USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 68 LYS NZ :NH3+ 173:sc= -0.835 (180deg=-0.903) USER MOD Set 1.2: A 84 SER OG : rot 110:sc= 0.631 USER MOD Set 2.1: A 61 SER OG : rot 180:sc= -0.773 USER MOD Set 2.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 37 SER OG : rot 123:sc= 1.06 USER MOD Set 3.3: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 16 LYS NZ :NH3+ 144:sc= -0.892! (180deg=-1.51!) USER MOD Set 4.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 13 TYR OH : rot 180:sc= 0.0623 USER MOD Set 5.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -0.211 (180deg=-1.97!) USER MOD Single : A 11 GLN : amide:sc= -0.0945 X(o=-0.095,f=0) USER MOD Single : A 14 MET CE :methyl -163:sc= -3.45 (180deg=-4.83!) USER MOD Single : A 15 MET CE :methyl -162:sc= 0 (180deg=-0.12) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.086 (180deg=-0.524) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.37 K(o=-2.4,f=-6.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -3.54 F(o=-4.7!,f=-3.5) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 160:sc= -1.38 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= -0.255 (180deg=-0.983) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.234 F(o=-1,f=-0.23) USER MOD Single : A 96 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.015) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.517 F(o=-1.5!,f=-0.52) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.956 8.741 -2.131 1.00 0.00 N ATOM 67 CA VAL A 8 -10.673 8.474 -1.494 1.00 0.00 C ATOM 68 C VAL A 8 -10.711 8.828 -0.011 1.00 0.00 C ATOM 69 O VAL A 8 -11.400 9.764 0.397 1.00 0.00 O ATOM 70 CB VAL A 8 -9.536 9.263 -2.169 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.832 10.755 -2.144 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.206 8.964 -1.494 1.00 0.00 C ATOM 0 HA VAL A 8 -10.481 7.407 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.468 8.948 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.017 11.296 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.762 10.950 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.929 11.089 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.414 9.530 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.259 9.249 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.991 7.898 -1.570 1.00 0.00 H new ATOM 82 N LEU A 9 -9.967 8.075 0.791 1.00 0.00 N ATOM 83 CA LEU A 9 -9.915 8.309 2.230 1.00 0.00 C ATOM 84 C LEU A 9 -8.715 9.177 2.597 1.00 0.00 C ATOM 85 O LEU A 9 -8.847 10.162 3.323 1.00 0.00 O ATOM 86 CB LEU A 9 -9.844 6.978 2.980 1.00 0.00 C ATOM 87 CG LEU A 9 -10.833 5.901 2.532 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.525 4.577 3.212 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.262 6.334 2.825 1.00 0.00 C ATOM 0 H LEU A 9 -9.391 7.297 0.469 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.824 8.835 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.834 6.580 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.005 7.172 4.040 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.729 5.765 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.239 3.823 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.515 4.260 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.599 4.697 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.952 5.556 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.380 6.499 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.479 7.258 2.290 1.00 0.00 H new ATOM 101 N LYS A 10 -7.545 8.806 2.088 1.00 0.00 N ATOM 102 CA LYS A 10 -6.322 9.551 2.359 1.00 0.00 C ATOM 103 C LYS A 10 -5.583 9.874 1.064 1.00 0.00 C ATOM 104 O LYS A 10 -5.699 9.148 0.077 1.00 0.00 O ATOM 105 CB LYS A 10 -5.410 8.753 3.293 1.00 0.00 C ATOM 106 CG LYS A 10 -4.550 9.623 4.194 1.00 0.00 C ATOM 107 CD LYS A 10 -3.585 8.789 5.019 1.00 0.00 C ATOM 108 CE LYS A 10 -3.278 9.450 6.354 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.435 9.375 7.289 1.00 0.00 N ATOM 0 H LYS A 10 -7.418 7.993 1.485 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.597 10.488 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.022 8.097 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.762 8.113 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.990 10.335 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.190 10.204 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.011 7.801 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.659 8.644 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.412 8.967 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.011 10.494 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.502 10.261 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.311 9.233 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.301 8.579 7.944 1.00 0.00 H new ATOM 123 N GLN A 11 -4.824 10.965 1.077 1.00 0.00 N ATOM 124 CA GLN A 11 -4.067 11.382 -0.097 1.00 0.00 C ATOM 125 C GLN A 11 -2.889 12.265 0.300 1.00 0.00 C ATOM 126 O GLN A 11 -3.031 13.178 1.112 1.00 0.00 O ATOM 127 CB GLN A 11 -4.973 12.130 -1.076 1.00 0.00 C ATOM 128 CG GLN A 11 -5.637 13.358 -0.474 1.00 0.00 C ATOM 129 CD GLN A 11 -6.834 13.828 -1.277 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.886 14.140 -0.720 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.678 13.881 -2.595 1.00 0.00 N ATOM 0 H GLN A 11 -4.717 11.576 1.887 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.679 10.487 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.386 12.433 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.745 11.450 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.954 13.132 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.908 14.166 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.788 13.613 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.448 14.190 -3.188 1.00 0.00 H new ATOM 140 N GLY A 12 -1.724 11.986 -0.278 1.00 0.00 N ATOM 141 CA GLY A 12 -0.538 12.764 0.029 1.00 0.00 C ATOM 142 C GLY A 12 0.684 12.281 -0.726 1.00 0.00 C ATOM 143 O GLY A 12 0.782 11.104 -1.074 1.00 0.00 O ATOM 0 H GLY A 12 -1.581 11.235 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.721 13.811 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.342 12.715 1.100 1.00 0.00 H new ATOM 147 N TYR A 13 1.617 13.190 -0.981 1.00 0.00 N ATOM 148 CA TYR A 13 2.837 12.851 -1.704 1.00 0.00 C ATOM 149 C TYR A 13 3.706 11.897 -0.889 1.00 0.00 C ATOM 150 O TYR A 13 4.334 12.296 0.091 1.00 0.00 O ATOM 151 CB TYR A 13 3.627 14.118 -2.037 1.00 0.00 C ATOM 152 CG TYR A 13 3.134 14.830 -3.277 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.115 14.188 -4.509 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.688 16.145 -3.216 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.666 14.835 -5.644 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.236 16.799 -4.346 1.00 0.00 C ATOM 157 CZ TYR A 13 2.228 16.140 -5.558 1.00 0.00 C ATOM 158 OH TYR A 13 1.779 16.787 -6.686 1.00 0.00 O ATOM 0 H TYR A 13 1.552 14.168 -0.698 1.00 0.00 H new ATOM 0 HA TYR A 13 2.553 12.354 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.574 14.802 -1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.677 13.857 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.457 13.166 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.695 16.664 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.658 14.321 -6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.891 17.820 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 13 1.506 17.699 -6.453 1.00 0.00 H new ATOM 168 N MET A 14 3.736 10.635 -1.304 1.00 0.00 N ATOM 169 CA MET A 14 4.528 9.623 -0.615 1.00 0.00 C ATOM 170 C MET A 14 5.678 9.141 -1.494 1.00 0.00 C ATOM 171 O MET A 14 5.583 9.161 -2.721 1.00 0.00 O ATOM 172 CB MET A 14 3.646 8.440 -0.213 1.00 0.00 C ATOM 173 CG MET A 14 2.757 8.724 0.986 1.00 0.00 C ATOM 174 SD MET A 14 2.199 7.220 1.809 1.00 0.00 S ATOM 175 CE MET A 14 1.121 6.529 0.556 1.00 0.00 C ATOM 0 H MET A 14 3.221 10.289 -2.114 1.00 0.00 H new ATOM 0 HA MET A 14 4.947 10.075 0.284 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.020 8.160 -1.060 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.282 7.583 0.011 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.302 9.343 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.890 9.299 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.474 5.777 1.007 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.510 7.322 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.722 6.067 -0.227 1.00 0.00 H new ATOM 185 N MET A 15 6.761 8.707 -0.859 1.00 0.00 N ATOM 186 CA MET A 15 7.928 8.219 -1.584 1.00 0.00 C ATOM 187 C MET A 15 7.840 6.712 -1.805 1.00 0.00 C ATOM 188 O MET A 15 7.912 5.930 -0.857 1.00 0.00 O ATOM 189 CB MET A 15 9.210 8.560 -0.821 1.00 0.00 C ATOM 190 CG MET A 15 9.524 10.047 -0.796 1.00 0.00 C ATOM 191 SD MET A 15 11.283 10.381 -0.578 1.00 0.00 S ATOM 192 CE MET A 15 11.881 10.155 -2.251 1.00 0.00 C ATOM 0 H MET A 15 6.855 8.683 0.156 1.00 0.00 H new ATOM 0 HA MET A 15 7.951 8.711 -2.557 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.121 8.198 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.046 8.028 -1.275 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.184 10.502 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.965 10.519 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.961 10.009 -2.235 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.404 9.280 -2.693 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.643 11.037 -2.845 1.00 0.00 H new ATOM 202 N LYS A 16 7.682 6.311 -3.062 1.00 0.00 N ATOM 203 CA LYS A 16 7.585 4.898 -3.408 1.00 0.00 C ATOM 204 C LYS A 16 8.913 4.377 -3.947 1.00 0.00 C ATOM 205 O LYS A 16 9.406 4.847 -4.973 1.00 0.00 O ATOM 206 CB LYS A 16 6.480 4.681 -4.444 1.00 0.00 C ATOM 207 CG LYS A 16 6.500 3.298 -5.073 1.00 0.00 C ATOM 208 CD LYS A 16 5.123 2.893 -5.573 1.00 0.00 C ATOM 209 CE LYS A 16 5.211 1.799 -6.625 1.00 0.00 C ATOM 210 NZ LYS A 16 4.078 1.863 -7.589 1.00 0.00 N ATOM 0 H LYS A 16 7.618 6.945 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 16 7.339 4.343 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.512 4.841 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.578 5.430 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.208 3.284 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.851 2.570 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.518 2.546 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.617 3.763 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.153 1.890 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.217 0.825 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.414 1.599 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.331 1.204 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.697 2.830 -7.613 1.00 0.00 H new ATOM 224 N LYS A 17 9.487 3.401 -3.251 1.00 0.00 N ATOM 225 CA LYS A 17 10.757 2.814 -3.661 1.00 0.00 C ATOM 226 C LYS A 17 10.740 2.463 -5.146 1.00 0.00 C ATOM 227 O LYS A 17 11.789 2.295 -5.766 1.00 0.00 O ATOM 228 CB LYS A 17 11.054 1.561 -2.833 1.00 0.00 C ATOM 229 CG LYS A 17 12.183 0.715 -3.395 1.00 0.00 C ATOM 230 CD LYS A 17 12.959 0.017 -2.290 1.00 0.00 C ATOM 231 CE LYS A 17 12.250 -1.244 -1.821 1.00 0.00 C ATOM 232 NZ LYS A 17 12.182 -2.273 -2.895 1.00 0.00 N ATOM 0 H LYS A 17 9.092 3.000 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 17 11.542 3.550 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.306 1.859 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.151 0.953 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.776 -0.028 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.859 1.345 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.956 -0.237 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.087 0.698 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.773 -1.655 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.241 -0.993 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.047 -3.212 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.384 -2.062 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.067 -2.265 -3.440 1.00 0.00 H new ATOM 355 N TRP A 24 14.275 5.662 -4.711 1.00 0.00 N ATOM 356 CA TRP A 24 13.041 6.196 -4.147 1.00 0.00 C ATOM 357 C TRP A 24 12.623 7.475 -4.865 1.00 0.00 C ATOM 358 O TRP A 24 13.464 8.293 -5.239 1.00 0.00 O ATOM 359 CB TRP A 24 13.215 6.469 -2.653 1.00 0.00 C ATOM 360 CG TRP A 24 13.334 5.222 -1.831 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.459 4.473 -1.635 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.288 4.577 -1.096 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.176 3.402 -0.823 1.00 0.00 N ATOM 364 CE2 TRP A 24 12.851 3.443 -0.478 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.932 4.848 -0.897 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.104 2.583 0.322 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.191 3.993 -0.104 1.00 0.00 C ATOM 368 CH2 TRP A 24 10.778 2.872 0.499 1.00 0.00 C ATOM 0 HA TRP A 24 12.257 5.452 -4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 24 14.105 7.080 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.365 7.051 -2.296 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.429 4.691 -2.057 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.844 2.691 -0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.471 5.711 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.555 1.718 0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.141 4.192 0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.172 2.224 1.115 1.00 0.00 H new ATOM 379 N THR A 25 11.317 7.643 -5.055 1.00 0.00 N ATOM 380 CA THR A 25 10.788 8.822 -5.729 1.00 0.00 C ATOM 381 C THR A 25 9.406 9.184 -5.197 1.00 0.00 C ATOM 382 O THR A 25 8.582 8.309 -4.937 1.00 0.00 O ATOM 383 CB THR A 25 10.700 8.606 -7.251 1.00 0.00 C ATOM 384 OG1 THR A 25 10.206 9.791 -7.886 1.00 0.00 O ATOM 385 CG2 THR A 25 9.791 7.432 -7.580 1.00 0.00 C ATOM 0 H THR A 25 10.607 6.977 -4.751 1.00 0.00 H new ATOM 0 HA THR A 25 11.479 9.640 -5.525 1.00 0.00 H new ATOM 0 HB THR A 25 11.701 8.385 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.155 9.646 -8.854 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.745 7.299 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.186 6.526 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.790 7.628 -7.195 1.00 0.00 H new ATOM 393 N GLU A 26 9.160 10.481 -5.040 1.00 0.00 N ATOM 394 CA GLU A 26 7.876 10.959 -4.539 1.00 0.00 C ATOM 395 C GLU A 26 6.768 10.709 -5.558 1.00 0.00 C ATOM 396 O GLU A 26 7.013 10.684 -6.764 1.00 0.00 O ATOM 397 CB GLU A 26 7.955 12.451 -4.210 1.00 0.00 C ATOM 398 CG GLU A 26 6.986 12.887 -3.124 1.00 0.00 C ATOM 399 CD GLU A 26 7.576 12.767 -1.732 1.00 0.00 C ATOM 400 OE1 GLU A 26 8.770 13.093 -1.564 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.844 12.347 -0.812 1.00 0.00 O ATOM 0 H GLU A 26 9.832 11.219 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 26 7.641 10.406 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.971 12.692 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.756 13.025 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.689 13.921 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.082 12.281 -3.185 1.00 0.00 H new ATOM 408 N ARG A 27 5.548 10.525 -5.063 1.00 0.00 N ATOM 409 CA ARG A 27 4.402 10.275 -5.930 1.00 0.00 C ATOM 410 C ARG A 27 3.095 10.409 -5.154 1.00 0.00 C ATOM 411 O ARG A 27 3.026 10.072 -3.972 1.00 0.00 O ATOM 412 CB ARG A 27 4.499 8.881 -6.551 1.00 0.00 C ATOM 413 CG ARG A 27 5.230 8.857 -7.883 1.00 0.00 C ATOM 414 CD ARG A 27 4.791 7.678 -8.738 1.00 0.00 C ATOM 415 NE ARG A 27 5.476 6.444 -8.362 1.00 0.00 N ATOM 416 CZ ARG A 27 6.691 6.119 -8.789 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.352 6.932 -9.602 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.249 4.978 -8.402 1.00 0.00 N ATOM 0 H ARG A 27 5.328 10.544 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 27 4.410 11.020 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.010 8.217 -5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.494 8.484 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.042 9.787 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.305 8.801 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.714 7.540 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.989 7.897 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 27 4.995 5.797 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.927 7.810 -9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.285 6.679 -9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.745 4.350 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.182 4.729 -8.731 1.00 0.00 H new ATOM 432 N TRP A 28 2.062 10.902 -5.827 1.00 0.00 N ATOM 433 CA TRP A 28 0.757 11.080 -5.200 1.00 0.00 C ATOM 434 C TRP A 28 0.071 9.736 -4.979 1.00 0.00 C ATOM 435 O TRP A 28 0.011 8.902 -5.883 1.00 0.00 O ATOM 436 CB TRP A 28 -0.127 11.982 -6.063 1.00 0.00 C ATOM 437 CG TRP A 28 -1.346 12.480 -5.347 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.643 12.141 -5.604 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.380 13.409 -4.258 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.482 12.803 -4.740 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.732 13.587 -3.904 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.400 14.107 -3.547 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -3.125 14.433 -2.871 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.792 14.947 -2.522 1.00 0.00 C ATOM 445 CH2 TRP A 28 -2.145 15.104 -2.192 1.00 0.00 C ATOM 0 H TRP A 28 2.102 11.185 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 28 0.909 11.553 -4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.460 12.835 -6.403 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.436 11.433 -6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.963 11.454 -6.373 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.499 12.723 -4.724 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.645 13.992 -3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.167 14.555 -2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.043 15.492 -1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.419 15.768 -1.386 1.00 0.00 H new ATOM 456 N PHE A 29 -0.446 9.532 -3.772 1.00 0.00 N ATOM 457 CA PHE A 29 -1.128 8.288 -3.433 1.00 0.00 C ATOM 458 C PHE A 29 -2.589 8.548 -3.080 1.00 0.00 C ATOM 459 O PHE A 29 -2.914 9.530 -2.412 1.00 0.00 O ATOM 460 CB PHE A 29 -0.424 7.600 -2.262 1.00 0.00 C ATOM 461 CG PHE A 29 0.660 6.651 -2.688 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.919 7.122 -3.023 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.419 5.288 -2.755 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.919 6.251 -3.415 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.414 4.413 -3.147 1.00 0.00 C ATOM 466 CZ PHE A 29 2.665 4.895 -3.478 1.00 0.00 C ATOM 0 H PHE A 29 -0.406 10.212 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.094 7.634 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.005 8.360 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.162 7.055 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.122 8.182 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.558 4.905 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.897 6.631 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.213 3.353 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.444 4.213 -3.786 1.00 0.00 H new ATOM 476 N VAL A 30 -3.468 7.661 -3.535 1.00 0.00 N ATOM 477 CA VAL A 30 -4.896 7.792 -3.269 1.00 0.00 C ATOM 478 C VAL A 30 -5.450 6.534 -2.610 1.00 0.00 C ATOM 479 O VAL A 30 -5.890 5.606 -3.290 1.00 0.00 O ATOM 480 CB VAL A 30 -5.685 8.071 -4.562 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.163 8.256 -4.255 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.123 9.292 -5.275 1.00 0.00 C ATOM 0 H VAL A 30 -3.216 6.843 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.015 8.637 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.581 7.212 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.705 8.452 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.554 7.351 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.291 9.098 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.692 9.475 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.196 10.161 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.078 9.116 -5.529 1.00 0.00 H new ATOM 492 N LEU A 31 -5.426 6.509 -1.282 1.00 0.00 N ATOM 493 CA LEU A 31 -5.926 5.364 -0.529 1.00 0.00 C ATOM 494 C LEU A 31 -7.447 5.279 -0.614 1.00 0.00 C ATOM 495 O LEU A 31 -8.159 6.062 0.016 1.00 0.00 O ATOM 496 CB LEU A 31 -5.490 5.460 0.934 1.00 0.00 C ATOM 497 CG LEU A 31 -6.329 4.668 1.938 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.069 3.177 1.792 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.033 5.126 3.359 1.00 0.00 C ATOM 0 H LEU A 31 -5.066 7.269 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.505 4.460 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.457 5.121 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.503 6.510 1.228 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.382 4.855 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.675 2.630 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.332 2.859 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.014 2.972 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.639 4.552 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.977 4.970 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.271 6.185 3.457 1.00 0.00 H new ATOM 511 N LYS A 32 -7.939 4.323 -1.394 1.00 0.00 N ATOM 512 CA LYS A 32 -9.375 4.133 -1.559 1.00 0.00 C ATOM 513 C LYS A 32 -9.914 3.143 -0.532 1.00 0.00 C ATOM 514 O LYS A 32 -9.163 2.415 0.118 1.00 0.00 O ATOM 515 CB LYS A 32 -9.685 3.637 -2.973 1.00 0.00 C ATOM 516 CG LYS A 32 -10.113 4.740 -3.925 1.00 0.00 C ATOM 517 CD LYS A 32 -8.949 5.230 -4.770 1.00 0.00 C ATOM 518 CE LYS A 32 -9.383 6.317 -5.741 1.00 0.00 C ATOM 519 NZ LYS A 32 -8.460 6.423 -6.904 1.00 0.00 N ATOM 0 H LYS A 32 -7.364 3.667 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.864 5.094 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.802 3.142 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.474 2.887 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.907 4.373 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.527 5.573 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.163 5.614 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.524 4.394 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.392 6.105 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.423 7.274 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.790 7.175 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.502 6.650 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.441 5.518 -7.416 1.00 0.00 H new ATOM 533 N PRO A 33 -11.247 3.112 -0.381 1.00 0.00 N ATOM 534 CA PRO A 33 -11.916 2.214 0.565 1.00 0.00 C ATOM 535 C PRO A 33 -11.832 0.753 0.135 1.00 0.00 C ATOM 536 O PRO A 33 -11.899 -0.153 0.965 1.00 0.00 O ATOM 537 CB PRO A 33 -13.368 2.695 0.544 1.00 0.00 C ATOM 538 CG PRO A 33 -13.535 3.340 -0.788 1.00 0.00 C ATOM 539 CD PRO A 33 -12.203 3.952 -1.122 1.00 0.00 C ATOM 0 HA PRO A 33 -11.456 2.246 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.062 1.864 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.563 3.400 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.828 2.609 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.317 4.099 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.009 3.932 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.150 4.994 -0.808 1.00 0.00 H new ATOM 547 N ASN A 34 -11.686 0.532 -1.168 1.00 0.00 N ATOM 548 CA ASN A 34 -11.594 -0.820 -1.708 1.00 0.00 C ATOM 549 C ASN A 34 -10.463 -0.922 -2.726 1.00 0.00 C ATOM 550 O ASN A 34 -10.489 -1.775 -3.614 1.00 0.00 O ATOM 551 CB ASN A 34 -12.919 -1.223 -2.358 1.00 0.00 C ATOM 552 CG ASN A 34 -14.041 -1.362 -1.347 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.893 -0.988 -0.184 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.170 -1.904 -1.788 1.00 0.00 N ATOM 0 H ASN A 34 -11.629 1.271 -1.869 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.380 -1.501 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.196 -0.478 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.789 -2.168 -2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.960 -2.025 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.248 -2.200 -2.761 1.00 0.00 H new ATOM 561 N ILE A 35 -9.471 -0.049 -2.590 1.00 0.00 N ATOM 562 CA ILE A 35 -8.330 -0.043 -3.497 1.00 0.00 C ATOM 563 C ILE A 35 -7.329 1.042 -3.114 1.00 0.00 C ATOM 564 O ILE A 35 -7.584 1.847 -2.218 1.00 0.00 O ATOM 565 CB ILE A 35 -8.772 0.174 -4.957 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.710 -0.363 -5.919 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.032 1.650 -5.217 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.278 -0.856 -7.231 1.00 0.00 C ATOM 0 H ILE A 35 -9.434 0.663 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.854 -1.020 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.699 -0.374 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.982 0.423 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.173 -1.179 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.343 1.788 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.819 2.004 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.120 2.218 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.469 -1.222 -7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.984 -1.664 -7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.791 -0.037 -7.736 1.00 0.00 H new ATOM 580 N ILE A 36 -6.191 1.059 -3.800 1.00 0.00 N ATOM 581 CA ILE A 36 -5.154 2.048 -3.534 1.00 0.00 C ATOM 582 C ILE A 36 -4.367 2.373 -4.799 1.00 0.00 C ATOM 583 O ILE A 36 -3.538 1.581 -5.248 1.00 0.00 O ATOM 584 CB ILE A 36 -4.178 1.560 -2.447 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.942 1.188 -1.174 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.136 2.629 -2.152 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.042 0.823 -0.014 1.00 0.00 C ATOM 0 H ILE A 36 -5.964 0.399 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.658 2.948 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.665 0.671 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.575 2.026 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.603 0.348 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.454 2.269 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.575 2.850 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.632 3.534 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.651 0.571 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.427 -0.034 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.399 1.669 0.228 1.00 0.00 H new ATOM 599 N SER A 37 -4.630 3.545 -5.368 1.00 0.00 N ATOM 600 CA SER A 37 -3.948 3.975 -6.583 1.00 0.00 C ATOM 601 C SER A 37 -2.884 5.021 -6.267 1.00 0.00 C ATOM 602 O SER A 37 -2.811 5.530 -5.148 1.00 0.00 O ATOM 603 CB SER A 37 -4.956 4.542 -7.586 1.00 0.00 C ATOM 604 OG SER A 37 -5.154 5.930 -7.379 1.00 0.00 O ATOM 0 H SER A 37 -5.310 4.214 -5.007 1.00 0.00 H new ATOM 0 HA SER A 37 -3.459 3.106 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.600 4.370 -8.602 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.906 4.017 -7.488 1.00 0.00 H new ATOM 0 HG SER A 37 -4.946 6.417 -8.204 1.00 0.00 H new ATOM 610 N TYR A 38 -2.061 5.338 -7.261 1.00 0.00 N ATOM 611 CA TYR A 38 -0.999 6.321 -7.089 1.00 0.00 C ATOM 612 C TYR A 38 -0.730 7.066 -8.394 1.00 0.00 C ATOM 613 O TYR A 38 -0.470 6.453 -9.429 1.00 0.00 O ATOM 614 CB TYR A 38 0.282 5.640 -6.605 1.00 0.00 C ATOM 615 CG TYR A 38 0.616 4.372 -7.357 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.084 3.195 -7.119 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.630 4.350 -8.307 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.217 2.034 -7.804 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.937 3.194 -8.998 1.00 0.00 C ATOM 620 CZ TYR A 38 1.229 2.038 -8.742 1.00 0.00 C ATOM 621 OH TYR A 38 1.531 0.884 -9.427 1.00 0.00 O ATOM 0 H TYR A 38 -2.109 4.928 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.324 7.042 -6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.113 6.339 -6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.181 5.408 -5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.877 3.188 -6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.188 5.253 -8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.337 1.128 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.727 3.195 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 38 2.267 1.057 -10.051 1.00 0.00 H new ATOM 631 N TYR A 39 -0.794 8.391 -8.334 1.00 0.00 N ATOM 632 CA TYR A 39 -0.560 9.222 -9.510 1.00 0.00 C ATOM 633 C TYR A 39 0.741 10.006 -9.372 1.00 0.00 C ATOM 634 O TYR A 39 1.022 10.587 -8.324 1.00 0.00 O ATOM 635 CB TYR A 39 -1.730 10.185 -9.721 1.00 0.00 C ATOM 636 CG TYR A 39 -3.079 9.502 -9.749 1.00 0.00 C ATOM 637 CD1 TYR A 39 -3.744 9.186 -8.571 1.00 0.00 C ATOM 638 CD2 TYR A 39 -3.688 9.173 -10.954 1.00 0.00 C ATOM 639 CE1 TYR A 39 -4.976 8.562 -8.592 1.00 0.00 C ATOM 640 CE2 TYR A 39 -4.920 8.550 -10.984 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.560 8.247 -9.800 1.00 0.00 C ATOM 642 OH TYR A 39 -6.788 7.625 -9.826 1.00 0.00 O ATOM 0 H TYR A 39 -1.006 8.913 -7.484 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.478 8.566 -10.377 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.725 10.929 -8.925 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.584 10.721 -10.659 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.290 9.432 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.189 9.409 -11.883 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.479 8.322 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.380 8.301 -11.929 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.059 7.474 -10.756 1.00 0.00 H new ATOM 652 N VAL A 40 1.532 10.019 -10.441 1.00 0.00 N ATOM 653 CA VAL A 40 2.803 10.733 -10.442 1.00 0.00 C ATOM 654 C VAL A 40 2.642 12.143 -9.885 1.00 0.00 C ATOM 655 O VAL A 40 3.615 12.772 -9.469 1.00 0.00 O ATOM 656 CB VAL A 40 3.398 10.818 -11.860 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.470 9.436 -12.493 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.582 11.767 -12.724 1.00 0.00 C ATOM 0 H VAL A 40 1.315 9.543 -11.317 1.00 0.00 H new ATOM 0 HA VAL A 40 3.483 10.169 -9.804 1.00 0.00 H new ATOM 0 HB VAL A 40 4.412 11.211 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.893 9.516 -13.494 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.101 8.789 -11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.468 9.012 -12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.017 11.815 -13.722 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.556 11.406 -12.792 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.588 12.761 -12.278 1.00 0.00 H new ATOM 668 N SER A 41 1.407 12.634 -9.880 1.00 0.00 N ATOM 669 CA SER A 41 1.118 13.972 -9.377 1.00 0.00 C ATOM 670 C SER A 41 -0.190 13.986 -8.592 1.00 0.00 C ATOM 671 O SER A 41 -0.921 12.997 -8.566 1.00 0.00 O ATOM 672 CB SER A 41 1.043 14.969 -10.534 1.00 0.00 C ATOM 673 OG SER A 41 1.190 16.300 -10.070 1.00 0.00 O ATOM 0 H SER A 41 0.590 12.125 -10.219 1.00 0.00 H new ATOM 0 HA SER A 41 1.926 14.265 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.823 14.746 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.088 14.863 -11.048 1.00 0.00 H new ATOM 0 HG SER A 41 1.140 16.918 -10.829 1.00 0.00 H new ATOM 679 N GLU A 42 -0.478 15.116 -7.954 1.00 0.00 N ATOM 680 CA GLU A 42 -1.698 15.260 -7.168 1.00 0.00 C ATOM 681 C GLU A 42 -2.840 15.792 -8.028 1.00 0.00 C ATOM 682 O GLU A 42 -3.757 16.442 -7.527 1.00 0.00 O ATOM 683 CB GLU A 42 -1.459 16.196 -5.981 1.00 0.00 C ATOM 684 CG GLU A 42 -1.440 17.667 -6.361 1.00 0.00 C ATOM 685 CD GLU A 42 -0.839 18.542 -5.278 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.969 18.187 -4.088 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.237 19.581 -5.622 1.00 0.00 O ATOM 0 H GLU A 42 0.117 15.945 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.977 14.275 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.238 16.032 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.510 15.938 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.871 17.793 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.458 17.998 -6.567 1.00 0.00 H new ATOM 694 N ASP A 43 -2.776 15.512 -9.325 1.00 0.00 N ATOM 695 CA ASP A 43 -3.805 15.962 -10.256 1.00 0.00 C ATOM 696 C ASP A 43 -4.721 14.808 -10.651 1.00 0.00 C ATOM 697 O ASP A 43 -5.778 15.018 -11.250 1.00 0.00 O ATOM 698 CB ASP A 43 -3.162 16.570 -11.504 1.00 0.00 C ATOM 699 CG ASP A 43 -2.416 17.855 -11.203 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.953 18.690 -10.445 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.295 18.026 -11.726 1.00 0.00 O ATOM 0 H ASP A 43 -2.023 14.976 -9.756 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.404 16.724 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.474 15.848 -11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.934 16.767 -12.248 1.00 0.00 H new ATOM 706 N LEU A 44 -4.311 13.591 -10.315 1.00 0.00 N ATOM 707 CA LEU A 44 -5.095 12.403 -10.635 1.00 0.00 C ATOM 708 C LEU A 44 -5.333 12.297 -12.138 1.00 0.00 C ATOM 709 O LEU A 44 -6.408 11.890 -12.580 1.00 0.00 O ATOM 710 CB LEU A 44 -6.433 12.436 -9.896 1.00 0.00 C ATOM 711 CG LEU A 44 -6.387 12.916 -8.444 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.794 13.097 -7.897 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.600 11.937 -7.585 1.00 0.00 C ATOM 0 H LEU A 44 -3.439 13.400 -9.821 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.531 11.528 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.115 13.081 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.859 11.433 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.882 13.882 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.741 13.439 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.325 13.836 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.325 12.146 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.577 12.293 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.077 10.958 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.581 11.858 -7.964 1.00 0.00 H new ATOM 725 N LYS A 45 -4.324 12.665 -12.919 1.00 0.00 N ATOM 726 CA LYS A 45 -4.421 12.609 -14.373 1.00 0.00 C ATOM 727 C LYS A 45 -3.523 11.512 -14.936 1.00 0.00 C ATOM 728 O LYS A 45 -3.909 10.793 -15.858 1.00 0.00 O ATOM 729 CB LYS A 45 -4.038 13.959 -14.983 1.00 0.00 C ATOM 730 CG LYS A 45 -4.871 15.119 -14.465 1.00 0.00 C ATOM 731 CD LYS A 45 -6.110 15.340 -15.317 1.00 0.00 C ATOM 732 CE LYS A 45 -5.780 16.102 -16.592 1.00 0.00 C ATOM 733 NZ LYS A 45 -7.009 16.558 -17.299 1.00 0.00 N ATOM 0 H LYS A 45 -3.428 13.006 -12.569 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.454 12.379 -14.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.986 14.157 -14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.144 13.902 -16.066 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.167 14.924 -13.434 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.267 16.027 -14.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.555 14.378 -15.571 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.854 15.893 -14.743 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.159 16.965 -16.349 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.195 15.465 -17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.742 17.073 -18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.589 15.733 -17.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.555 17.187 -16.676 1.00 0.00 H new ATOM 747 N ASP A 46 -2.325 11.389 -14.376 1.00 0.00 N ATOM 748 CA ASP A 46 -1.373 10.377 -14.821 1.00 0.00 C ATOM 749 C ASP A 46 -1.288 9.232 -13.817 1.00 0.00 C ATOM 750 O ASP A 46 -0.491 9.270 -12.880 1.00 0.00 O ATOM 751 CB ASP A 46 0.010 11.000 -15.020 1.00 0.00 C ATOM 752 CG ASP A 46 0.200 11.552 -16.419 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.199 10.869 -17.386 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.748 12.667 -16.548 1.00 0.00 O ATOM 0 H ASP A 46 -1.990 11.977 -13.613 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.724 9.977 -15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.153 11.801 -14.294 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.775 10.250 -14.821 1.00 0.00 H new ATOM 759 N LYS A 47 -2.117 8.213 -14.019 1.00 0.00 N ATOM 760 CA LYS A 47 -2.137 7.055 -13.133 1.00 0.00 C ATOM 761 C LYS A 47 -1.027 6.074 -13.495 1.00 0.00 C ATOM 762 O LYS A 47 -0.735 5.857 -14.671 1.00 0.00 O ATOM 763 CB LYS A 47 -3.496 6.355 -13.206 1.00 0.00 C ATOM 764 CG LYS A 47 -3.773 5.440 -12.026 1.00 0.00 C ATOM 765 CD LYS A 47 -4.658 4.270 -12.422 1.00 0.00 C ATOM 766 CE LYS A 47 -6.132 4.602 -12.246 1.00 0.00 C ATOM 767 NZ LYS A 47 -6.602 4.324 -10.861 1.00 0.00 N ATOM 0 H LYS A 47 -2.784 8.166 -14.789 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.970 7.405 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.281 7.109 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.546 5.773 -14.126 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.831 5.065 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.254 6.008 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.466 4.002 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.405 3.400 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.298 5.653 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.722 4.020 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.611 4.563 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.467 3.316 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.056 4.899 -10.187 1.00 0.00 H new ATOM 781 N LYS A 48 -0.412 5.481 -12.477 1.00 0.00 N ATOM 782 CA LYS A 48 0.664 4.520 -12.686 1.00 0.00 C ATOM 783 C LYS A 48 0.166 3.093 -12.484 1.00 0.00 C ATOM 784 O LYS A 48 0.809 2.134 -12.909 1.00 0.00 O ATOM 785 CB LYS A 48 1.824 4.807 -11.731 1.00 0.00 C ATOM 786 CG LYS A 48 2.434 6.186 -11.911 1.00 0.00 C ATOM 787 CD LYS A 48 3.289 6.258 -13.165 1.00 0.00 C ATOM 788 CE LYS A 48 4.717 5.810 -12.893 1.00 0.00 C ATOM 789 NZ LYS A 48 5.631 6.157 -14.016 1.00 0.00 N ATOM 0 H LYS A 48 -0.641 5.650 -11.498 1.00 0.00 H new ATOM 0 HA LYS A 48 1.014 4.622 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.472 4.706 -10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.599 4.054 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.641 6.931 -11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.042 6.432 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.851 5.630 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.293 7.279 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.075 6.277 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.735 4.732 -12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.594 5.835 -13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.304 5.691 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.634 7.188 -14.155 1.00 0.00 H new ATOM 803 N GLY A 49 -0.987 2.959 -11.834 1.00 0.00 N ATOM 804 CA GLY A 49 -1.552 1.645 -11.589 1.00 0.00 C ATOM 805 C GLY A 49 -2.579 1.655 -10.475 1.00 0.00 C ATOM 806 O GLY A 49 -3.057 2.715 -10.070 1.00 0.00 O ATOM 0 H GLY A 49 -1.539 3.737 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.016 1.276 -12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.752 0.950 -11.335 1.00 0.00 H new ATOM 810 N ASP A 50 -2.922 0.471 -9.978 1.00 0.00 N ATOM 811 CA ASP A 50 -3.901 0.347 -8.904 1.00 0.00 C ATOM 812 C ASP A 50 -3.647 -0.911 -8.080 1.00 0.00 C ATOM 813 O ASP A 50 -3.314 -1.965 -8.625 1.00 0.00 O ATOM 814 CB ASP A 50 -5.319 0.319 -9.477 1.00 0.00 C ATOM 815 CG ASP A 50 -5.493 -0.751 -10.537 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.076 -0.518 -11.691 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.047 -1.822 -10.211 1.00 0.00 O ATOM 0 H ASP A 50 -2.537 -0.416 -10.302 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.799 1.214 -8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.031 0.146 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.554 1.293 -9.906 1.00 0.00 H new ATOM 822 N ILE A 51 -3.805 -0.794 -6.766 1.00 0.00 N ATOM 823 CA ILE A 51 -3.593 -1.923 -5.868 1.00 0.00 C ATOM 824 C ILE A 51 -4.919 -2.474 -5.356 1.00 0.00 C ATOM 825 O ILE A 51 -5.461 -1.993 -4.360 1.00 0.00 O ATOM 826 CB ILE A 51 -2.715 -1.528 -4.666 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.416 -0.877 -5.146 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.417 -2.746 -3.805 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.841 0.120 -4.165 1.00 0.00 C ATOM 0 H ILE A 51 -4.079 0.071 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.081 -2.694 -6.444 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.259 -0.803 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.677 -1.656 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.600 -0.375 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.796 -2.451 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.352 -3.170 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.890 -3.492 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.079 0.541 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.562 0.919 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.625 -0.381 -3.222 1.00 0.00 H new ATOM 841 N LEU A 52 -5.436 -3.487 -6.042 1.00 0.00 N ATOM 842 CA LEU A 52 -6.699 -4.107 -5.656 1.00 0.00 C ATOM 843 C LEU A 52 -6.652 -4.583 -4.207 1.00 0.00 C ATOM 844 O LEU A 52 -6.014 -5.589 -3.893 1.00 0.00 O ATOM 845 CB LEU A 52 -7.017 -5.284 -6.581 1.00 0.00 C ATOM 846 CG LEU A 52 -6.912 -5.005 -8.080 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.909 -6.307 -8.866 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.052 -4.107 -8.537 1.00 0.00 C ATOM 0 H LEU A 52 -5.000 -3.897 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.485 -3.358 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.343 -6.105 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.029 -5.627 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.971 -4.488 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.834 -6.089 -9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.058 -6.915 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.833 -6.851 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.961 -3.919 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.005 -4.597 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.009 -3.161 -7.998 1.00 0.00 H new ATOM 860 N LEU A 53 -7.332 -3.855 -3.328 1.00 0.00 N ATOM 861 CA LEU A 53 -7.370 -4.204 -1.912 1.00 0.00 C ATOM 862 C LEU A 53 -8.209 -5.457 -1.682 1.00 0.00 C ATOM 863 O LEU A 53 -9.184 -5.702 -2.392 1.00 0.00 O ATOM 864 CB LEU A 53 -7.935 -3.041 -1.095 1.00 0.00 C ATOM 865 CG LEU A 53 -6.924 -1.986 -0.641 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.605 -0.927 0.212 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.782 -2.637 0.124 1.00 0.00 C ATOM 0 H LEU A 53 -7.864 -3.020 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.350 -4.407 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.704 -2.547 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.426 -3.449 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.512 -1.500 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.871 -0.185 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.388 -0.440 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.045 -1.396 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.072 -1.872 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.177 -3.149 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.277 -3.357 -0.520 1.00 0.00 H new ATOM 879 N ASP A 54 -7.824 -6.245 -0.684 1.00 0.00 N ATOM 880 CA ASP A 54 -8.543 -7.471 -0.358 1.00 0.00 C ATOM 881 C ASP A 54 -7.985 -8.106 0.912 1.00 0.00 C ATOM 882 O ASP A 54 -6.795 -7.988 1.205 1.00 0.00 O ATOM 883 CB ASP A 54 -8.457 -8.462 -1.519 1.00 0.00 C ATOM 884 CG ASP A 54 -9.226 -9.741 -1.247 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.432 -9.786 -1.566 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.621 -10.695 -0.714 1.00 0.00 O ATOM 0 H ASP A 54 -7.019 -6.057 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.589 -7.215 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.846 -7.993 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.411 -8.704 -1.710 1.00 0.00 H new ATOM 891 N GLU A 55 -8.852 -8.779 1.662 1.00 0.00 N ATOM 892 CA GLU A 55 -8.445 -9.431 2.901 1.00 0.00 C ATOM 893 C GLU A 55 -7.022 -9.971 2.790 1.00 0.00 C ATOM 894 O GLU A 55 -6.239 -9.886 3.735 1.00 0.00 O ATOM 895 CB GLU A 55 -9.409 -10.569 3.245 1.00 0.00 C ATOM 896 CG GLU A 55 -9.280 -11.774 2.329 1.00 0.00 C ATOM 897 CD GLU A 55 -8.241 -12.766 2.813 1.00 0.00 C ATOM 898 OE1 GLU A 55 -8.474 -13.407 3.860 1.00 0.00 O ATOM 899 OE2 GLU A 55 -7.195 -12.903 2.145 1.00 0.00 O ATOM 0 H GLU A 55 -9.840 -8.887 1.433 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.472 -8.688 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.233 -10.885 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.432 -10.195 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.246 -12.273 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.016 -11.437 1.327 1.00 0.00 H new ATOM 906 N ASN A 56 -6.696 -10.527 1.628 1.00 0.00 N ATOM 907 CA ASN A 56 -5.368 -11.082 1.392 1.00 0.00 C ATOM 908 C ASN A 56 -4.290 -10.024 1.607 1.00 0.00 C ATOM 909 O ASN A 56 -3.358 -10.222 2.387 1.00 0.00 O ATOM 910 CB ASN A 56 -5.272 -11.643 -0.028 1.00 0.00 C ATOM 911 CG ASN A 56 -5.676 -13.103 -0.102 1.00 0.00 C ATOM 912 OD1 ASN A 56 -6.971 -13.351 -0.253 1.00 0.00 O flip ATOM 913 ND2 ASN A 56 -4.832 -13.996 -0.024 1.00 0.00 N flip ATOM 0 H ASN A 56 -7.333 -10.605 0.835 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.207 -11.890 2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.910 -11.058 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.250 -11.533 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.847 -13.758 0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.118 -14.974 -0.075 1.00 0.00 H new ATOM 920 N CYS A 57 -4.424 -8.900 0.911 1.00 0.00 N ATOM 921 CA CYS A 57 -3.463 -7.810 1.025 1.00 0.00 C ATOM 922 C CYS A 57 -3.397 -7.291 2.459 1.00 0.00 C ATOM 923 O CYS A 57 -4.353 -7.426 3.223 1.00 0.00 O ATOM 924 CB CYS A 57 -3.837 -6.671 0.075 1.00 0.00 C ATOM 925 SG CYS A 57 -3.671 -7.090 -1.690 1.00 0.00 S ATOM 0 H CYS A 57 -5.190 -8.720 0.262 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.481 -8.195 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.867 -6.372 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.207 -5.808 0.293 1.00 0.00 H new ATOM 930 N CYS A 58 -2.264 -6.697 2.815 1.00 0.00 N ATOM 931 CA CYS A 58 -2.072 -6.158 4.157 1.00 0.00 C ATOM 932 C CYS A 58 -0.847 -5.250 4.208 1.00 0.00 C ATOM 933 O CYS A 58 0.058 -5.364 3.381 1.00 0.00 O ATOM 934 CB CYS A 58 -1.922 -7.294 5.169 1.00 0.00 C ATOM 935 SG CYS A 58 -0.357 -8.191 5.046 1.00 0.00 S ATOM 0 H CYS A 58 -1.464 -6.576 2.194 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.951 -5.567 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.016 -6.885 6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.743 -7.998 5.033 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.323 -9.130 5.944 1.00 0.00 H new ATOM 941 N VAL A 59 -0.827 -4.347 5.183 1.00 0.00 N ATOM 942 CA VAL A 59 0.286 -3.419 5.342 1.00 0.00 C ATOM 943 C VAL A 59 1.193 -3.839 6.494 1.00 0.00 C ATOM 944 O VAL A 59 0.732 -4.411 7.481 1.00 0.00 O ATOM 945 CB VAL A 59 -0.212 -1.983 5.594 1.00 0.00 C ATOM 946 CG1 VAL A 59 -1.100 -1.934 6.828 1.00 0.00 C ATOM 947 CG2 VAL A 59 0.964 -1.028 5.735 1.00 0.00 C ATOM 0 H VAL A 59 -1.569 -4.238 5.875 1.00 0.00 H new ATOM 0 HA VAL A 59 0.852 -3.442 4.411 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.806 -1.668 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.442 -0.912 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.961 -2.586 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.534 -2.269 7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.594 -0.018 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.587 -1.339 6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.556 -1.042 4.820 1.00 0.00 H new ATOM 957 N GLU A 60 2.483 -3.551 6.359 1.00 0.00 N ATOM 958 CA GLU A 60 3.455 -3.901 7.389 1.00 0.00 C ATOM 959 C GLU A 60 4.436 -2.755 7.622 1.00 0.00 C ATOM 960 O GLU A 60 4.739 -1.988 6.709 1.00 0.00 O ATOM 961 CB GLU A 60 4.217 -5.167 6.994 1.00 0.00 C ATOM 962 CG GLU A 60 3.315 -6.312 6.565 1.00 0.00 C ATOM 963 CD GLU A 60 3.991 -7.664 6.683 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.204 -7.746 6.400 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.307 -8.639 7.059 1.00 0.00 O ATOM 0 H GLU A 60 2.880 -3.077 5.548 1.00 0.00 H new ATOM 0 HA GLU A 60 2.913 -4.087 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.901 -4.930 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.826 -5.492 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.412 -6.307 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.002 -6.156 5.533 1.00 0.00 H new ATOM 972 N SER A 61 4.928 -2.647 8.852 1.00 0.00 N ATOM 973 CA SER A 61 5.872 -1.594 9.208 1.00 0.00 C ATOM 974 C SER A 61 7.307 -2.108 9.151 1.00 0.00 C ATOM 975 O SER A 61 7.643 -3.116 9.773 1.00 0.00 O ATOM 976 CB SER A 61 5.565 -1.057 10.608 1.00 0.00 C ATOM 977 OG SER A 61 4.477 -0.151 10.580 1.00 0.00 O ATOM 0 H SER A 61 4.689 -3.276 9.619 1.00 0.00 H new ATOM 0 HA SER A 61 5.766 -0.785 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.334 -1.887 11.276 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.447 -0.559 11.011 1.00 0.00 H new ATOM 0 HG SER A 61 4.300 0.176 11.487 1.00 0.00 H new ATOM 983 N LEU A 62 8.150 -1.407 8.400 1.00 0.00 N ATOM 984 CA LEU A 62 9.550 -1.791 8.260 1.00 0.00 C ATOM 985 C LEU A 62 10.461 -0.798 8.975 1.00 0.00 C ATOM 986 O LEU A 62 10.186 0.401 9.037 1.00 0.00 O ATOM 987 CB LEU A 62 9.931 -1.876 6.781 1.00 0.00 C ATOM 988 CG LEU A 62 9.031 -2.749 5.905 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.265 -2.449 4.433 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.273 -4.223 6.196 1.00 0.00 C ATOM 0 H LEU A 62 7.888 -0.570 7.879 1.00 0.00 H new ATOM 0 HA LEU A 62 9.680 -2.771 8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.936 -0.867 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.951 -2.255 6.710 1.00 0.00 H new ATOM 0 HG LEU A 62 7.992 -2.518 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.616 -3.080 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.041 -1.401 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.306 -2.651 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.625 -4.830 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.315 -4.469 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.053 -4.428 7.244 1.00 0.00 H new ATOM 1002 N PRO A 63 11.573 -1.306 9.527 1.00 0.00 N ATOM 1003 CA PRO A 63 12.548 -0.481 10.245 1.00 0.00 C ATOM 1004 C PRO A 63 13.318 0.450 9.313 1.00 0.00 C ATOM 1005 O PRO A 63 12.963 0.606 8.145 1.00 0.00 O ATOM 1006 CB PRO A 63 13.492 -1.511 10.871 1.00 0.00 C ATOM 1007 CG PRO A 63 13.381 -2.709 9.993 1.00 0.00 C ATOM 1008 CD PRO A 63 11.964 -2.726 9.491 1.00 0.00 C ATOM 0 HA PRO A 63 12.070 0.176 10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.516 -1.139 10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.202 -1.743 11.896 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.087 -2.652 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.610 -3.620 10.546 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.900 -3.135 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.320 -3.336 10.124 1.00 0.00 H new ATOM 1016 N ASP A 64 14.372 1.065 9.838 1.00 0.00 N ATOM 1017 CA ASP A 64 15.193 1.979 9.052 1.00 0.00 C ATOM 1018 C ASP A 64 15.960 1.226 7.969 1.00 0.00 C ATOM 1019 O ASP A 64 16.874 0.456 8.262 1.00 0.00 O ATOM 1020 CB ASP A 64 16.170 2.728 9.959 1.00 0.00 C ATOM 1021 CG ASP A 64 16.839 1.816 10.969 1.00 0.00 C ATOM 1022 OD1 ASP A 64 16.123 1.247 11.820 1.00 0.00 O ATOM 1023 OD2 ASP A 64 18.077 1.670 10.908 1.00 0.00 O ATOM 0 H ASP A 64 14.678 0.947 10.804 1.00 0.00 H new ATOM 0 HA ASP A 64 14.532 2.699 8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.933 3.209 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.638 3.520 10.486 1.00 0.00 H new ATOM 1028 N LYS A 65 15.581 1.454 6.716 1.00 0.00 N ATOM 1029 CA LYS A 65 16.232 0.799 5.588 1.00 0.00 C ATOM 1030 C LYS A 65 17.066 1.794 4.788 1.00 0.00 C ATOM 1031 O LYS A 65 16.666 2.943 4.598 1.00 0.00 O ATOM 1032 CB LYS A 65 15.188 0.146 4.679 1.00 0.00 C ATOM 1033 CG LYS A 65 15.695 -0.138 3.276 1.00 0.00 C ATOM 1034 CD LYS A 65 14.581 -0.636 2.371 1.00 0.00 C ATOM 1035 CE LYS A 65 14.138 -2.040 2.752 1.00 0.00 C ATOM 1036 NZ LYS A 65 15.037 -3.080 2.180 1.00 0.00 N ATOM 0 H LYS A 65 14.826 2.088 6.456 1.00 0.00 H new ATOM 0 HA LYS A 65 16.896 0.029 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.857 -0.788 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.316 0.796 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.129 0.769 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.490 -0.882 3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.731 0.044 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.922 -0.629 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.120 -2.133 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.120 -2.207 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.701 -4.023 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.035 -3.008 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.004 -2.936 2.535 1.00 0.00 H new ATOM 1050 N ASP A 66 18.226 1.346 4.321 1.00 0.00 N ATOM 1051 CA ASP A 66 19.115 2.196 3.538 1.00 0.00 C ATOM 1052 C ASP A 66 19.051 3.641 4.024 1.00 0.00 C ATOM 1053 O ASP A 66 18.944 4.571 3.226 1.00 0.00 O ATOM 1054 CB ASP A 66 18.748 2.127 2.055 1.00 0.00 C ATOM 1055 CG ASP A 66 19.816 2.733 1.166 1.00 0.00 C ATOM 1056 OD1 ASP A 66 20.829 2.050 0.905 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.638 3.890 0.730 1.00 0.00 O ATOM 0 H ASP A 66 18.573 0.399 4.471 1.00 0.00 H new ATOM 0 HA ASP A 66 20.134 1.832 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.590 1.087 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.805 2.649 1.892 1.00 0.00 H new ATOM 1062 N GLY A 67 19.117 3.821 5.340 1.00 0.00 N ATOM 1063 CA GLY A 67 19.064 5.155 5.910 1.00 0.00 C ATOM 1064 C GLY A 67 17.685 5.775 5.808 1.00 0.00 C ATOM 1065 O GLY A 67 17.523 6.861 5.252 1.00 0.00 O ATOM 0 H GLY A 67 19.206 3.067 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.363 5.111 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.785 5.794 5.399 1.00 0.00 H new ATOM 1069 N LYS A 68 16.686 5.082 6.344 1.00 0.00 N ATOM 1070 CA LYS A 68 15.312 5.570 6.311 1.00 0.00 C ATOM 1071 C LYS A 68 14.680 5.511 7.699 1.00 0.00 C ATOM 1072 O LYS A 68 15.278 4.994 8.643 1.00 0.00 O ATOM 1073 CB LYS A 68 14.480 4.745 5.326 1.00 0.00 C ATOM 1074 CG LYS A 68 14.761 5.073 3.870 1.00 0.00 C ATOM 1075 CD LYS A 68 14.251 6.455 3.500 1.00 0.00 C ATOM 1076 CE LYS A 68 13.870 6.535 2.030 1.00 0.00 C ATOM 1077 NZ LYS A 68 12.454 6.134 1.801 1.00 0.00 N ATOM 0 H LYS A 68 16.802 4.180 6.807 1.00 0.00 H new ATOM 0 HA LYS A 68 15.330 6.609 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.676 3.686 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.422 4.910 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.834 5.019 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.289 4.327 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.385 6.701 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.018 7.197 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.022 7.553 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.529 5.890 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.198 6.314 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.342 5.121 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.832 6.686 2.425 1.00 0.00 H new ATOM 1091 N LYS A 69 13.469 6.044 7.815 1.00 0.00 N ATOM 1092 CA LYS A 69 12.754 6.051 9.086 1.00 0.00 C ATOM 1093 C LYS A 69 11.249 5.944 8.864 1.00 0.00 C ATOM 1094 O LYS A 69 10.734 6.358 7.825 1.00 0.00 O ATOM 1095 CB LYS A 69 13.076 7.326 9.869 1.00 0.00 C ATOM 1096 CG LYS A 69 14.549 7.478 10.204 1.00 0.00 C ATOM 1097 CD LYS A 69 15.295 8.228 9.112 1.00 0.00 C ATOM 1098 CE LYS A 69 15.062 9.728 9.208 1.00 0.00 C ATOM 1099 NZ LYS A 69 16.130 10.501 8.515 1.00 0.00 N ATOM 0 H LYS A 69 12.961 6.477 7.044 1.00 0.00 H new ATOM 0 HA LYS A 69 13.081 5.186 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.753 8.190 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.499 7.330 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.655 8.010 11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.996 6.493 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.362 8.019 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.969 7.870 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.094 9.974 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.022 10.023 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.935 11.519 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.051 10.286 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.151 10.239 7.509 1.00 0.00 H new ATOM 1113 N CYS A 70 10.549 5.388 9.847 1.00 0.00 N ATOM 1114 CA CYS A 70 9.102 5.228 9.760 1.00 0.00 C ATOM 1115 C CYS A 70 8.699 4.665 8.400 1.00 0.00 C ATOM 1116 O CYS A 70 7.860 5.238 7.703 1.00 0.00 O ATOM 1117 CB CYS A 70 8.404 6.568 9.998 1.00 0.00 C ATOM 1118 SG CYS A 70 8.577 7.200 11.683 1.00 0.00 S ATOM 0 H CYS A 70 10.960 5.041 10.713 1.00 0.00 H new ATOM 0 HA CYS A 70 8.792 4.524 10.532 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.807 7.304 9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.344 6.459 9.769 1.00 0.00 H new ATOM 0 HG CYS A 70 8.346 8.479 11.693 1.00 0.00 H new ATOM 1124 N LEU A 71 9.302 3.542 8.029 1.00 0.00 N ATOM 1125 CA LEU A 71 9.007 2.901 6.751 1.00 0.00 C ATOM 1126 C LEU A 71 7.813 1.960 6.877 1.00 0.00 C ATOM 1127 O LEU A 71 7.391 1.619 7.982 1.00 0.00 O ATOM 1128 CB LEU A 71 10.229 2.130 6.251 1.00 0.00 C ATOM 1129 CG LEU A 71 11.192 2.906 5.353 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.612 2.386 5.516 1.00 0.00 C ATOM 1131 CD2 LEU A 71 10.754 2.818 3.898 1.00 0.00 C ATOM 0 H LEU A 71 9.998 3.056 8.594 1.00 0.00 H new ATOM 0 HA LEU A 71 8.757 3.680 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.784 1.767 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.882 1.253 5.705 1.00 0.00 H new ATOM 0 HG LEU A 71 11.174 3.953 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.283 2.951 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.925 2.503 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.647 1.331 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.451 3.376 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.742 1.774 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.755 3.240 3.793 1.00 0.00 H new ATOM 1143 N PHE A 72 7.274 1.542 5.736 1.00 0.00 N ATOM 1144 CA PHE A 72 6.129 0.639 5.718 1.00 0.00 C ATOM 1145 C PHE A 72 5.900 0.079 4.317 1.00 0.00 C ATOM 1146 O PHE A 72 5.941 0.812 3.329 1.00 0.00 O ATOM 1147 CB PHE A 72 4.872 1.365 6.201 1.00 0.00 C ATOM 1148 CG PHE A 72 4.323 2.342 5.201 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.456 1.921 4.205 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.673 3.681 5.256 1.00 0.00 C ATOM 1151 CE1 PHE A 72 2.949 2.818 3.283 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.169 4.582 4.338 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.307 4.150 3.349 1.00 0.00 C ATOM 0 H PHE A 72 7.612 1.814 4.813 1.00 0.00 H new ATOM 0 HA PHE A 72 6.342 -0.191 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.104 0.628 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.100 1.894 7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.173 0.880 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.348 4.025 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.274 2.477 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.449 5.624 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.914 4.852 2.629 1.00 0.00 H new ATOM 1163 N LEU A 73 5.661 -1.226 4.240 1.00 0.00 N ATOM 1164 CA LEU A 73 5.426 -1.886 2.961 1.00 0.00 C ATOM 1165 C LEU A 73 4.138 -2.703 2.998 1.00 0.00 C ATOM 1166 O LEU A 73 3.766 -3.248 4.037 1.00 0.00 O ATOM 1167 CB LEU A 73 6.607 -2.791 2.607 1.00 0.00 C ATOM 1168 CG LEU A 73 6.387 -3.759 1.444 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.705 -4.075 0.755 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.719 -5.036 1.933 1.00 0.00 C ATOM 0 H LEU A 73 5.625 -1.847 5.048 1.00 0.00 H new ATOM 0 HA LEU A 73 5.324 -1.116 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.464 -2.160 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.872 -3.371 3.491 1.00 0.00 H new ATOM 0 HG LEU A 73 5.728 -3.282 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.528 -4.765 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.144 -3.155 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.389 -4.532 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.570 -5.714 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.353 -5.516 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.754 -4.794 2.379 1.00 0.00 H new ATOM 1182 N VAL A 74 3.462 -2.784 1.856 1.00 0.00 N ATOM 1183 CA VAL A 74 2.218 -3.537 1.757 1.00 0.00 C ATOM 1184 C VAL A 74 2.407 -4.806 0.932 1.00 0.00 C ATOM 1185 O VAL A 74 2.921 -4.762 -0.186 1.00 0.00 O ATOM 1186 CB VAL A 74 1.098 -2.690 1.125 1.00 0.00 C ATOM 1187 CG1 VAL A 74 -0.110 -3.556 0.801 1.00 0.00 C ATOM 1188 CG2 VAL A 74 0.711 -1.545 2.049 1.00 0.00 C ATOM 0 H VAL A 74 3.755 -2.337 0.987 1.00 0.00 H new ATOM 0 HA VAL A 74 1.930 -3.807 2.773 1.00 0.00 H new ATOM 0 HB VAL A 74 1.470 -2.265 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.891 -2.939 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.180 -4.338 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.487 -4.012 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.082 -0.957 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.358 -1.947 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.579 -0.910 2.224 1.00 0.00 H new ATOM 1198 N LYS A 75 1.989 -5.936 1.490 1.00 0.00 N ATOM 1199 CA LYS A 75 2.110 -7.218 0.807 1.00 0.00 C ATOM 1200 C LYS A 75 0.760 -7.673 0.260 1.00 0.00 C ATOM 1201 O LYS A 75 -0.208 -7.816 1.007 1.00 0.00 O ATOM 1202 CB LYS A 75 2.667 -8.277 1.761 1.00 0.00 C ATOM 1203 CG LYS A 75 4.185 -8.321 1.801 1.00 0.00 C ATOM 1204 CD LYS A 75 4.688 -9.212 2.924 1.00 0.00 C ATOM 1205 CE LYS A 75 6.071 -8.788 3.395 1.00 0.00 C ATOM 1206 NZ LYS A 75 6.830 -9.927 3.984 1.00 0.00 N ATOM 0 H LYS A 75 1.563 -5.990 2.415 1.00 0.00 H new ATOM 0 HA LYS A 75 2.798 -7.092 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.291 -8.083 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.291 -9.256 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.564 -8.687 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.576 -7.312 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.990 -9.174 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.720 -10.247 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.630 -8.375 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.975 -7.994 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.767 -9.597 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.310 -10.305 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.944 -10.674 3.270 1.00 0.00 H new ATOM 1220 N CYS A 76 0.704 -7.899 -1.048 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.526 -8.339 -1.697 1.00 0.00 C ATOM 1222 C CYS A 76 -0.374 -9.753 -2.249 1.00 0.00 C ATOM 1223 O CYS A 76 0.700 -10.349 -2.172 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.905 -7.376 -2.824 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.981 -6.003 -2.300 1.00 0.00 S ATOM 0 H CYS A 76 1.496 -7.785 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.320 -8.344 -0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.007 -6.964 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.407 -7.936 -3.612 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.458 -10.283 -2.807 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.446 -11.627 -3.373 1.00 0.00 C ATOM 1232 C PHE A 77 -0.051 -11.997 -3.868 1.00 0.00 C ATOM 1233 O PHE A 77 0.636 -12.820 -3.262 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.451 -11.729 -4.522 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.832 -12.118 -4.079 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -4.089 -13.397 -3.611 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.874 -11.206 -4.130 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.359 -13.758 -3.202 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -6.145 -11.561 -3.722 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.388 -12.840 -3.258 1.00 0.00 C ATOM 0 H PHE A 77 -2.355 -9.803 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.731 -12.327 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.500 -10.770 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.091 -12.461 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.288 -14.120 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.690 -10.206 -4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.546 -14.758 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.948 -10.840 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.381 -13.121 -2.940 1.00 0.00 H new ATOM 1250 N ASP A 78 0.360 -11.385 -4.972 1.00 0.00 N ATOM 1251 CA ASP A 78 1.673 -11.648 -5.549 1.00 0.00 C ATOM 1252 C ASP A 78 2.460 -10.353 -5.725 1.00 0.00 C ATOM 1253 O ASP A 78 3.690 -10.351 -5.690 1.00 0.00 O ATOM 1254 CB ASP A 78 1.528 -12.358 -6.896 1.00 0.00 C ATOM 1255 CG ASP A 78 2.779 -12.247 -7.746 1.00 0.00 C ATOM 1256 OD1 ASP A 78 3.883 -12.483 -7.211 1.00 0.00 O ATOM 1257 OD2 ASP A 78 2.654 -11.926 -8.946 1.00 0.00 O ATOM 0 H ASP A 78 -0.197 -10.703 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 78 2.221 -12.294 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.300 -13.410 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.684 -11.932 -7.439 1.00 0.00 H new ATOM 1262 N LYS A 79 1.741 -9.251 -5.914 1.00 0.00 N ATOM 1263 CA LYS A 79 2.370 -7.949 -6.095 1.00 0.00 C ATOM 1264 C LYS A 79 2.691 -7.308 -4.749 1.00 0.00 C ATOM 1265 O LYS A 79 2.028 -7.578 -3.747 1.00 0.00 O ATOM 1266 CB LYS A 79 1.457 -7.027 -6.906 1.00 0.00 C ATOM 1267 CG LYS A 79 1.454 -7.329 -8.395 1.00 0.00 C ATOM 1268 CD LYS A 79 0.124 -6.967 -9.035 1.00 0.00 C ATOM 1269 CE LYS A 79 -0.955 -7.980 -8.689 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.312 -7.498 -9.069 1.00 0.00 N ATOM 0 H LYS A 79 0.722 -9.235 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 79 3.303 -8.097 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.439 -7.111 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.770 -5.994 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.256 -6.774 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.658 -8.388 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.184 -5.977 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.242 -6.915 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.747 -8.920 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.930 -8.186 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.019 -8.217 -8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.521 -6.614 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.345 -7.325 -10.094 1.00 0.00 H new ATOM 1284 N THR A 80 3.711 -6.456 -4.732 1.00 0.00 N ATOM 1285 CA THR A 80 4.120 -5.776 -3.509 1.00 0.00 C ATOM 1286 C THR A 80 4.285 -4.278 -3.742 1.00 0.00 C ATOM 1287 O THR A 80 4.455 -3.831 -4.876 1.00 0.00 O ATOM 1288 CB THR A 80 5.441 -6.348 -2.963 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.431 -6.369 -3.998 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.239 -7.754 -2.420 1.00 0.00 C ATOM 0 H THR A 80 4.270 -6.220 -5.552 1.00 0.00 H new ATOM 0 HA THR A 80 3.331 -5.942 -2.776 1.00 0.00 H new ATOM 0 HB THR A 80 5.780 -5.707 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.269 -6.733 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.186 -8.137 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.507 -7.731 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.879 -8.404 -3.218 1.00 0.00 H new ATOM 1298 N PHE A 81 4.234 -3.508 -2.660 1.00 0.00 N ATOM 1299 CA PHE A 81 4.378 -2.059 -2.747 1.00 0.00 C ATOM 1300 C PHE A 81 5.117 -1.512 -1.529 1.00 0.00 C ATOM 1301 O PHE A 81 4.687 -1.703 -0.392 1.00 0.00 O ATOM 1302 CB PHE A 81 3.005 -1.395 -2.864 1.00 0.00 C ATOM 1303 CG PHE A 81 2.368 -1.570 -4.213 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.899 -2.810 -4.617 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.237 -0.496 -5.078 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.312 -2.975 -5.857 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.651 -0.654 -6.319 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.189 -1.896 -6.710 1.00 0.00 C ATOM 0 H PHE A 81 4.094 -3.862 -1.714 1.00 0.00 H new ATOM 0 HA PHE A 81 4.962 -1.830 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.344 -1.809 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.106 -0.330 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.993 -3.658 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.597 0.477 -4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.950 -3.947 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.554 0.192 -6.983 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.733 -2.023 -7.681 1.00 0.00 H new ATOM 1318 N GLU A 82 6.232 -0.832 -1.777 1.00 0.00 N ATOM 1319 CA GLU A 82 7.032 -0.260 -0.700 1.00 0.00 C ATOM 1320 C GLU A 82 6.949 1.264 -0.713 1.00 0.00 C ATOM 1321 O GLU A 82 7.315 1.908 -1.697 1.00 0.00 O ATOM 1322 CB GLU A 82 8.491 -0.703 -0.827 1.00 0.00 C ATOM 1323 CG GLU A 82 9.248 -0.691 0.490 1.00 0.00 C ATOM 1324 CD GLU A 82 10.341 -1.740 0.544 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.327 -2.658 -0.302 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.212 -1.643 1.434 1.00 0.00 O ATOM 0 H GLU A 82 6.601 -0.664 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 82 6.632 -0.622 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.521 -1.709 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.000 -0.049 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.688 0.295 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.548 -0.858 1.309 1.00 0.00 H new ATOM 1333 N ILE A 83 6.467 1.833 0.386 1.00 0.00 N ATOM 1334 CA ILE A 83 6.336 3.281 0.502 1.00 0.00 C ATOM 1335 C ILE A 83 7.034 3.797 1.756 1.00 0.00 C ATOM 1336 O ILE A 83 7.147 3.085 2.754 1.00 0.00 O ATOM 1337 CB ILE A 83 4.858 3.712 0.537 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.104 3.120 -0.656 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.749 5.229 0.540 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.641 2.856 -0.374 1.00 0.00 C ATOM 0 H ILE A 83 6.161 1.314 1.209 1.00 0.00 H new ATOM 0 HA ILE A 83 6.811 3.712 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 83 4.405 3.333 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.185 3.802 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.583 2.187 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.698 5.518 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.256 5.628 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.214 5.629 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.169 2.437 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.551 2.150 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.147 3.791 -0.107 1.00 0.00 H new ATOM 1352 N SER A 84 7.499 5.041 1.698 1.00 0.00 N ATOM 1353 CA SER A 84 8.188 5.652 2.829 1.00 0.00 C ATOM 1354 C SER A 84 7.488 6.937 3.261 1.00 0.00 C ATOM 1355 O SER A 84 7.172 7.793 2.436 1.00 0.00 O ATOM 1356 CB SER A 84 9.644 5.950 2.465 1.00 0.00 C ATOM 1357 OG SER A 84 10.308 6.617 3.525 1.00 0.00 O ATOM 0 H SER A 84 7.411 5.645 0.881 1.00 0.00 H new ATOM 0 HA SER A 84 8.165 4.948 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.163 5.019 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.679 6.565 1.566 1.00 0.00 H new ATOM 0 HG SER A 84 10.965 6.013 3.931 1.00 0.00 H new ATOM 1363 N ALA A 85 7.248 7.063 4.562 1.00 0.00 N ATOM 1364 CA ALA A 85 6.586 8.243 5.106 1.00 0.00 C ATOM 1365 C ALA A 85 7.604 9.294 5.535 1.00 0.00 C ATOM 1366 O ALA A 85 8.770 8.980 5.779 1.00 0.00 O ATOM 1367 CB ALA A 85 5.698 7.856 6.279 1.00 0.00 C ATOM 0 H ALA A 85 7.502 6.363 5.259 1.00 0.00 H new ATOM 0 HA ALA A 85 5.965 8.675 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.210 8.746 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.941 7.146 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.305 7.397 7.059 1.00 0.00 H new ATOM 1373 N SER A 86 7.157 10.542 5.625 1.00 0.00 N ATOM 1374 CA SER A 86 8.031 11.641 6.020 1.00 0.00 C ATOM 1375 C SER A 86 8.171 11.704 7.538 1.00 0.00 C ATOM 1376 O SER A 86 9.275 11.607 8.075 1.00 0.00 O ATOM 1377 CB SER A 86 7.487 12.969 5.491 1.00 0.00 C ATOM 1378 OG SER A 86 8.405 14.024 5.719 1.00 0.00 O ATOM 0 H SER A 86 6.195 10.818 5.430 1.00 0.00 H new ATOM 0 HA SER A 86 9.016 11.463 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.285 12.883 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.539 13.197 5.978 1.00 0.00 H new ATOM 0 HG SER A 86 8.034 14.861 5.370 1.00 0.00 H new ATOM 1384 N ASP A 87 7.045 11.868 8.223 1.00 0.00 N ATOM 1385 CA ASP A 87 7.041 11.943 9.680 1.00 0.00 C ATOM 1386 C ASP A 87 6.224 10.803 10.280 1.00 0.00 C ATOM 1387 O ASP A 87 5.487 10.114 9.575 1.00 0.00 O ATOM 1388 CB ASP A 87 6.477 13.288 10.140 1.00 0.00 C ATOM 1389 CG ASP A 87 6.311 13.362 11.645 1.00 0.00 C ATOM 1390 OD1 ASP A 87 7.337 13.434 12.352 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.154 13.346 12.116 1.00 0.00 O ATOM 0 H ASP A 87 6.124 11.952 7.794 1.00 0.00 H new ATOM 0 HA ASP A 87 8.070 11.851 10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.140 14.088 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.512 13.457 9.662 1.00 0.00 H new ATOM 1396 N LYS A 88 6.362 10.608 11.588 1.00 0.00 N ATOM 1397 CA LYS A 88 5.638 9.552 12.285 1.00 0.00 C ATOM 1398 C LYS A 88 4.136 9.675 12.049 1.00 0.00 C ATOM 1399 O LYS A 88 3.420 8.675 12.003 1.00 0.00 O ATOM 1400 CB LYS A 88 5.936 9.606 13.785 1.00 0.00 C ATOM 1401 CG LYS A 88 7.416 9.524 14.115 1.00 0.00 C ATOM 1402 CD LYS A 88 7.660 9.617 15.611 1.00 0.00 C ATOM 1403 CE LYS A 88 7.433 11.030 16.126 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.822 11.169 17.557 1.00 0.00 N ATOM 0 H LYS A 88 6.969 11.168 12.186 1.00 0.00 H new ATOM 0 HA LYS A 88 5.973 8.593 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.532 10.532 14.194 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.416 8.786 14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.822 8.586 13.737 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.948 10.329 13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.996 8.928 16.133 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.681 9.307 15.834 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.009 11.733 15.523 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.382 11.295 16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.652 12.146 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.255 10.517 18.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.831 10.941 17.666 1.00 0.00 H new ATOM 1418 N LYS A 89 3.665 10.908 11.899 1.00 0.00 N ATOM 1419 CA LYS A 89 2.248 11.163 11.665 1.00 0.00 C ATOM 1420 C LYS A 89 1.762 10.432 10.418 1.00 0.00 C ATOM 1421 O LYS A 89 0.865 9.592 10.488 1.00 0.00 O ATOM 1422 CB LYS A 89 1.996 12.666 11.519 1.00 0.00 C ATOM 1423 CG LYS A 89 0.597 13.091 11.929 1.00 0.00 C ATOM 1424 CD LYS A 89 0.417 13.037 13.436 1.00 0.00 C ATOM 1425 CE LYS A 89 -0.898 13.670 13.863 1.00 0.00 C ATOM 1426 NZ LYS A 89 -0.780 15.147 14.014 1.00 0.00 N ATOM 0 H LYS A 89 4.244 11.747 11.935 1.00 0.00 H new ATOM 0 HA LYS A 89 1.691 10.789 12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.723 13.208 12.124 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.165 12.955 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.405 14.104 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.136 12.442 11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.448 12.000 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.245 13.554 13.921 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.668 13.441 13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.221 13.233 14.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.697 15.541 14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.064 15.366 14.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.496 15.567 13.106 1.00 0.00 H new ATOM 1440 N LYS A 90 2.362 10.755 9.277 1.00 0.00 N ATOM 1441 CA LYS A 90 1.993 10.127 8.014 1.00 0.00 C ATOM 1442 C LYS A 90 2.080 8.608 8.115 1.00 0.00 C ATOM 1443 O LYS A 90 1.081 7.906 7.956 1.00 0.00 O ATOM 1444 CB LYS A 90 2.901 10.627 6.888 1.00 0.00 C ATOM 1445 CG LYS A 90 2.360 11.849 6.167 1.00 0.00 C ATOM 1446 CD LYS A 90 2.302 13.058 7.086 1.00 0.00 C ATOM 1447 CE LYS A 90 2.340 14.359 6.298 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.557 14.456 5.446 1.00 0.00 N ATOM 0 H LYS A 90 3.106 11.448 9.201 1.00 0.00 H new ATOM 0 HA LYS A 90 0.962 10.400 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.881 10.864 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.046 9.824 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.991 12.074 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.363 11.634 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.391 13.019 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.140 13.028 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.451 14.430 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.312 15.202 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.816 15.456 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.342 13.949 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.365 14.031 4.516 1.00 0.00 H new ATOM 1462 N LYS A 91 3.281 8.105 8.383 1.00 0.00 N ATOM 1463 CA LYS A 91 3.499 6.669 8.509 1.00 0.00 C ATOM 1464 C LYS A 91 2.304 5.994 9.173 1.00 0.00 C ATOM 1465 O LYS A 91 1.625 5.171 8.559 1.00 0.00 O ATOM 1466 CB LYS A 91 4.768 6.395 9.319 1.00 0.00 C ATOM 1467 CG LYS A 91 5.129 4.922 9.403 1.00 0.00 C ATOM 1468 CD LYS A 91 4.428 4.241 10.566 1.00 0.00 C ATOM 1469 CE LYS A 91 5.253 3.088 11.117 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.775 2.656 12.460 1.00 0.00 N ATOM 0 H LYS A 91 4.119 8.672 8.517 1.00 0.00 H new ATOM 0 HA LYS A 91 3.618 6.255 7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.599 6.939 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.637 6.787 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.856 4.426 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.208 4.817 9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.243 4.968 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.456 3.871 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.206 2.246 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.299 3.389 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.363 1.869 12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.843 3.452 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.785 2.345 12.393 1.00 0.00 H new ATOM 1484 N GLN A 92 2.052 6.347 10.429 1.00 0.00 N ATOM 1485 CA GLN A 92 0.938 5.774 11.175 1.00 0.00 C ATOM 1486 C GLN A 92 -0.394 6.121 10.516 1.00 0.00 C ATOM 1487 O GLN A 92 -1.097 5.243 10.018 1.00 0.00 O ATOM 1488 CB GLN A 92 0.951 6.277 12.620 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.259 5.837 13.428 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.039 4.514 14.134 1.00 0.00 C ATOM 1491 OE1 GLN A 92 -0.122 3.421 13.384 1.00 0.00 O flip ATOM 1492 NE2 GLN A 92 0.202 4.473 15.341 1.00 0.00 N flip ATOM 0 H GLN A 92 2.604 7.027 10.952 1.00 0.00 H new ATOM 0 HA GLN A 92 1.053 4.690 11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.856 5.920 13.112 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.999 7.366 12.617 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.497 6.603 14.166 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.122 5.753 12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.257 5.337 15.880 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.347 3.575 15.802 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.732 7.407 10.518 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.980 7.868 9.922 1.00 0.00 C ATOM 1503 C GLU A 93 -2.297 7.086 8.651 1.00 0.00 C ATOM 1504 O GLU A 93 -3.462 6.865 8.320 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.898 9.363 9.606 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.919 10.248 10.842 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.323 10.503 11.353 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.210 10.804 10.528 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.534 10.402 12.580 1.00 0.00 O ATOM 0 H GLU A 93 -0.160 8.147 10.925 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.781 7.699 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.984 9.558 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.732 9.636 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.329 9.779 11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.442 11.200 10.610 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.253 6.670 7.943 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.420 5.912 6.708 1.00 0.00 C ATOM 1518 C TRP A 94 -1.714 4.446 7.004 1.00 0.00 C ATOM 1519 O TRP A 94 -2.802 3.950 6.710 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.166 6.029 5.841 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.213 7.177 4.879 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.345 8.412 5.048 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.855 7.197 3.599 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.088 9.199 3.951 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.646 8.477 3.048 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.585 6.259 2.865 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.141 8.838 1.798 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.077 6.620 1.625 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.852 7.900 1.101 1.00 0.00 C ATOM 0 H TRP A 94 -0.282 6.845 8.203 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.268 6.330 6.166 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.704 6.142 6.487 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.031 5.102 5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.906 8.724 5.916 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.394 10.164 3.829 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.762 5.269 3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.970 9.824 1.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.645 5.903 1.050 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.248 8.151 0.128 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.738 3.757 7.587 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.894 2.348 7.923 1.00 0.00 C ATOM 1542 C ILE A 95 -2.237 2.089 8.597 1.00 0.00 C ATOM 1543 O ILE A 95 -2.918 1.111 8.290 1.00 0.00 O ATOM 1544 CB ILE A 95 0.235 1.862 8.851 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.590 1.987 8.150 1.00 0.00 C ATOM 1546 CG2 ILE A 95 -0.014 0.424 9.281 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.706 1.251 8.857 1.00 0.00 C ATOM 0 H ILE A 95 0.169 4.152 7.836 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.847 1.793 6.986 1.00 0.00 H new ATOM 0 HB ILE A 95 0.248 2.490 9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.501 1.605 7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.854 3.042 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.793 0.095 9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.963 0.363 9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.051 -0.218 8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.636 1.383 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.823 1.649 9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.464 0.190 8.912 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.612 2.973 9.516 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.875 2.841 10.233 1.00 0.00 C ATOM 1561 C GLN A 96 -5.052 2.820 9.263 1.00 0.00 C ATOM 1562 O GLN A 96 -5.884 1.914 9.301 1.00 0.00 O ATOM 1563 CB GLN A 96 -4.042 3.987 11.231 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.272 3.783 12.526 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.813 4.625 13.665 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.380 4.102 14.624 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -3.638 5.938 13.565 1.00 0.00 N ATOM 0 H GLN A 96 -2.059 3.788 9.782 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.858 1.896 10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.712 4.915 10.764 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.101 4.105 11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.312 2.730 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.223 4.030 12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.162 6.329 12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.980 6.556 14.301 1.00 0.00 H new ATOM 1576 N ALA A 97 -5.114 3.824 8.395 1.00 0.00 N ATOM 1577 CA ALA A 97 -6.188 3.920 7.414 1.00 0.00 C ATOM 1578 C ALA A 97 -6.224 2.687 6.516 1.00 0.00 C ATOM 1579 O ALA A 97 -7.262 2.041 6.374 1.00 0.00 O ATOM 1580 CB ALA A 97 -6.027 5.180 6.577 1.00 0.00 C ATOM 0 H ALA A 97 -4.433 4.582 8.351 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.134 3.973 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.836 5.239 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.059 6.055 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.070 5.150 6.055 1.00 0.00 H new ATOM 1586 N ILE A 98 -5.084 2.368 5.913 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.986 1.212 5.030 1.00 0.00 C ATOM 1588 C ILE A 98 -5.393 -0.068 5.752 1.00 0.00 C ATOM 1589 O ILE A 98 -6.339 -0.746 5.350 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.558 1.045 4.478 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.097 2.336 3.796 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.499 -0.123 3.505 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.593 2.456 3.684 1.00 0.00 C ATOM 0 H ILE A 98 -4.216 2.893 6.019 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.669 1.391 4.200 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.886 0.835 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.533 2.386 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.481 3.190 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.483 -0.228 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.790 -1.039 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.181 0.060 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.339 3.394 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.151 2.438 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.204 1.622 3.100 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.673 -0.392 6.821 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.960 -1.590 7.602 1.00 0.00 C ATOM 1607 C HIS A 99 -6.461 -1.748 7.822 1.00 0.00 C ATOM 1608 O HIS A 99 -7.047 -2.768 7.461 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.239 -1.531 8.949 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.048 -2.874 9.585 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.858 -3.274 10.155 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.905 -3.910 9.740 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.991 -4.499 10.632 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.224 -4.907 10.394 1.00 0.00 N ATOM 0 H HIS A 99 -3.887 0.158 7.166 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.600 -2.453 7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.265 -1.062 8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.806 -0.894 9.628 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.933 -3.946 9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.222 -5.070 11.132 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.608 -5.815 10.654 1.00 0.00 H new ATOM 1623 N SER A 100 -7.078 -0.732 8.417 1.00 0.00 N ATOM 1624 CA SER A 100 -8.510 -0.760 8.689 1.00 0.00 C ATOM 1625 C SER A 100 -9.302 -1.009 7.408 1.00 0.00 C ATOM 1626 O SER A 100 -10.129 -1.919 7.342 1.00 0.00 O ATOM 1627 CB SER A 100 -8.955 0.556 9.329 1.00 0.00 C ATOM 1628 OG SER A 100 -10.367 0.681 9.309 1.00 0.00 O ATOM 0 H SER A 100 -6.608 0.121 8.720 1.00 0.00 H new ATOM 0 HA SER A 100 -8.707 -1.578 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.597 0.603 10.357 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.505 1.394 8.796 1.00 0.00 H new ATOM 0 HG SER A 100 -10.626 1.530 9.725 1.00 0.00 H new ATOM 1634 N THR A 101 -9.042 -0.193 6.391 1.00 0.00 N ATOM 1635 CA THR A 101 -9.729 -0.322 5.113 1.00 0.00 C ATOM 1636 C THR A 101 -9.821 -1.782 4.683 1.00 0.00 C ATOM 1637 O THR A 101 -10.864 -2.235 4.210 1.00 0.00 O ATOM 1638 CB THR A 101 -9.018 0.482 4.009 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.939 1.862 4.382 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.754 0.351 2.684 1.00 0.00 C ATOM 0 H THR A 101 -8.360 0.565 6.428 1.00 0.00 H new ATOM 0 HA THR A 101 -10.734 0.077 5.253 1.00 0.00 H new ATOM 0 HB THR A 101 -8.012 0.080 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.085 2.031 4.832 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.233 0.928 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.787 -0.698 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.770 0.729 2.793 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.725 -2.514 4.851 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.683 -3.923 4.482 1.00 0.00 C ATOM 1650 C ILE A 102 -9.517 -4.767 5.440 1.00 0.00 C ATOM 1651 O ILE A 102 -10.313 -5.605 5.015 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.240 -4.459 4.468 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.391 -3.673 3.466 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.229 -5.942 4.130 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.902 -3.796 3.708 1.00 0.00 C ATOM 0 H ILE A 102 -7.854 -2.154 5.241 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.099 -3.998 3.478 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.810 -4.329 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.617 -4.022 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.672 -2.621 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.202 -6.306 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.804 -6.490 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.674 -6.094 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.363 -3.214 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.663 -3.420 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.607 -4.843 3.635 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.331 -4.539 6.736 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.069 -5.277 7.756 1.00 0.00 C ATOM 1669 C HIS A 103 -11.552 -5.353 7.405 1.00 0.00 C ATOM 1670 O HIS A 103 -12.185 -6.397 7.568 1.00 0.00 O ATOM 1671 CB HIS A 103 -9.889 -4.616 9.123 1.00 0.00 C ATOM 1672 CG HIS A 103 -10.698 -5.257 10.209 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.038 -5.383 10.358 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.133 -5.862 11.311 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.255 -6.056 11.534 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.090 -6.335 12.090 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.676 -3.850 7.105 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.671 -6.291 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.835 -4.650 9.398 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.165 -3.564 9.048 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.074 -5.938 11.507 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.222 -6.315 11.939 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.952 -6.831 12.971 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.099 -4.242 6.925 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.508 -4.183 6.552 1.00 0.00 C ATOM 1687 C LEU A 104 -13.839 -5.242 5.505 1.00 0.00 C ATOM 1688 O LEU A 104 -14.943 -5.787 5.486 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.856 -2.793 6.016 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.524 -1.617 6.935 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.725 -0.297 6.207 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.375 -1.668 8.196 1.00 0.00 C ATOM 0 H LEU A 104 -11.589 -3.370 6.785 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.103 -4.382 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.333 -2.649 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.923 -2.767 5.797 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.476 -1.692 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.484 0.528 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.072 -0.259 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.763 -0.213 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.125 -0.823 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.430 -1.618 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.181 -2.599 8.729 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.876 -5.529 4.637 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.064 -6.524 3.587 1.00 0.00 C ATOM 1706 C LEU A 105 -13.052 -7.935 4.167 1.00 0.00 C ATOM 1707 O LEU A 105 -13.769 -8.818 3.695 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.970 -6.388 2.526 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.057 -5.153 1.628 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.690 -4.812 1.056 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.065 -5.376 0.510 1.00 0.00 C ATOM 0 H LEU A 105 -11.957 -5.087 4.639 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.035 -6.349 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.003 -6.380 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.993 -7.275 1.893 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.396 -4.311 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.771 -3.931 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.995 -4.608 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.322 -5.652 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.114 -4.487 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.757 -6.230 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.048 -5.571 0.940 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.234 -8.141 5.194 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.131 -9.443 5.841 1.00 0.00 C ATOM 1725 C LYS A 106 -13.488 -9.899 6.367 1.00 0.00 C ATOM 1726 O LYS A 106 -13.870 -11.059 6.207 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.120 -9.386 6.989 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.700 -9.098 6.535 1.00 0.00 C ATOM 1729 CD LYS A 106 -8.794 -8.773 7.711 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.541 -8.035 7.263 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.585 -7.832 8.386 1.00 0.00 N ATOM 0 H LYS A 106 -11.633 -7.422 5.596 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.789 -10.164 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.429 -8.617 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.136 -10.336 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.306 -9.961 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.703 -8.262 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.338 -8.164 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.512 -9.695 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.053 -8.598 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.819 -7.068 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.745 -7.326 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.042 -7.273 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.299 -8.755 8.770 1.00 0.00 H new