.573 1.739 -7.746 1.00 0.00 C ATOM 0 HA PRO A 83 9.113 1.987 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.716 1.183 -8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.454 2.760 -7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.485 2.215 -9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.542 3.517 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.921 0.862 -8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.435 2.393 -7.610 1.00 0.00 H new ATOM 1265 N THR A 84 8.913 -0.403 -5.013 1.00 0.00 N ATOM 1266 CA THR A 84 8.425 -1.714 -4.626 1.00 0.00 C ATOM 1267 C THR A 84 7.005 -1.633 -4.070 1.00 0.00 C ATOM 1268 O THR A 84 6.651 -0.683 -3.373 1.00 0.00 O ATOM 1269 CB THR A 84 9.388 -2.319 -3.595 1.00 0.00 C ATOM 1270 OG1 THR A 84 10.260 -3.238 -4.223 1.00 0.00 O ATOM 1271 CG2 THR A 84 8.707 -3.049 -2.453 1.00 0.00 C ATOM 0 H THR A 84 9.206 0.180 -4.229 1.00 0.00 H new ATOM 0 HA THR A 84 8.386 -2.357 -5.505 1.00 0.00 H new ATOM 0 HB THR A 84 9.920 -1.466 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.635 -2.833 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.461 -3.444 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.059 -2.358 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.111 -3.870 -2.850 1.00 0.00 H new ATOM 1279 N ILE A 85 6.201 -2.643 -4.384 1.00 0.00 N ATOM 1280 CA ILE A 85 4.823 -2.699 -3.918 1.00 0.00 C ATOM 1281 C ILE A 85 4.545 -4.019 -3.207 1.00 0.00 C ATOM 1282 O ILE A 85 4.642 -5.091 -3.806 1.00 0.00 O ATOM 1283 CB ILE A 85 3.829 -2.533 -5.083 1.00 0.00 C ATOM 1284 CG1 ILE A 85 4.199 -1.311 -5.925 1.00 0.00 C ATOM 1285 CG2 ILE A 85 2.408 -2.408 -4.553 1.00 0.00 C ATOM 1286 CD1 ILE A 85 5.154 -1.622 -7.057 1.00 0.00 C ATOM 0 H ILE A 85 6.482 -3.436 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 85 4.687 -1.874 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 85 3.882 -3.418 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.289 -0.876 -6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.648 -0.557 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.717 -2.291 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.149 -3.305 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.338 -1.538 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.372 -0.709 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.080 -2.029 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.699 -2.352 -7.726 1.00 0.00 H new ATOM 1298 N LYS A 86 4.203 -3.934 -1.926 1.00 0.00 N ATOM 1299 CA LYS A 86 3.914 -5.121 -1.131 1.00 0.00 C ATOM 1300 C LYS A 86 2.411 -5.289 -0.938 1.00 0.00 C ATOM 1301 O LYS A 86 1.767 -4.490 -0.257 1.00 0.00 O ATOM 1302 CB LYS A 86 4.610 -5.031 0.229 1.00 0.00 C ATOM 1303 CG LYS A 86 6.076 -5.431 0.189 1.00 0.00 C ATOM 1304 CD LYS A 86 6.284 -6.844 0.709 1.00 0.00 C ATOM 1305 CE LYS A 86 7.726 -7.296 0.535 1.00 0.00 C ATOM 1306 NZ LYS A 86 8.232 -8.016 1.736 1.00 0.00 N ATOM 0 H LYS A 86 4.119 -3.055 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 86 4.293 -5.991 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.531 -4.010 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.086 -5.671 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.445 -5.361 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.661 -4.733 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.013 -6.888 1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.621 -7.529 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.800 -7.947 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.357 -6.429 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.988 -7.458 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.454 -8.150 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.608 -8.943 1.452 1.00 0.00 H new ATOM 1320 N LEU A 87 1.858 -6.333 -1.548 1.00 0.00 N ATOM 1321 CA LEU A 87 0.429 -6.606 -1.452 1.00 0.00 C ATOM 1322 C LEU A 87 0.136 -7.634 -0.362 1.00 0.00 C ATOM 1323 O LEU A 87 0.773 -8.688 -0.298 1.00 0.00 O ATOM 1324 CB LEU A 87 -0.105 -7.102 -2.800 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.295 -6.318 -3.354 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -2.510 -6.488 -2.456 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -0.939 -4.846 -3.502 1.00 0.00 C ATOM 0 H LEU A 87 2.378 -7.003 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.075 -5.677 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.705 -7.067 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.395 -8.147 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.541 -6.713 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.347 -5.923 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.777 -7.543 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.278 -6.120 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.797 -4.302 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.668 -4.438 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.097 -4.742 -4.186 1.00 0.00 H new ATOM 1339 N TYR A 88 -0.837 -7.313 0.488 1.00 0.00 N ATOM 1340 CA TYR A 88 -1.237 -8.196 1.579 1.00 0.00 C ATOM 1341 C TYR A 88 -2.758 -8.333 1.627 1.00 0.00 C ATOM 1342 O TYR A 88 -3.442 -7.518 2.246 1.00 0.00 O ATOM 1343 CB TYR A 88 -0.713 -7.659 2.910 1.00 0.00 C ATOM 1344 CG TYR A 88 0.756 -7.941 3.131 1.00 0.00 C ATOM 1345 CD1 TYR A 88 1.229 -9.245 3.207 1.00 0.00 C ATOM 1346 CD2 TYR A 88 1.670 -6.903 3.263 1.00 0.00 C ATOM 1347 CE1 TYR A 88 2.570 -9.507 3.410 1.00 0.00 C ATOM 1348 CE2 TYR A 88 3.014 -7.157 3.466 1.00 0.00 C ATOM 1349 CZ TYR A 88 3.458 -8.460 3.539 1.00 0.00 C ATOM 1350 OH TYR A 88 4.795 -8.717 3.741 1.00 0.00 O ATOM 0 H TYR A 88 -1.365 -6.442 0.440 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.807 -9.182 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.879 -6.583 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.287 -8.101 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.537 -10.068 3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.325 -5.881 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.921 -10.527 3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.712 -6.339 3.567 1.00 0.00 H new ATOM 0 HH TYR A 88 5.284 -7.871 3.810 1.00 0.00 H new ATOM 1360 N PRO A 89 -3.309 -9.366 0.964 1.00 0.00 N ATOM 1361 CA PRO A 89 -4.753 -9.601 0.927 1.00 0.00 C ATOM 1362 C PRO A 89 -5.269 -10.285 2.187 1.00 0.00 C ATOM 1363 O PRO A 89 -4.586 -11.122 2.776 1.00 0.00 O ATOM 1364 CB PRO A 89 -4.916 -10.517 -0.283 1.00 0.00 C ATOM 1365 CG PRO A 89 -3.646 -11.295 -0.335 1.00 0.00 C ATOM 1366 CD PRO A 89 -2.567 -10.381 0.190 1.00 0.00 C ATOM 0 HA PRO A 89 -5.319 -8.672 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.779 -11.173 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.068 -9.944 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.719 -12.198 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.425 -11.611 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.856 -10.920 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.997 -9.928 -0.621 1.00 0.00 H new ATOM 1374 N ALA A 90 -6.483 -9.926 2.593 1.00 0.00 N ATOM 1375 CA ALA A 90 -7.094 -10.508 3.781 1.00 0.00 C ATOM 1376 C ALA A 90 -7.615 -11.913 3.495 1.00 0.00 C ATOM 1377 O ALA A 90 -8.415 -12.114 2.582 1.00 0.00 O ATOM 1378 CB ALA A 90 -8.219 -9.615 4.284 1.00 0.00 C ATOM 0 H ALA A 90 -7.062 -9.235 2.116 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.331 -10.583 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.668 -10.060 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.819 -8.632 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.977 -9.512 3.507 1.00 0.00 H new ATOM 1384 N GLY A 91 -7.154 -12.881 4.280 1.00 0.00 N ATOM 1385 CA GLY A 91 -7.584 -14.254 4.093 1.00 0.00 C ATOM 1386 C GLY A 91 -6.618 -15.055 3.241 1.00 0.00 C ATOM 1387 O GLY A 91 -6.572 -16.282 3.332 1.00 0.00 O ATOM 0 H GLY A 91 -6.491 -12.739 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.689 -14.734 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.569 -14.262 3.625 1.00 0.00 H new ATOM 1391 N ALA A 92 -5.846 -14.361 2.410 1.00 0.00 N ATOM 1392 CA ALA A 92 -4.878 -15.017 1.538 1.00 0.00 C ATOM 1393 C ALA A 92 -3.492 -14.403 1.698 1.00 0.00 C ATOM 1394 O ALA A 92 -2.695 -14.391 0.759 1.00 0.00 O ATOM 1395 CB ALA A 92 -5.331 -14.933 0.089 1.00 0.00 C ATOM 0 H ALA A 92 -5.872 -13.345 2.322 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.818 -16.066 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.599 -15.427 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.298 -15.425 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.422 -13.887 -0.204 1.00 0.00 H new ATOM 1401 N LYS A 93 -3.210 -13.894 2.893 1.00 0.00 N ATOM 1402 CA LYS A 93 -1.919 -13.278 3.178 1.00 0.00 C ATOM 1403 C LYS A 93 -0.886 -14.335 3.561 1.00 0.00 C ATOM 1404 O LYS A 93 -1.094 -15.529 3.341 1.00 0.00 O ATOM 1405 CB LYS A 93 -2.063 -12.248 4.300 1.00 0.00 C ATOM 1406 CG LYS A 93 -2.587 -12.840 5.599 1.00 0.00 C ATOM 1407 CD LYS A 93 -3.905 -12.207 6.014 1.00 0.00 C ATOM 1408 CE LYS A 93 -3.715 -10.763 6.446 1.00 0.00 C ATOM 1409 NZ LYS A 93 -4.030 -9.804 5.349 1.00 0.00 N ATOM 0 H LYS A 93 -3.859 -13.896 3.680 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.573 -12.773 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.094 -11.785 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.737 -11.456 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.721 -13.915 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.849 -12.695 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.609 -12.250 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.343 -12.778 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.354 -10.555 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.685 -10.615 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.208 -9.189 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.254 -10.331 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.847 -9.222 5.621 1.00 0.00 H new ATOM 1423 N GLY A 94 0.229 -13.890 4.131 1.00 0.00 N ATOM 1424 CA GLY A 94 1.280 -14.806 4.530 1.00 0.00 C ATOM 1425 C GLY A 94 2.470 -14.758 3.591 1.00 0.00 C ATOM 1426 O GLY A 94 3.566 -15.192 3.945 1.00 0.00 O ATOM 0 H GLY A 94 0.423 -12.907 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.607 -14.563 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.883 -15.821 4.559 1.00 0.00 H new ATOM 1430 N GLN A 95 2.255 -14.217 2.395 1.00 0.00 N ATOM 1431 CA GLN A 95 3.317 -14.100 1.406 1.00 0.00 C ATOM 1432 C GLN A 95 3.393 -12.669 0.870 1.00 0.00 C ATOM 1433 O GLN A 95 2.426 -12.160 0.305 1.00 0.00 O ATOM 1434 CB GLN A 95 3.098 -15.095 0.258 1.00 0.00 C ATOM 1435 CG GLN A 95 1.992 -14.702 -0.713 1.00 0.00 C ATOM 1436 CD GLN A 95 0.633 -14.603 -0.048 1.00 0.00 C ATOM 1437 OE1 GLN A 95 0.005 -15.616 0.261 1.00 0.00 O ATOM 1438 NE2 GLN A 95 0.171 -13.378 0.175 1.00 0.00 N ATOM 0 H GLN A 95 1.353 -13.853 2.089 1.00 0.00 H new ATOM 0 HA GLN A 95 4.265 -14.338 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.030 -15.202 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.864 -16.072 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.239 -13.743 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.945 -15.435 -1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.725 -12.566 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.738 -13.249 0.619 1.00 0.00 H new ATOM 1447 N PRO A 96 4.542 -11.993 1.042 1.00 0.00 N ATOM 1448 CA PRO A 96 4.718 -10.617 0.569 1.00 0.00 C ATOM 1449 C PRO A 96 4.738 -10.533 -0.952 1.00 0.00 C ATOM 1450 O PRO A 96 5.677 -11.002 -1.595 1.00 0.00 O ATOM 1451 CB PRO A 96 6.076 -10.209 1.145 1.00 0.00 C ATOM 1452 CG PRO A 96 6.803 -11.493 1.351 1.00 0.00 C ATOM 1453 CD PRO A 96 5.754 -12.508 1.707 1.00 0.00 C ATOM 0 HA PRO A 96 3.899 -9.970 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.615 -9.554 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.961 -9.665 2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.340 -11.787 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.542 -11.400 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.018 -13.502 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.619 -12.585 2.786 1.00 0.00 H new ATOM 1461 N VAL A 97 3.698 -9.934 -1.526 1.00 0.00 N ATOM 1462 CA VAL A 97 3.611 -9.798 -2.975 1.00 0.00 C ATOM 1463 C VAL A 97 4.463 -8.632 -3.463 1.00 0.00 C ATOM 1464 O VAL A 97 4.103 -7.469 -3.286 1.00 0.00 O ATOM 1465 CB VAL A 97 2.157 -9.586 -3.435 1.00 0.00 C ATOM 1466 CG1 VAL A 97 2.065 -9.614 -4.953 1.00 0.00 C ATOM 1467 CG2 VAL A 97 1.244 -10.635 -2.817 1.00 0.00 C ATOM 0 H VAL A 97 2.910 -9.538 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 97 3.985 -10.727 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 97 1.827 -8.604 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.029 -9.462 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.686 -8.821 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.414 -10.579 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.220 -10.470 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.571 -11.628 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.286 -10.559 -1.730 1.00 0.00 H new ATOM 1477 N THR A 98 5.597 -8.954 -4.077 1.00 0.00 N ATOM 1478 CA THR A 98 6.505 -7.934 -4.590 1.00 0.00 C ATOM 1479 C THR A 98 6.268 -7.689 -6.075 1.00 0.00 C ATOM 1480 O THR A 98 6.342 -8.611 -6.888 1.00 0.00 O ATOM 1481 CB THR A 98 7.959 -8.349 -4.356 1.00 0.00 C ATOM 1482 OG1 THR A 98 8.160 -9.704 -4.721 1.00 0.00 O ATOM 1483 CG2 THR A 98 8.402 -8.188 -2.918 1.00 0.00 C ATOM 0 H THR A 98 5.909 -9.913 -4.231 1.00 0.00 H new ATOM 0 HA THR A 98 6.308 -7.007 -4.052 1.00 0.00 H new ATOM 0 HB THR A 98 8.554 -7.682 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.720 -9.881 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.442 -8.500 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.307 -7.143 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.776 -8.805 -2.273 1.00 0.00 H new ATOM 1491 N TYR A 99 5.983 -6.439 -6.422 1.00 0.00 N ATOM 1492 CA TYR A 99 5.735 -6.067 -7.810 1.00 0.00 C ATOM 1493 C TYR A 99 7.035 -6.040 -8.607 1.00 0.00 C ATOM 1494 O TYR A 99 8.113 -6.284 -8.066 1.00 0.00 O ATOM 1495 CB TYR A 99 5.058 -4.698 -7.876 1.00 0.00 C ATOM 1496 CG TYR A 99 3.551 -4.759 -7.783 1.00 0.00 C ATOM 1497 CD1 TYR A 99 2.927 -5.555 -6.831 1.00 0.00 C ATOM 1498 CD2 TYR A 99 2.753 -4.020 -8.647 1.00 0.00 C ATOM 1499 CE1 TYR A 99 1.549 -5.612 -6.742 1.00 0.00 C ATOM 1500 CE2 TYR A 99 1.374 -4.072 -8.564 1.00 0.00 C ATOM 1501 CZ TYR A 99 0.777 -4.869 -7.611 1.00 0.00 C ATOM 1502 OH TYR A 99 -0.595 -4.924 -7.526 1.00 0.00 O ATOM 0 H TYR A 99 5.918 -5.665 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 99 5.076 -6.816 -8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.438 -4.075 -7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.336 -4.210 -8.810 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.528 -6.139 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.217 -3.395 -9.395 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.079 -6.235 -5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.767 -3.491 -9.243 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.914 -5.762 -7.922 1.00 0.00 H new ATOM 1512 N SER A 100 6.924 -5.737 -9.896 1.00 0.00 N ATOM 1513 CA SER A 100 8.089 -5.672 -10.771 1.00 0.00 C ATOM 1514 C SER A 100 8.265 -4.269 -11.349 1.00 0.00 C ATOM 1515 O SER A 100 8.999 -4.076 -12.319 1.00 0.00 O ATOM 1516 CB SER A 100 7.957 -6.690 -11.906 1.00 0.00 C ATOM 1517 OG SER A 100 8.441 -7.962 -11.510 1.00 0.00 O ATOM 0 H SER A 100 6.038 -5.532 -10.358 1.00 0.00 H new ATOM 0 HA SER A 100 8.970 -5.911 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.912 -6.772 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.512 -6.342 -12.777 1.00 0.00 H new ATOM 0 HG SER A 100 8.344 -8.595 -12.252 1.00 0.00 H new ATOM 1523 N GLY A 101 7.589 -3.291 -10.750 1.00 0.00 N ATOM 1524 CA GLY A 101 7.687 -1.923 -11.222 1.00 0.00 C ATOM 1525 C GLY A 101 6.338 -1.234 -11.284 1.00 0.00 C ATOM 1526 O GLY A 101 5.420 -1.711 -11.952 1.00 0.00 O ATOM 0 H GLY A 101 6.975 -3.423 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.349 -1.361 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.142 -1.915 -12.213 1.00 0.00 H new ATOM 1530 N SER A 102 6.216 -0.110 -10.586 1.00 0.00 N ATOM 1531 CA SER A 102 4.967 0.643 -10.564 1.00 0.00 C ATOM 1532 C SER A 102 5.038 1.844 -11.503 1.00 0.00 C ATOM 1533 O SER A 102 6.120 2.349 -11.802 1.00 0.00 O ATOM 1534 CB SER A 102 4.651 1.109 -9.141 1.00 0.00 C ATOM 1535 OG SER A 102 3.714 2.172 -9.146 1.00 0.00 O ATOM 0 H SER A 102 6.966 0.299 -10.029 1.00 0.00 H new ATOM 0 HA SER A 102 4.169 -0.016 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.255 0.275 -8.562 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.569 1.432 -8.649 1.00 0.00 H new ATOM 0 HG SER A 102 3.178 2.140 -8.326 1.00 0.00 H new ATOM 1541 N ARG A 103 3.875 2.296 -11.963 1.00 0.00 N ATOM 1542 CA ARG A 103 3.802 3.438 -12.867 1.00 0.00 C ATOM 1543 C ARG A 103 2.626 4.342 -12.508 1.00 0.00 C ATOM 1544 O ARG A 103 2.770 5.561 -12.426 1.00 0.00 O ATOM 1545 CB ARG A 103 3.671 2.963 -14.315 1.00 0.00 C ATOM 1546 CG ARG A 103 4.946 2.351 -14.872 1.00 0.00 C ATOM 1547 CD ARG A 103 5.765 3.374 -15.642 1.00 0.00 C ATOM 1548 NE ARG A 103 6.948 2.778 -16.257 1.00 0.00 N ATOM 1549 CZ ARG A 103 8.019 2.381 -15.573 1.00 0.00 C ATOM 1550 NH1 ARG A 103 8.059 2.514 -14.253 1.00 0.00 N ATOM 1551 NH2 ARG A 103 9.053 1.849 -16.211 1.00 0.00 N ATOM 0 H ARG A 103 2.971 1.889 -11.724 1.00 0.00 H new ATOM 0 HA ARG A 103 4.723 4.011 -12.762 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.868 2.228 -14.376 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.379 3.807 -14.940 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.543 1.946 -14.055 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.694 1.517 -15.527 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.144 3.828 -16.415 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.071 4.174 -14.968 1.00 0.00 H new ATOM 0 HE ARG A 103 6.954 2.659 -17.270 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.266 2.922 -13.757 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.882 2.208 -13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.027 1.744 -17.225 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.874 1.545 -15.687 1.00 0.00 H new ATOM 1565 N THR A 104 1.463 3.735 -12.294 1.00 0.00 N ATOM 1566 CA THR A 104 0.263 4.485 -11.943 1.00 0.00 C ATOM 1567 C THR A 104 -0.596 3.708 -10.950 1.00 0.00 C ATOM 1568 O THR A 104 -0.568 2.478 -10.919 1.00 0.00 O ATOM 1569 CB THR A 104 -0.550 4.803 -13.200 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.302 5.194 -14.262 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.563 5.908 -12.993 1.00 0.00 C ATOM 0 H THR A 104 1.326 2.726 -12.358 1.00 0.00 H new ATOM 0 HA THR A 104 0.573 5.418 -11.473 1.00 0.00 H new ATOM 0 HB THR A 104 -1.084 3.883 -13.440 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.236 5.392 -15.057 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.105 6.084 -13.922 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.266 5.616 -12.213 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.049 6.822 -12.695 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.357 4.436 -10.138 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.223 3.817 -9.141 1.00 0.00 C ATOM 1581 C VAL A 105 -3.288 2.942 -9.795 1.00 0.00 C ATOM 1582 O VAL A 105 -3.775 1.987 -9.190 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.916 4.878 -8.266 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.901 5.595 -7.389 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.680 5.868 -9.133 1.00 0.00 C ATOM 0 H VAL A 105 -1.391 5.455 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.584 3.195 -8.514 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.630 4.375 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.410 6.341 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.405 4.872 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.159 6.087 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.163 6.610 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.988 6.366 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.437 5.337 -9.711 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.648 3.274 -11.031 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.660 2.517 -11.762 1.00 0.00 C ATOM 1597 C GLU A 106 -4.273 1.044 -11.870 1.00 0.00 C ATOM 1598 O GLU A 106 -5.133 0.163 -11.851 1.00 0.00 O ATOM 1599 CB GLU A 106 -4.857 3.108 -13.159 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.635 2.981 -14.053 1.00 0.00 C ATOM 1601 CD GLU A 106 -3.425 4.199 -14.931 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -3.780 5.314 -14.493 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -2.906 4.039 -16.055 1.00 0.00 O ATOM 0 H GLU A 106 -3.255 4.061 -11.547 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.597 2.586 -11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.700 2.611 -13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.119 4.162 -13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.751 2.827 -13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.741 2.098 -14.683 1.00 0.00 H new ATOM 1610 N ASP A 107 -2.974 0.784 -11.984 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.476 -0.582 -12.096 1.00 0.00 C ATOM 1612 C ASP A 107 -2.517 -1.291 -10.746 1.00 0.00 C ATOM 1613 O ASP A 107 -2.690 -2.508 -10.678 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.047 -0.582 -12.644 1.00 0.00 C ATOM 1615 CG ASP A 107 -0.821 -1.674 -13.671 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -0.689 -2.849 -13.269 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -0.777 -1.354 -14.878 1.00 0.00 O ATOM 0 H ASP A 107 -2.248 1.501 -12.001 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.123 -1.122 -12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.834 0.387 -13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.345 -0.711 -11.820 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.355 -0.522 -9.674 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.372 -1.078 -8.326 1.00 0.00 C ATOM 1624 C LEU A 108 -3.777 -1.524 -7.935 1.00 0.00 C ATOM 1625 O LEU A 108 -3.986 -2.669 -7.534 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.855 -0.047 -7.321 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.864 -0.503 -5.861 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.556 -1.194 -5.509 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -2.111 0.678 -4.936 1.00 0.00 C ATOM 0 H LEU A 108 -2.211 0.487 -9.713 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.718 -1.950 -8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.835 0.224 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.459 0.856 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.675 -1.219 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.581 -1.511 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.421 -2.065 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.273 -0.502 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.114 0.335 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.321 1.417 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.075 1.129 -5.172 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.737 -0.613 -8.055 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.124 -0.910 -7.713 1.00 0.00 C ATOM 1643 C ILE A 109 -6.638 -2.121 -8.488 1.00 0.00 C ATOM 1644 O ILE A 109 -7.277 -3.006 -7.921 1.00 0.00 O ATOM 1645 CB ILE A 109 -7.041 0.297 -7.997 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.484 -0.020 -7.589 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -6.967 0.681 -9.468 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.479 1.050 -7.985 1.00 0.00 C ATOM 0 H ILE A 109 -4.580 0.339 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.146 -1.132 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.698 1.145 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.781 -0.965 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.524 -0.159 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.619 1.534 -9.655 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.941 0.946 -9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.288 -0.162 -10.081 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.478 0.755 -7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.208 1.993 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.469 1.174 -9.068 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.357 -2.151 -9.787 1.00 0.00 N ATOM 1661 CA LYS A 110 -6.795 -3.252 -10.637 1.00 0.00 C ATOM 1662 C LYS A 110 -6.256 -4.586 -10.126 1.00 0.00 C ATOM 1663 O LYS A 110 -6.958 -5.597 -10.143 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.338 -3.023 -12.079 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.373 -2.317 -12.940 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.368 -2.846 -14.365 1.00 0.00 C ATOM 1667 CE LYS A 110 -6.461 -2.020 -15.263 1.00 0.00 C ATOM 1668 NZ LYS A 110 -6.189 -2.704 -16.557 1.00 0.00 N ATOM 0 H LYS A 110 -5.829 -1.426 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.884 -3.287 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.421 -2.434 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.096 -3.984 -12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.363 -2.452 -12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.171 -1.246 -12.948 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.036 -3.884 -14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.383 -2.835 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.924 -1.052 -15.454 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.519 -1.827 -14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.567 -2.109 -17.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.724 -3.617 -16.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.085 -2.865 -17.060 1.00 0.00 H new ATOM 1682 N PHE A 111 -5.007 -4.579 -9.673 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.374 -5.788 -9.158 1.00 0.00 C ATOM 1684 C PHE A 111 -5.050 -6.253 -7.872 1.00 0.00 C ATOM 1685 O PHE A 111 -5.388 -7.427 -7.726 1.00 0.00 O ATOM 1686 CB PHE A 111 -2.884 -5.540 -8.908 1.00 0.00 C ATOM 1687 CG PHE A 111 -1.984 -6.471 -9.669 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -1.932 -6.427 -11.053 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -1.191 -7.389 -9.001 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.104 -7.282 -11.756 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -0.362 -8.247 -9.699 1.00 0.00 C ATOM 1692 CZ PHE A 111 -0.318 -8.193 -11.078 1.00 0.00 C ATOM 0 H PHE A 111 -4.413 -3.750 -9.652 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.484 -6.573 -9.906 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.644 -4.512 -9.181 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.681 -5.642 -7.842 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.545 -5.717 -11.588 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.221 -7.435 -7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.072 -7.238 -12.835 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.251 -8.959 -9.166 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.330 -8.862 -11.625 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.245 -5.324 -6.942 1.00 0.00 N ATOM 1703 CA ILE A 112 -5.880 -5.640 -5.668 1.00 0.00 C ATOM 1704 C ILE A 112 -7.275 -6.225 -5.874 1.00 0.00 C ATOM 1705 O ILE A 112 -7.795 -6.931 -5.010 1.00 0.00 O ATOM 1706 CB ILE A 112 -5.985 -4.393 -4.766 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.615 -3.730 -4.612 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.553 -4.766 -3.404 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.676 -2.219 -4.563 1.00 0.00 C ATOM 0 H ILE A 112 -4.973 -4.347 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.249 -6.382 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.663 -3.681 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.144 -4.096 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.978 -4.033 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.620 -3.874 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.547 -5.196 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.900 -5.495 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.669 -1.818 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.118 -1.843 -5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.286 -1.907 -3.715 1.00 0.00 H new ATOM 1721 N ALA A 113 -7.877 -5.929 -7.022 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.210 -6.428 -7.336 1.00 0.00 C ATOM 1723 C ALA A 113 -9.153 -7.863 -7.848 1.00 0.00 C ATOM 1724 O ALA A 113 -10.053 -8.662 -7.588 1.00 0.00 O ATOM 1725 CB ALA A 113 -9.883 -5.527 -8.360 1.00 0.00 C ATOM 0 H ALA A 113 -7.462 -5.346 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.799 -6.421 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.878 -5.912 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.967 -4.518 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.287 -5.505 -9.273 1.00 0.00 H new ATOM 1731 N GLU A 114 -8.089 -8.184 -8.577 1.00 0.00 N ATOM 1732 CA GLU A 114 -7.915 -9.523 -9.127 1.00 0.00 C ATOM 1733 C GLU A 114 -7.169 -10.424 -8.147 1.00 0.00 C ATOM 1734 O GLU A 114 -7.364 -11.639 -8.135 1.00 0.00 O ATOM 1735 CB GLU A 114 -7.157 -9.457 -10.454 1.00 0.00 C ATOM 1736 CG GLU A 114 -7.764 -8.487 -11.454 1.00 0.00 C ATOM 1737 CD GLU A 114 -8.849 -9.124 -12.299 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -9.932 -9.421 -11.751 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -8.617 -9.326 -13.510 1.00 0.00 O ATOM 0 H GLU A 114 -7.334 -7.535 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.904 -9.947 -9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.125 -9.166 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.129 -10.453 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.179 -7.633 -10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.979 -8.104 -12.106 1.00 0.00 H new ATOM 1746 N ASN A 115 -6.313 -9.820 -7.328 1.00 0.00 N ATOM 1747 CA ASN A 115 -5.538 -10.570 -6.346 1.00 0.00 C ATOM 1748 C ASN A 115 -6.238 -10.578 -4.990 1.00 0.00 C ATOM 1749 O ASN A 115 -6.116 -11.533 -4.223 1.00 0.00 O ATOM 1750 CB ASN A 115 -4.137 -9.971 -6.207 1.00 0.00 C ATOM 1751 CG ASN A 115 -3.335 -10.072 -7.489 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -2.396 -10.862 -7.587 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -3.701 -9.269 -8.481 1.00 0.00 N ATOM 0 H ASN A 115 -6.139 -8.815 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.453 -11.599 -6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.220 -8.924 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.603 -10.484 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.197 -9.292 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.486 -8.629 -8.356 1.00 0.00 H new ATOM 1760 N GLY A 116 -6.970 -9.507 -4.701 1.00 0.00 N ATOM 1761 CA GLY A 116 -7.677 -9.411 -3.437 1.00 0.00 C ATOM 1762 C GLY A 116 -8.904 -10.301 -3.389 1.00 0.00 C ATOM 1763 O GLY A 116 -9.673 -10.362 -4.348 1.00 0.00 O ATOM 0 H GLY A 116 -7.086 -8.704 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.002 -9.684 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.976 -8.376 -3.269 1.00 0.00 H new ATOM 1767 N LYS A 117 -9.087 -10.992 -2.269 1.00 0.00 N ATOM 1768 CA LYS A 117 -10.230 -11.883 -2.097 1.00 0.00 C ATOM 1769 C LYS A 117 -11.500 -11.101 -1.764 1.00 0.00 C ATOM 1770 O LYS A 117 -12.592 -11.668 -1.723 1.00 0.00 O ATOM 1771 CB LYS A 117 -9.944 -12.905 -0.995 1.00 0.00 C ATOM 1772 CG LYS A 117 -10.516 -14.284 -1.280 1.00 0.00 C ATOM 1773 CD LYS A 117 -10.271 -15.239 -0.124 1.00 0.00 C ATOM 1774 CE LYS A 117 -10.135 -16.674 -0.607 1.00 0.00 C ATOM 1775 NZ LYS A 117 -9.369 -17.515 0.355 1.00 0.00 N ATOM 0 H LYS A 117 -8.459 -10.953 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.390 -12.405 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.866 -12.989 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.355 -12.538 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.587 -14.203 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.065 -14.686 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.365 -14.945 0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.094 -15.170 0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.126 -17.103 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.636 -16.685 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.299 -18.486 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.414 -17.121 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.858 -17.526 1.273 1.00 0.00 H new ATOM 1789 N TYR A 118 -11.355 -9.799 -1.526 1.00 0.00 N ATOM 1790 CA TYR A 118 -12.495 -8.950 -1.197 1.00 0.00 C ATOM 1791 C TYR A 118 -13.071 -8.286 -2.447 1.00 0.00 C ATOM 1792 O TYR A 118 -13.739 -7.257 -2.359 1.00 0.00 O ATOM 1793 CB TYR A 118 -12.084 -7.881 -0.183 1.00 0.00 C ATOM 1794 CG TYR A 118 -12.318 -8.287 1.255 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -13.587 -8.636 1.700 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -11.270 -8.322 2.166 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -13.805 -9.008 3.013 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -11.480 -8.693 3.481 1.00 0.00 C ATOM 1799 CZ TYR A 118 -12.749 -9.035 3.899 1.00 0.00 C ATOM 1800 OH TYR A 118 -12.962 -9.405 5.207 1.00 0.00 O ATOM 0 H TYR A 118 -10.460 -9.311 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.268 -9.583 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -11.027 -7.650 -0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.639 -6.966 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -14.417 -8.616 1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -10.275 -8.055 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -14.798 -9.276 3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.655 -8.715 4.177 1.00 0.00 H new ATOM 0 HH TYR A 118 -12.115 -9.372 5.698 1.00 0.00 H new