USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 581 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 37 THR OG1 : rot -136:sc= 1.33 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -0.456 K(o=0.88,f=-3) USER MOD Set 2.1: A 25 SER OG : rot -80:sc= 1.14 USER MOD Set 2.2: A 33 LYS NZ :NH3+ -166:sc= 2.4 (180deg=1.11) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.448 K(o=0.7,f=-7.7!) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -172:sc= 1.15 (180deg=-0.275) USER MOD Single : A 4 HIS : no HD1:sc= -0.235 K(o=-0.23,f=-3.1!) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00243 (180deg=-0.114) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.371 X(o=0.37,f=0) USER MOD Single : A 17 TYR OH : rot -133:sc= 1.27 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.728) USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -100:sc= 0.627 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0255 (180deg=-0.318) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc=-0.00292 (180deg=-0.0656) USER MOD Single : A 47 ASN : amide:sc= 0.561 K(o=0.56,f=-5.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 164:sc= -0.0825 (180deg=-0.466) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.823) USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -1.891 15.564 -8.492 1.00 0.00 N ATOM 62 CA HIS A 4 -2.603 14.317 -8.864 1.00 0.00 C ATOM 63 C HIS A 4 -2.104 13.167 -8.011 1.00 0.00 C ATOM 64 O HIS A 4 -2.271 12.005 -8.367 1.00 0.00 O ATOM 65 CB HIS A 4 -2.446 13.931 -10.360 1.00 0.00 C ATOM 66 CG HIS A 4 -3.050 14.868 -11.345 1.00 0.00 C ATOM 67 ND1 HIS A 4 -2.306 15.588 -12.239 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.336 15.148 -11.626 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.102 16.271 -13.025 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.343 16.020 -12.679 1.00 0.00 N ATOM 0 HA HIS A 4 -3.661 14.510 -8.690 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.383 13.840 -10.581 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.888 12.946 -10.508 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.203 14.756 -11.114 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.790 16.929 -13.822 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.175 16.411 -13.122 1.00 0.00 H new ATOM 79 N GLY A 5 -1.527 13.481 -6.882 1.00 0.00 N ATOM 80 CA GLY A 5 -0.986 12.460 -6.052 1.00 0.00 C ATOM 81 C GLY A 5 -0.846 12.888 -4.631 1.00 0.00 C ATOM 82 O GLY A 5 -0.452 14.024 -4.351 1.00 0.00 O ATOM 0 H GLY A 5 -1.424 14.431 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.627 11.580 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.010 12.164 -6.436 1.00 0.00 H new ATOM 86 N LYS A 6 -1.192 12.000 -3.743 1.00 0.00 N ATOM 87 CA LYS A 6 -1.081 12.219 -2.318 1.00 0.00 C ATOM 88 C LYS A 6 -0.250 11.108 -1.739 1.00 0.00 C ATOM 89 O LYS A 6 -0.463 9.956 -2.080 1.00 0.00 O ATOM 90 CB LYS A 6 -2.458 12.160 -1.663 1.00 0.00 C ATOM 91 CG LYS A 6 -3.458 13.190 -2.160 1.00 0.00 C ATOM 92 CD LYS A 6 -4.827 12.987 -1.511 1.00 0.00 C ATOM 93 CE LYS A 6 -4.767 13.108 0.013 1.00 0.00 C ATOM 94 NZ LYS A 6 -4.286 14.439 0.445 1.00 0.00 N ATOM 0 H LYS A 6 -1.567 11.084 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.633 13.196 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.876 11.166 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.336 12.286 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.092 14.193 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.552 13.117 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.527 13.724 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.213 12.004 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.758 12.928 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.108 12.337 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.404 14.534 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.280 14.541 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.836 15.180 -0.036 1.00 0.00 H new ATOM 108 N TYR A 7 0.690 11.426 -0.904 1.00 0.00 N ATOM 109 CA TYR A 7 1.477 10.393 -0.274 1.00 0.00 C ATOM 110 C TYR A 7 0.924 10.089 1.086 1.00 0.00 C ATOM 111 O TYR A 7 0.932 10.939 1.970 1.00 0.00 O ATOM 112 CB TYR A 7 2.954 10.776 -0.176 1.00 0.00 C ATOM 113 CG TYR A 7 3.654 10.846 -1.506 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.176 9.704 -2.090 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.795 12.046 -2.179 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.819 9.754 -3.307 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.435 12.104 -3.398 1.00 0.00 C ATOM 118 CZ TYR A 7 4.946 10.956 -3.957 1.00 0.00 C ATOM 119 OH TYR A 7 5.581 11.010 -5.180 1.00 0.00 O ATOM 0 H TYR A 7 0.935 12.380 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 7 1.416 9.502 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.036 11.744 0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.466 10.051 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.077 8.756 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.398 12.951 -1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.221 8.853 -3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.535 13.048 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 7 5.586 11.934 -5.506 1.00 0.00 H new ATOM 129 N VAL A 8 0.429 8.908 1.243 1.00 0.00 N ATOM 130 CA VAL A 8 -0.106 8.472 2.501 1.00 0.00 C ATOM 131 C VAL A 8 0.585 7.183 2.881 1.00 0.00 C ATOM 132 O VAL A 8 1.456 6.697 2.137 1.00 0.00 O ATOM 133 CB VAL A 8 -1.659 8.276 2.474 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.377 9.572 2.114 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.066 7.161 1.529 1.00 0.00 C ATOM 0 H VAL A 8 0.381 8.209 0.502 1.00 0.00 H new ATOM 0 HA VAL A 8 0.081 9.250 3.242 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.961 7.989 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.453 9.401 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.138 10.338 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.054 9.905 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.151 7.055 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.732 7.400 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.608 6.226 1.851 1.00 0.00 H new ATOM 145 N TYR A 9 0.239 6.635 3.999 1.00 0.00 N ATOM 146 CA TYR A 9 0.873 5.435 4.444 1.00 0.00 C ATOM 147 C TYR A 9 -0.152 4.379 4.747 1.00 0.00 C ATOM 148 O TYR A 9 -1.202 4.663 5.311 1.00 0.00 O ATOM 149 CB TYR A 9 1.740 5.702 5.672 1.00 0.00 C ATOM 150 CG TYR A 9 2.912 6.634 5.423 1.00 0.00 C ATOM 151 CD1 TYR A 9 4.135 6.144 4.993 1.00 0.00 C ATOM 152 CD2 TYR A 9 2.794 8.002 5.626 1.00 0.00 C ATOM 153 CE1 TYR A 9 5.203 6.991 4.774 1.00 0.00 C ATOM 154 CE2 TYR A 9 3.855 8.854 5.411 1.00 0.00 C ATOM 155 CZ TYR A 9 5.059 8.344 4.987 1.00 0.00 C ATOM 156 OH TYR A 9 6.126 9.194 4.762 1.00 0.00 O ATOM 0 H TYR A 9 -0.481 6.999 4.623 1.00 0.00 H new ATOM 0 HA TYR A 9 1.517 5.075 3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.115 6.126 6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.121 4.752 6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.254 5.084 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.850 8.407 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.149 6.594 4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.742 9.916 5.574 1.00 0.00 H new ATOM 0 HH TYR A 9 5.857 10.116 4.959 1.00 0.00 H new ATOM 166 N ILE A 10 0.119 3.178 4.344 1.00 0.00 N ATOM 167 CA ILE A 10 -0.777 2.090 4.646 1.00 0.00 C ATOM 168 C ILE A 10 -0.390 1.501 5.989 1.00 0.00 C ATOM 169 O ILE A 10 0.806 1.249 6.253 1.00 0.00 O ATOM 170 CB ILE A 10 -0.783 0.987 3.546 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.117 1.585 2.170 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.743 -0.154 3.888 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.398 2.395 2.136 1.00 0.00 C ATOM 0 H ILE A 10 0.947 2.919 3.807 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.792 2.487 4.681 1.00 0.00 H new ATOM 0 HB ILE A 10 0.222 0.567 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.290 2.221 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.193 0.776 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.717 -0.902 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.442 -0.613 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.755 0.238 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.558 2.780 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.237 1.760 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.321 3.228 2.835 1.00 0.00 H new ATOM 185 N ASP A 11 -1.381 1.306 6.836 1.00 0.00 N ATOM 186 CA ASP A 11 -1.193 0.802 8.178 1.00 0.00 C ATOM 187 C ASP A 11 -0.860 -0.675 8.172 1.00 0.00 C ATOM 188 O ASP A 11 -1.736 -1.538 8.292 1.00 0.00 O ATOM 189 CB ASP A 11 -2.420 1.118 9.075 1.00 0.00 C ATOM 190 CG ASP A 11 -2.344 0.538 10.494 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.507 0.983 11.309 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.182 -0.323 10.839 1.00 0.00 O ATOM 0 H ASP A 11 -2.356 1.497 6.605 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.337 1.319 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.533 2.200 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.317 0.735 8.588 1.00 0.00 H new ATOM 197 N LEU A 12 0.409 -0.961 7.921 1.00 0.00 N ATOM 198 CA LEU A 12 0.931 -2.318 7.983 1.00 0.00 C ATOM 199 C LEU A 12 0.915 -2.731 9.435 1.00 0.00 C ATOM 200 O LEU A 12 0.842 -3.911 9.769 1.00 0.00 O ATOM 201 CB LEU A 12 2.356 -2.375 7.444 1.00 0.00 C ATOM 202 CG LEU A 12 2.592 -1.831 6.030 1.00 0.00 C ATOM 203 CD1 LEU A 12 4.068 -1.936 5.679 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.731 -2.573 5.004 1.00 0.00 C ATOM 0 H LEU A 12 1.105 -0.260 7.669 1.00 0.00 H new ATOM 0 HA LEU A 12 0.323 -2.987 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.999 -1.824 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.684 -3.414 7.465 1.00 0.00 H new ATOM 0 HG LEU A 12 2.298 -0.782 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.231 -1.548 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.654 -1.355 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.378 -2.980 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.918 -2.167 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.983 -3.633 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.678 -2.448 5.254 1.00 0.00 H new ATOM 216 N ASN A 13 1.069 -1.711 10.286 1.00 0.00 N ATOM 217 CA ASN A 13 0.858 -1.768 11.740 1.00 0.00 C ATOM 218 C ASN A 13 1.967 -2.517 12.499 1.00 0.00 C ATOM 219 O ASN A 13 2.126 -2.348 13.695 1.00 0.00 O ATOM 220 CB ASN A 13 -0.548 -2.335 12.037 1.00 0.00 C ATOM 221 CG ASN A 13 -1.029 -2.079 13.443 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.845 -2.893 14.339 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.667 -0.951 13.637 1.00 0.00 N ATOM 0 H ASN A 13 1.356 -0.785 9.970 1.00 0.00 H new ATOM 0 HA ASN A 13 0.915 -0.748 12.120 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.260 -1.899 11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.540 -3.410 11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.032 -0.724 14.562 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.799 -0.300 12.863 1.00 0.00 H new ATOM 230 N ASN A 14 2.787 -3.251 11.776 1.00 0.00 N ATOM 231 CA ASN A 14 3.869 -4.067 12.357 1.00 0.00 C ATOM 232 C ASN A 14 5.136 -3.244 12.637 1.00 0.00 C ATOM 233 O ASN A 14 6.223 -3.784 12.804 1.00 0.00 O ATOM 234 CB ASN A 14 4.197 -5.289 11.464 1.00 0.00 C ATOM 235 CG ASN A 14 4.593 -4.924 10.041 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.746 -4.653 9.755 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.645 -4.950 9.132 1.00 0.00 N ATOM 0 H ASN A 14 2.733 -3.308 10.759 1.00 0.00 H new ATOM 0 HA ASN A 14 3.501 -4.432 13.316 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.008 -5.855 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.328 -5.947 11.432 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.866 -4.740 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.688 -5.180 9.400 1.00 0.00 H new ATOM 244 N GLY A 15 4.970 -1.949 12.729 1.00 0.00 N ATOM 245 CA GLY A 15 6.069 -1.057 13.057 1.00 0.00 C ATOM 246 C GLY A 15 6.611 -0.320 11.869 1.00 0.00 C ATOM 247 O GLY A 15 7.307 0.673 12.018 1.00 0.00 O ATOM 0 H GLY A 15 4.077 -1.479 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.732 -0.335 13.801 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.872 -1.635 13.515 1.00 0.00 H new ATOM 251 N LYS A 16 6.257 -0.771 10.700 1.00 0.00 N ATOM 252 CA LYS A 16 6.633 -0.102 9.485 1.00 0.00 C ATOM 253 C LYS A 16 5.399 0.167 8.682 1.00 0.00 C ATOM 254 O LYS A 16 4.379 -0.516 8.855 1.00 0.00 O ATOM 255 CB LYS A 16 7.687 -0.884 8.675 1.00 0.00 C ATOM 256 CG LYS A 16 7.332 -2.323 8.353 1.00 0.00 C ATOM 257 CD LYS A 16 8.452 -2.991 7.564 1.00 0.00 C ATOM 258 CE LYS A 16 8.214 -4.484 7.380 1.00 0.00 C ATOM 259 NZ LYS A 16 8.175 -5.212 8.676 1.00 0.00 N ATOM 0 H LYS A 16 5.699 -1.613 10.561 1.00 0.00 H new ATOM 0 HA LYS A 16 7.113 0.842 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.866 -0.355 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.625 -0.876 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.152 -2.874 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.407 -2.354 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.540 -2.516 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.400 -2.837 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.273 -4.637 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.003 -4.901 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.147 -6.236 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.024 -4.980 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.327 -4.930 9.207 1.00 0.00 H new ATOM 273 N TYR A 17 5.460 1.167 7.858 1.00 0.00 N ATOM 274 CA TYR A 17 4.336 1.589 7.048 1.00 0.00 C ATOM 275 C TYR A 17 4.797 1.746 5.633 1.00 0.00 C ATOM 276 O TYR A 17 5.944 2.046 5.405 1.00 0.00 O ATOM 277 CB TYR A 17 3.748 2.918 7.573 1.00 0.00 C ATOM 278 CG TYR A 17 2.895 2.791 8.829 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.423 2.324 10.017 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.549 3.116 8.805 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.646 2.180 11.140 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.764 2.969 9.925 1.00 0.00 C ATOM 283 CZ TYR A 17 1.322 2.502 11.090 1.00 0.00 C ATOM 284 OH TYR A 17 0.542 2.327 12.200 1.00 0.00 O ATOM 0 H TYR A 17 6.301 1.728 7.720 1.00 0.00 H new ATOM 0 HA TYR A 17 3.550 0.836 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.569 3.606 7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.144 3.367 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.471 2.066 10.064 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.109 3.491 7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.081 1.814 12.058 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.286 3.220 9.889 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.293 1.881 11.946 1.00 0.00 H new ATOM 294 N VAL A 18 3.936 1.537 4.694 1.00 0.00 N ATOM 295 CA VAL A 18 4.324 1.658 3.307 1.00 0.00 C ATOM 296 C VAL A 18 3.870 2.994 2.751 1.00 0.00 C ATOM 297 O VAL A 18 2.733 3.425 2.986 1.00 0.00 O ATOM 298 CB VAL A 18 3.821 0.457 2.434 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.341 0.251 2.579 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.179 0.642 0.970 1.00 0.00 C ATOM 0 H VAL A 18 2.961 1.282 4.849 1.00 0.00 H new ATOM 0 HA VAL A 18 5.412 1.620 3.263 1.00 0.00 H new ATOM 0 HB VAL A 18 4.330 -0.434 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.028 -0.590 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.103 0.042 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.815 1.151 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.814 -0.210 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.718 1.556 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.262 0.713 0.866 1.00 0.00 H new ATOM 310 N LYS A 19 4.778 3.660 2.071 1.00 0.00 N ATOM 311 CA LYS A 19 4.534 4.956 1.500 1.00 0.00 C ATOM 312 C LYS A 19 3.906 4.778 0.133 1.00 0.00 C ATOM 313 O LYS A 19 4.572 4.340 -0.814 1.00 0.00 O ATOM 314 CB LYS A 19 5.854 5.726 1.387 1.00 0.00 C ATOM 315 CG LYS A 19 5.718 7.148 0.861 1.00 0.00 C ATOM 316 CD LYS A 19 7.075 7.813 0.761 1.00 0.00 C ATOM 317 CE LYS A 19 6.972 9.236 0.244 1.00 0.00 C ATOM 318 NZ LYS A 19 8.301 9.857 0.085 1.00 0.00 N ATOM 0 H LYS A 19 5.719 3.306 1.900 1.00 0.00 H new ATOM 0 HA LYS A 19 3.856 5.524 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.324 5.760 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.526 5.173 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.241 7.135 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.072 7.726 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.550 7.817 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.716 7.232 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.452 9.238 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.373 9.831 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.190 10.828 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.787 9.878 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.864 9.303 -0.592 1.00 0.00 H new ATOM 332 N VAL A 20 2.651 5.099 0.032 1.00 0.00 N ATOM 333 CA VAL A 20 1.924 4.907 -1.187 1.00 0.00 C ATOM 334 C VAL A 20 1.410 6.248 -1.718 1.00 0.00 C ATOM 335 O VAL A 20 0.948 7.114 -0.953 1.00 0.00 O ATOM 336 CB VAL A 20 0.743 3.893 -0.985 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.268 4.401 0.021 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.065 3.524 -2.302 1.00 0.00 C ATOM 0 H VAL A 20 2.102 5.501 0.792 1.00 0.00 H new ATOM 0 HA VAL A 20 2.602 4.482 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 20 1.186 2.982 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.069 3.670 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.221 4.553 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.685 5.346 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.745 2.820 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.338 4.423 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.794 3.065 -2.970 1.00 0.00 H new ATOM 348 N ARG A 21 1.539 6.444 -3.005 1.00 0.00 N ATOM 349 CA ARG A 21 1.028 7.622 -3.631 1.00 0.00 C ATOM 350 C ARG A 21 -0.329 7.298 -4.194 1.00 0.00 C ATOM 351 O ARG A 21 -0.471 6.380 -5.021 1.00 0.00 O ATOM 352 CB ARG A 21 1.943 8.119 -4.761 1.00 0.00 C ATOM 353 CG ARG A 21 1.555 9.498 -5.311 1.00 0.00 C ATOM 354 CD ARG A 21 2.420 9.881 -6.512 1.00 0.00 C ATOM 355 NE ARG A 21 2.281 11.303 -6.901 1.00 0.00 N ATOM 356 CZ ARG A 21 1.682 11.775 -8.021 1.00 0.00 C ATOM 357 NH1 ARG A 21 0.962 10.974 -8.799 1.00 0.00 N ATOM 358 NH2 ARG A 21 1.789 13.058 -8.325 1.00 0.00 N ATOM 0 H ARG A 21 1.999 5.792 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 21 0.971 8.416 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.969 8.160 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.925 7.395 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.505 9.493 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.664 10.248 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.465 9.675 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.152 9.251 -7.360 1.00 0.00 H new ATOM 0 HE ARG A 21 2.675 11.995 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.854 9.989 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.517 11.344 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.319 13.683 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.341 13.422 -9.166 1.00 0.00 H new ATOM 372 N ILE A 22 -1.305 7.998 -3.723 1.00 0.00 N ATOM 373 CA ILE A 22 -2.646 7.863 -4.212 1.00 0.00 C ATOM 374 C ILE A 22 -2.695 8.683 -5.466 1.00 0.00 C ATOM 375 O ILE A 22 -2.448 9.892 -5.413 1.00 0.00 O ATOM 376 CB ILE A 22 -3.683 8.434 -3.205 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.474 7.856 -1.794 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.111 8.174 -3.688 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.585 6.352 -1.708 1.00 0.00 C ATOM 0 H ILE A 22 -1.199 8.689 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.891 6.813 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.529 9.512 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.489 8.156 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.207 8.300 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.819 8.583 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.261 8.653 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.272 7.100 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.424 6.034 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.578 6.041 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.833 5.894 -2.351 1.00 0.00 H new ATOM 391 N LEU A 23 -2.942 8.057 -6.574 1.00 0.00 N ATOM 392 CA LEU A 23 -2.934 8.749 -7.827 1.00 0.00 C ATOM 393 C LEU A 23 -4.337 9.237 -8.085 1.00 0.00 C ATOM 394 O LEU A 23 -5.220 8.449 -8.390 1.00 0.00 O ATOM 395 CB LEU A 23 -2.522 7.778 -8.942 1.00 0.00 C ATOM 396 CG LEU A 23 -1.252 6.939 -8.690 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.025 5.955 -9.821 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.032 7.820 -8.513 1.00 0.00 C ATOM 0 H LEU A 23 -3.153 7.061 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.232 9.582 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.352 7.095 -9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.376 8.352 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.406 6.383 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.124 5.374 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.880 5.284 -9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.907 6.499 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.845 7.197 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.121 8.415 -9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.182 8.483 -7.661 1.00 0.00 H new ATOM 410 N LYS A 24 -4.553 10.507 -7.996 1.00 0.00 N ATOM 411 CA LYS A 24 -5.877 11.006 -8.161 1.00 0.00 C ATOM 412 C LYS A 24 -6.082 11.381 -9.605 1.00 0.00 C ATOM 413 O LYS A 24 -5.572 12.409 -10.087 1.00 0.00 O ATOM 414 CB LYS A 24 -6.145 12.189 -7.229 1.00 0.00 C ATOM 415 CG LYS A 24 -7.591 12.623 -7.227 1.00 0.00 C ATOM 416 CD LYS A 24 -7.861 13.710 -6.212 1.00 0.00 C ATOM 417 CE LYS A 24 -9.350 14.006 -6.125 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.116 12.819 -5.687 1.00 0.00 N ATOM 0 H LYS A 24 -3.839 11.212 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.592 10.229 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.851 11.919 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.520 13.030 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.862 12.981 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.226 11.763 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.489 13.403 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.321 14.615 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.518 14.826 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.714 14.336 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.081 13.105 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.157 12.127 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.649 12.389 -4.863 1.00 0.00 H new ATOM 432 N SER A 25 -6.828 10.571 -10.290 1.00 0.00 N ATOM 433 CA SER A 25 -7.041 10.758 -11.678 1.00 0.00 C ATOM 434 C SER A 25 -8.336 11.519 -11.940 1.00 0.00 C ATOM 435 O SER A 25 -9.407 10.924 -12.144 1.00 0.00 O ATOM 436 CB SER A 25 -7.044 9.411 -12.358 1.00 0.00 C ATOM 437 OG SER A 25 -5.890 8.667 -11.989 1.00 0.00 O ATOM 0 H SER A 25 -7.305 9.761 -9.894 1.00 0.00 H new ATOM 0 HA SER A 25 -6.233 11.363 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.943 8.860 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.069 9.543 -13.440 1.00 0.00 H new ATOM 0 HG SER A 25 -5.122 8.971 -12.517 1.00 0.00 H new ATOM 443 N ARG A 26 -8.240 12.832 -11.863 1.00 0.00 N ATOM 444 CA ARG A 26 -9.368 13.719 -12.135 1.00 0.00 C ATOM 445 C ARG A 26 -9.546 13.879 -13.622 1.00 0.00 C ATOM 446 O ARG A 26 -10.652 13.995 -14.114 1.00 0.00 O ATOM 447 CB ARG A 26 -9.150 15.084 -11.506 1.00 0.00 C ATOM 448 CG ARG A 26 -9.180 15.097 -9.998 1.00 0.00 C ATOM 449 CD ARG A 26 -8.911 16.489 -9.456 1.00 0.00 C ATOM 450 NE ARG A 26 -9.846 17.491 -9.982 1.00 0.00 N ATOM 451 CZ ARG A 26 -10.035 18.705 -9.460 1.00 0.00 C ATOM 452 NH1 ARG A 26 -9.417 19.049 -8.320 1.00 0.00 N ATOM 453 NH2 ARG A 26 -10.869 19.562 -10.059 1.00 0.00 N ATOM 0 H ARG A 26 -7.380 13.320 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.263 13.273 -11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.188 15.473 -11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.915 15.766 -11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.152 14.749 -9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.434 14.403 -9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.978 16.470 -8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.892 16.782 -9.707 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.391 17.241 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.803 18.383 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.562 19.977 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.358 19.287 -10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.017 20.491 -9.664 1.00 0.00 H new ATOM 467 N ASP A 27 -8.429 13.877 -14.322 1.00 0.00 N ATOM 468 CA ASP A 27 -8.386 13.994 -15.781 1.00 0.00 C ATOM 469 C ASP A 27 -9.147 12.853 -16.416 1.00 0.00 C ATOM 470 O ASP A 27 -9.861 13.027 -17.408 1.00 0.00 O ATOM 471 CB ASP A 27 -6.932 13.975 -16.253 1.00 0.00 C ATOM 472 CG ASP A 27 -6.145 15.176 -15.806 1.00 0.00 C ATOM 473 OD1 ASP A 27 -5.973 15.374 -14.588 1.00 0.00 O ATOM 474 OD2 ASP A 27 -5.702 15.971 -16.667 1.00 0.00 O ATOM 0 H ASP A 27 -7.507 13.793 -13.894 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.850 14.934 -16.078 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.448 13.073 -15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.911 13.920 -17.341 1.00 0.00 H new ATOM 479 N ASP A 28 -8.967 11.687 -15.835 1.00 0.00 N ATOM 480 CA ASP A 28 -9.676 10.482 -16.218 1.00 0.00 C ATOM 481 C ASP A 28 -11.144 10.681 -15.903 1.00 0.00 C ATOM 482 O ASP A 28 -12.005 10.643 -16.791 1.00 0.00 O ATOM 483 CB ASP A 28 -9.139 9.279 -15.416 1.00 0.00 C ATOM 484 CG ASP A 28 -7.653 9.026 -15.612 1.00 0.00 C ATOM 485 OD1 ASP A 28 -6.849 9.967 -15.413 1.00 0.00 O ATOM 486 OD2 ASP A 28 -7.259 7.870 -15.878 1.00 0.00 O ATOM 0 H ASP A 28 -8.311 11.545 -15.067 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.535 10.286 -17.281 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.333 9.445 -14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.692 8.385 -15.706 1.00 0.00 H new ATOM 491 N ASN A 29 -11.412 10.935 -14.631 1.00 0.00 N ATOM 492 CA ASN A 29 -12.752 11.209 -14.122 1.00 0.00 C ATOM 493 C ASN A 29 -12.647 11.593 -12.660 1.00 0.00 C ATOM 494 O ASN A 29 -12.665 12.759 -12.310 1.00 0.00 O ATOM 495 CB ASN A 29 -13.695 9.989 -14.262 1.00 0.00 C ATOM 496 CG ASN A 29 -15.121 10.273 -13.774 1.00 0.00 C ATOM 497 OD1 ASN A 29 -15.640 11.440 -14.063 1.00 0.00 O flip ATOM 498 ND2 ASN A 29 -15.762 9.402 -13.194 1.00 0.00 N flip ATOM 0 H ASN A 29 -10.692 10.957 -13.908 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.177 12.020 -14.713 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.729 9.682 -15.307 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.284 9.152 -13.697 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.327 8.503 -12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.729 9.577 -12.922 1.00 0.00 H new ATOM 505 N SER A 30 -12.473 10.592 -11.842 1.00 0.00 N ATOM 506 CA SER A 30 -12.336 10.704 -10.426 1.00 0.00 C ATOM 507 C SER A 30 -11.979 9.315 -9.957 1.00 0.00 C ATOM 508 O SER A 30 -12.793 8.590 -9.392 1.00 0.00 O ATOM 509 CB SER A 30 -13.655 11.204 -9.780 1.00 0.00 C ATOM 510 OG SER A 30 -13.537 11.383 -8.372 1.00 0.00 O ATOM 0 H SER A 30 -12.421 9.627 -12.168 1.00 0.00 H new ATOM 0 HA SER A 30 -11.575 11.430 -10.142 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.947 12.148 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.451 10.489 -9.987 1.00 0.00 H new ATOM 0 HG SER A 30 -14.391 11.700 -8.010 1.00 0.00 H new ATOM 516 N VAL A 31 -10.805 8.895 -10.350 1.00 0.00 N ATOM 517 CA VAL A 31 -10.351 7.561 -10.059 1.00 0.00 C ATOM 518 C VAL A 31 -9.039 7.627 -9.325 1.00 0.00 C ATOM 519 O VAL A 31 -8.019 7.999 -9.897 1.00 0.00 O ATOM 520 CB VAL A 31 -10.156 6.710 -11.354 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.794 5.268 -11.010 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.390 6.761 -12.249 1.00 0.00 C ATOM 0 H VAL A 31 -10.141 9.463 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.116 7.082 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.327 7.146 -11.911 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.664 4.696 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.866 5.252 -10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.593 4.824 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.218 6.158 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.250 6.369 -11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.585 7.793 -12.541 1.00 0.00 H new ATOM 532 N GLU A 32 -9.074 7.353 -8.073 1.00 0.00 N ATOM 533 CA GLU A 32 -7.896 7.268 -7.301 1.00 0.00 C ATOM 534 C GLU A 32 -7.232 5.915 -7.503 1.00 0.00 C ATOM 535 O GLU A 32 -7.691 4.890 -6.980 1.00 0.00 O ATOM 536 CB GLU A 32 -8.182 7.539 -5.835 1.00 0.00 C ATOM 537 CG GLU A 32 -8.501 8.996 -5.539 1.00 0.00 C ATOM 538 CD GLU A 32 -9.808 9.507 -6.124 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.879 9.004 -5.751 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.790 10.469 -6.912 1.00 0.00 O ATOM 0 H GLU A 32 -9.933 7.180 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.202 8.038 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.020 6.920 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.319 7.237 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.528 9.132 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.687 9.613 -5.918 1.00 0.00 H new ATOM 547 N LYS A 33 -6.201 5.907 -8.319 1.00 0.00 N ATOM 548 CA LYS A 33 -5.449 4.709 -8.599 1.00 0.00 C ATOM 549 C LYS A 33 -4.362 4.600 -7.539 1.00 0.00 C ATOM 550 O LYS A 33 -4.114 5.559 -6.793 1.00 0.00 O ATOM 551 CB LYS A 33 -4.775 4.756 -9.999 1.00 0.00 C ATOM 552 CG LYS A 33 -5.667 5.152 -11.185 1.00 0.00 C ATOM 553 CD LYS A 33 -4.934 4.876 -12.509 1.00 0.00 C ATOM 554 CE LYS A 33 -5.687 5.388 -13.745 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.531 6.853 -13.955 1.00 0.00 N ATOM 0 H LYS A 33 -5.861 6.735 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.126 3.855 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.942 5.458 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.352 3.773 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.600 4.590 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.928 6.208 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.950 5.343 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.774 3.802 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.327 4.860 -14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.746 5.152 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.236 7.182 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.672 7.350 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.576 7.052 -14.314 1.00 0.00 H new ATOM 569 N TYR A 34 -3.713 3.482 -7.457 1.00 0.00 N ATOM 570 CA TYR A 34 -2.655 3.328 -6.497 1.00 0.00 C ATOM 571 C TYR A 34 -1.341 3.126 -7.215 1.00 0.00 C ATOM 572 O TYR A 34 -1.307 2.521 -8.288 1.00 0.00 O ATOM 573 CB TYR A 34 -2.960 2.186 -5.518 1.00 0.00 C ATOM 574 CG TYR A 34 -4.238 2.417 -4.732 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.285 3.362 -3.720 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.403 1.715 -5.021 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.449 3.601 -3.012 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.572 1.951 -4.318 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.587 2.895 -3.315 1.00 0.00 C ATOM 580 OH TYR A 34 -7.746 3.134 -2.612 1.00 0.00 O ATOM 0 H TYR A 34 -3.892 2.663 -8.038 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.578 4.237 -5.901 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.042 1.250 -6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.126 2.074 -4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.395 3.924 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.396 0.974 -5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.463 4.340 -2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.468 1.397 -4.555 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.459 2.553 -2.950 1.00 0.00 H new ATOM 590 N VAL A 35 -0.280 3.698 -6.666 1.00 0.00 N ATOM 591 CA VAL A 35 1.053 3.595 -7.250 1.00 0.00 C ATOM 592 C VAL A 35 1.561 2.131 -7.170 1.00 0.00 C ATOM 593 O VAL A 35 1.110 1.355 -6.330 1.00 0.00 O ATOM 594 CB VAL A 35 2.045 4.568 -6.534 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.391 4.107 -5.132 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.294 4.839 -7.359 1.00 0.00 C ATOM 0 H VAL A 35 -0.316 4.245 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 35 0.997 3.884 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 35 1.519 5.518 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.083 4.816 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.482 4.051 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.857 3.123 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.948 5.520 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.819 3.902 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.011 5.290 -8.310 1.00 0.00 H new ATOM 606 N LEU A 36 2.491 1.781 -8.035 1.00 0.00 N ATOM 607 CA LEU A 36 2.994 0.418 -8.116 1.00 0.00 C ATOM 608 C LEU A 36 4.154 0.153 -7.127 1.00 0.00 C ATOM 609 O LEU A 36 4.625 -0.983 -6.992 1.00 0.00 O ATOM 610 CB LEU A 36 3.426 0.110 -9.562 1.00 0.00 C ATOM 611 CG LEU A 36 3.870 -1.325 -9.853 1.00 0.00 C ATOM 612 CD1 LEU A 36 2.724 -2.296 -9.648 1.00 0.00 C ATOM 613 CD2 LEU A 36 4.432 -1.441 -11.251 1.00 0.00 C ATOM 0 H LEU A 36 2.919 2.426 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 36 2.184 -0.251 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.595 0.350 -10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.245 0.780 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 36 4.661 -1.584 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.064 -3.310 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.378 -2.238 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.905 -2.039 -10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.741 -2.470 -11.435 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.668 -1.157 -11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.293 -0.780 -11.353 1.00 0.00 H new ATOM 625 N THR A 37 4.608 1.164 -6.436 1.00 0.00 N ATOM 626 CA THR A 37 5.714 0.968 -5.537 1.00 0.00 C ATOM 627 C THR A 37 5.205 0.610 -4.141 1.00 0.00 C ATOM 628 O THR A 37 4.104 0.995 -3.743 1.00 0.00 O ATOM 629 CB THR A 37 6.665 2.202 -5.486 1.00 0.00 C ATOM 630 OG1 THR A 37 7.833 1.903 -4.694 1.00 0.00 O ATOM 631 CG2 THR A 37 5.968 3.429 -4.907 1.00 0.00 C ATOM 0 H THR A 37 4.238 2.114 -6.475 1.00 0.00 H new ATOM 0 HA THR A 37 6.304 0.136 -5.922 1.00 0.00 H new ATOM 0 HB THR A 37 6.960 2.425 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.030 2.660 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.664 4.268 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.108 3.685 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.633 3.212 -3.892 1.00 0.00 H new ATOM 639 N SER A 38 5.994 -0.143 -3.430 1.00 0.00 N ATOM 640 CA SER A 38 5.646 -0.612 -2.127 1.00 0.00 C ATOM 641 C SER A 38 6.777 -0.300 -1.138 1.00 0.00 C ATOM 642 O SER A 38 6.922 -0.973 -0.118 1.00 0.00 O ATOM 643 CB SER A 38 5.384 -2.113 -2.206 1.00 0.00 C ATOM 644 OG SER A 38 4.415 -2.396 -3.219 1.00 0.00 O ATOM 0 H SER A 38 6.913 -0.452 -3.748 1.00 0.00 H new ATOM 0 HA SER A 38 4.746 -0.109 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.313 -2.640 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.029 -2.478 -1.242 1.00 0.00 H new ATOM 0 HG SER A 38 4.258 -3.362 -3.260 1.00 0.00 H new ATOM 650 N HIS A 39 7.571 0.734 -1.451 1.00 0.00 N ATOM 651 CA HIS A 39 8.683 1.129 -0.580 1.00 0.00 C ATOM 652 C HIS A 39 8.212 1.506 0.827 1.00 0.00 C ATOM 653 O HIS A 39 7.336 2.373 1.011 1.00 0.00 O ATOM 654 CB HIS A 39 9.617 2.206 -1.202 1.00 0.00 C ATOM 655 CG HIS A 39 8.996 3.505 -1.646 1.00 0.00 C ATOM 656 ND1 HIS A 39 8.931 3.891 -2.963 1.00 0.00 N ATOM 657 CD2 HIS A 39 8.509 4.544 -0.940 1.00 0.00 C ATOM 658 CE1 HIS A 39 8.442 5.104 -3.043 1.00 0.00 C ATOM 659 NE2 HIS A 39 8.177 5.527 -1.833 1.00 0.00 N ATOM 0 H HIS A 39 7.465 1.304 -2.290 1.00 0.00 H new ATOM 0 HA HIS A 39 9.303 0.238 -0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 39 10.393 2.438 -0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.114 1.761 -2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.400 4.592 0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.284 5.661 -3.955 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.787 6.439 -1.595 1.00 0.00 H new ATOM 668 N VAL A 40 8.793 0.858 1.798 1.00 0.00 N ATOM 669 CA VAL A 40 8.384 1.000 3.172 1.00 0.00 C ATOM 670 C VAL A 40 9.170 2.043 3.956 1.00 0.00 C ATOM 671 O VAL A 40 10.364 2.284 3.720 1.00 0.00 O ATOM 672 CB VAL A 40 8.346 -0.359 3.935 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.123 -1.149 3.519 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.594 -1.188 3.643 1.00 0.00 C ATOM 0 H VAL A 40 9.569 0.211 1.660 1.00 0.00 H new ATOM 0 HA VAL A 40 7.363 1.376 3.106 1.00 0.00 H new ATOM 0 HB VAL A 40 8.308 -0.143 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.103 -2.097 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.224 -0.579 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.161 -1.340 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.541 -2.130 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.654 -1.390 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.479 -0.636 3.958 1.00 0.00 H new ATOM 684 N SER A 41 8.477 2.654 4.861 1.00 0.00 N ATOM 685 CA SER A 41 8.972 3.644 5.756 1.00 0.00 C ATOM 686 C SER A 41 9.143 2.989 7.115 1.00 0.00 C ATOM 687 O SER A 41 8.266 2.233 7.561 1.00 0.00 O ATOM 688 CB SER A 41 7.949 4.805 5.842 1.00 0.00 C ATOM 689 OG SER A 41 8.358 5.827 6.749 1.00 0.00 O ATOM 0 H SER A 41 7.485 2.461 5.002 1.00 0.00 H new ATOM 0 HA SER A 41 9.925 4.046 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.811 5.237 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.982 4.411 6.156 1.00 0.00 H new ATOM 0 HG SER A 41 7.884 5.718 7.600 1.00 0.00 H new ATOM 695 N LYS A 42 10.256 3.262 7.752 1.00 0.00 N ATOM 696 CA LYS A 42 10.562 2.694 9.054 1.00 0.00 C ATOM 697 C LYS A 42 9.910 3.529 10.134 1.00 0.00 C ATOM 698 O LYS A 42 9.620 3.053 11.226 1.00 0.00 O ATOM 699 CB LYS A 42 12.072 2.678 9.266 1.00 0.00 C ATOM 700 CG LYS A 42 12.825 1.927 8.196 1.00 0.00 C ATOM 701 CD LYS A 42 14.320 1.990 8.413 1.00 0.00 C ATOM 702 CE LYS A 42 15.065 1.257 7.319 1.00 0.00 C ATOM 703 NZ LYS A 42 14.830 1.860 5.989 1.00 0.00 N ATOM 0 H LYS A 42 10.978 3.883 7.387 1.00 0.00 H new ATOM 0 HA LYS A 42 10.181 1.674 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.436 3.705 9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.290 2.229 10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.502 0.886 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.581 2.344 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.642 3.031 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.568 1.553 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.133 1.267 7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.752 0.213 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.549 1.517 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.884 1.592 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.892 2.896 6.062 1.00 0.00 H new ATOM 717 N ASN A 43 9.682 4.774 9.818 1.00 0.00 N ATOM 718 CA ASN A 43 9.082 5.689 10.751 1.00 0.00 C ATOM 719 C ASN A 43 7.594 5.714 10.553 1.00 0.00 C ATOM 720 O ASN A 43 7.105 5.763 9.403 1.00 0.00 O ATOM 721 CB ASN A 43 9.668 7.101 10.608 1.00 0.00 C ATOM 722 CG ASN A 43 11.147 7.175 10.956 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.522 7.402 12.113 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.998 7.006 9.980 1.00 0.00 N ATOM 0 H ASN A 43 9.906 5.182 8.910 1.00 0.00 H new ATOM 0 HA ASN A 43 9.304 5.343 11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.525 7.444 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.115 7.784 11.253 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.000 7.060 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.661 6.820 9.036 1.00 0.00 H new ATOM 731 N ARG A 44 6.878 5.646 11.651 1.00 0.00 N ATOM 732 CA ARG A 44 5.438 5.659 11.638 1.00 0.00 C ATOM 733 C ARG A 44 4.949 7.099 11.626 1.00 0.00 C ATOM 734 O ARG A 44 5.485 7.949 12.354 1.00 0.00 O ATOM 735 CB ARG A 44 4.891 4.913 12.855 1.00 0.00 C ATOM 736 CG ARG A 44 5.327 3.458 12.920 1.00 0.00 C ATOM 737 CD ARG A 44 4.787 2.767 14.154 1.00 0.00 C ATOM 738 NE ARG A 44 5.318 3.354 15.380 1.00 0.00 N ATOM 739 CZ ARG A 44 5.203 2.816 16.598 1.00 0.00 C ATOM 740 NH1 ARG A 44 4.521 1.682 16.787 1.00 0.00 N ATOM 741 NH2 ARG A 44 5.764 3.413 17.629 1.00 0.00 N ATOM 0 H ARG A 44 7.284 5.580 12.584 1.00 0.00 H new ATOM 0 HA ARG A 44 5.078 5.153 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.218 5.423 13.761 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.802 4.958 12.839 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.981 2.934 12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.416 3.404 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.699 2.833 14.161 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.042 1.708 14.118 1.00 0.00 H new ATOM 0 HE ARG A 44 5.814 4.242 15.301 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.079 1.215 15.995 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.442 1.284 17.723 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.283 4.281 17.495 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.680 3.007 18.561 1.00 0.00 H new ATOM 755 N PRO A 45 3.979 7.417 10.775 1.00 0.00 N ATOM 756 CA PRO A 45 3.473 8.765 10.653 1.00 0.00 C ATOM 757 C PRO A 45 2.350 9.103 11.641 1.00 0.00 C ATOM 758 O PRO A 45 1.365 8.369 11.783 1.00 0.00 O ATOM 759 CB PRO A 45 2.952 8.801 9.232 1.00 0.00 C ATOM 760 CG PRO A 45 2.496 7.407 8.955 1.00 0.00 C ATOM 761 CD PRO A 45 3.306 6.493 9.841 1.00 0.00 C ATOM 0 HA PRO A 45 4.247 9.499 10.877 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.133 9.512 9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.730 9.108 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.431 7.301 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.642 7.155 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.671 5.782 10.369 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.026 5.911 9.265 1.00 0.00 H new ATOM 769 N LYS A 46 2.518 10.204 12.312 1.00 0.00 N ATOM 770 CA LYS A 46 1.522 10.727 13.222 1.00 0.00 C ATOM 771 C LYS A 46 0.779 11.857 12.494 1.00 0.00 C ATOM 772 O LYS A 46 -0.401 12.111 12.721 1.00 0.00 O ATOM 773 CB LYS A 46 2.259 11.235 14.502 1.00 0.00 C ATOM 774 CG LYS A 46 1.404 11.716 15.696 1.00 0.00 C ATOM 775 CD LYS A 46 0.759 13.089 15.481 1.00 0.00 C ATOM 776 CE LYS A 46 0.069 13.585 16.745 1.00 0.00 C ATOM 777 NZ LYS A 46 -1.003 12.677 17.203 1.00 0.00 N ATOM 0 H LYS A 46 3.359 10.777 12.247 1.00 0.00 H new ATOM 0 HA LYS A 46 0.795 9.975 13.527 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.903 10.430 14.857 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.910 12.057 14.207 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.621 10.983 15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.030 11.755 16.587 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.521 13.806 15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.034 13.029 14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.809 13.696 17.538 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.352 14.573 16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.506 13.110 18.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.672 12.509 16.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.587 11.772 17.503 1.00 0.00 H new ATOM 791 N ASN A 47 1.474 12.465 11.571 1.00 0.00 N ATOM 792 CA ASN A 47 1.002 13.640 10.833 1.00 0.00 C ATOM 793 C ASN A 47 0.528 13.300 9.421 1.00 0.00 C ATOM 794 O ASN A 47 0.351 14.196 8.596 1.00 0.00 O ATOM 795 CB ASN A 47 2.133 14.680 10.731 1.00 0.00 C ATOM 796 CG ASN A 47 3.394 14.140 10.042 1.00 0.00 C ATOM 797 OD1 ASN A 47 3.730 12.947 10.154 1.00 0.00 O ATOM 798 ND2 ASN A 47 4.082 14.982 9.323 1.00 0.00 N ATOM 0 H ASN A 47 2.408 12.162 11.294 1.00 0.00 H new ATOM 0 HA ASN A 47 0.152 14.037 11.388 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.770 15.548 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.393 15.023 11.732 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.920 14.669 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.782 15.954 9.250 1.00 0.00 H new ATOM 805 N ALA A 48 0.297 12.041 9.139 1.00 0.00 N ATOM 806 CA ALA A 48 -0.122 11.661 7.804 1.00 0.00 C ATOM 807 C ALA A 48 -1.330 10.764 7.861 1.00 0.00 C ATOM 808 O ALA A 48 -1.676 10.249 8.929 1.00 0.00 O ATOM 809 CB ALA A 48 1.011 10.990 7.040 1.00 0.00 C ATOM 0 H ALA A 48 0.389 11.270 9.801 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.393 12.570 7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.666 10.717 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.852 11.679 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.328 10.093 7.573 1.00 0.00 H new ATOM 815 N ILE A 49 -1.968 10.579 6.736 1.00 0.00 N ATOM 816 CA ILE A 49 -3.141 9.734 6.651 1.00 0.00 C ATOM 817 C ILE A 49 -2.709 8.284 6.486 1.00 0.00 C ATOM 818 O ILE A 49 -1.817 7.971 5.680 1.00 0.00 O ATOM 819 CB ILE A 49 -4.068 10.153 5.460 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.531 11.616 5.608 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.278 9.219 5.321 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.290 11.909 6.892 1.00 0.00 C ATOM 0 H ILE A 49 -1.694 11.007 5.851 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.712 9.850 7.572 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.477 10.066 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.658 12.267 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.166 11.871 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.895 9.545 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.933 8.201 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.867 9.247 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.577 12.960 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.184 11.287 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.653 11.690 7.749 1.00 0.00 H new ATOM 834 N VAL A 50 -3.294 7.419 7.277 1.00 0.00 N ATOM 835 CA VAL A 50 -3.006 6.017 7.208 1.00 0.00 C ATOM 836 C VAL A 50 -4.248 5.263 6.759 1.00 0.00 C ATOM 837 O VAL A 50 -5.366 5.587 7.177 1.00 0.00 O ATOM 838 CB VAL A 50 -2.452 5.438 8.556 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.147 6.124 8.939 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.466 5.561 9.693 1.00 0.00 C ATOM 0 H VAL A 50 -3.983 7.672 7.985 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.211 5.881 6.475 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.263 4.376 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.779 5.708 9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.407 5.962 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.320 7.193 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.040 5.147 10.607 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.711 6.611 9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.371 5.012 9.434 1.00 0.00 H new ATOM 850 N ILE A 51 -4.073 4.327 5.869 1.00 0.00 N ATOM 851 CA ILE A 51 -5.180 3.534 5.369 1.00 0.00 C ATOM 852 C ILE A 51 -4.997 2.081 5.814 1.00 0.00 C ATOM 853 O ILE A 51 -3.881 1.578 5.841 1.00 0.00 O ATOM 854 CB ILE A 51 -5.300 3.636 3.811 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.458 5.109 3.381 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.473 2.803 3.293 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.526 5.323 1.878 1.00 0.00 C ATOM 0 H ILE A 51 -3.167 4.087 5.466 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.110 3.923 5.784 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.384 3.237 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.364 5.511 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.621 5.682 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.532 2.893 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.324 1.758 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.400 3.164 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.637 6.387 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.610 4.955 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.380 4.781 1.472 1.00 0.00 H new ATOM 869 N LYS A 52 -6.079 1.437 6.187 1.00 0.00 N ATOM 870 CA LYS A 52 -6.063 0.068 6.685 1.00 0.00 C ATOM 871 C LYS A 52 -5.763 -0.904 5.530 1.00 0.00 C ATOM 872 O LYS A 52 -6.291 -0.727 4.447 1.00 0.00 O ATOM 873 CB LYS A 52 -7.453 -0.202 7.273 1.00 0.00 C ATOM 874 CG LYS A 52 -7.650 -1.512 7.997 1.00 0.00 C ATOM 875 CD LYS A 52 -9.065 -1.584 8.542 1.00 0.00 C ATOM 876 CE LYS A 52 -9.301 -2.829 9.365 1.00 0.00 C ATOM 877 NZ LYS A 52 -10.657 -2.842 9.941 1.00 0.00 N ATOM 0 H LYS A 52 -7.011 1.849 6.155 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.291 -0.073 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.691 0.606 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.179 -0.151 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.468 -2.345 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.931 -1.601 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.261 -0.704 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.773 -1.560 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.160 -3.712 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.563 -2.883 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.788 -3.709 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.781 -2.012 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.360 -2.814 9.175 1.00 0.00 H new ATOM 891 N MET A 53 -4.956 -1.945 5.786 1.00 0.00 N ATOM 892 CA MET A 53 -4.561 -2.931 4.744 1.00 0.00 C ATOM 893 C MET A 53 -5.774 -3.634 4.169 1.00 0.00 C ATOM 894 O MET A 53 -5.855 -3.891 2.970 1.00 0.00 O ATOM 895 CB MET A 53 -3.595 -3.988 5.300 1.00 0.00 C ATOM 896 CG MET A 53 -2.253 -3.452 5.755 1.00 0.00 C ATOM 897 SD MET A 53 -1.190 -4.729 6.487 1.00 0.00 S ATOM 898 CE MET A 53 -1.000 -5.872 5.116 1.00 0.00 C ATOM 0 H MET A 53 -4.558 -2.134 6.706 1.00 0.00 H new ATOM 0 HA MET A 53 -4.058 -2.368 3.958 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.074 -4.489 6.141 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.426 -4.744 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.740 -3.004 4.904 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.413 -2.658 6.485 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.163 -6.542 5.314 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.913 -6.456 5.000 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.809 -5.313 4.200 1.00 0.00 H new ATOM 908 N ASP A 54 -6.728 -3.888 5.041 1.00 0.00 N ATOM 909 CA ASP A 54 -7.995 -4.564 4.714 1.00 0.00 C ATOM 910 C ASP A 54 -8.813 -3.758 3.680 1.00 0.00 C ATOM 911 O ASP A 54 -9.674 -4.297 2.970 1.00 0.00 O ATOM 912 CB ASP A 54 -8.795 -4.728 6.018 1.00 0.00 C ATOM 913 CG ASP A 54 -10.127 -5.426 5.861 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.178 -6.672 5.961 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.161 -4.735 5.699 1.00 0.00 O ATOM 0 H ASP A 54 -6.655 -3.629 6.025 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.785 -5.536 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.190 -5.287 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.966 -3.742 6.449 1.00 0.00 H new ATOM 920 N ASN A 55 -8.499 -2.482 3.573 1.00 0.00 N ATOM 921 CA ASN A 55 -9.208 -1.567 2.694 1.00 0.00 C ATOM 922 C ASN A 55 -8.633 -1.612 1.270 1.00 0.00 C ATOM 923 O ASN A 55 -9.319 -1.266 0.304 1.00 0.00 O ATOM 924 CB ASN A 55 -9.113 -0.134 3.268 1.00 0.00 C ATOM 925 CG ASN A 55 -9.904 0.915 2.496 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.073 1.156 2.789 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.277 1.573 1.552 1.00 0.00 N ATOM 0 H ASN A 55 -7.740 -2.046 4.096 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.254 -1.870 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.463 -0.147 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.065 0.165 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.760 2.309 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.306 1.349 1.333 1.00 0.00 H new ATOM 934 N LEU A 56 -7.398 -2.075 1.134 1.00 0.00 N ATOM 935 CA LEU A 56 -6.718 -2.069 -0.165 1.00 0.00 C ATOM 936 C LEU A 56 -7.198 -3.180 -1.087 1.00 0.00 C ATOM 937 O LEU A 56 -7.496 -4.291 -0.629 1.00 0.00 O ATOM 938 CB LEU A 56 -5.173 -2.094 -0.037 1.00 0.00 C ATOM 939 CG LEU A 56 -4.477 -0.772 0.345 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.765 0.326 -0.670 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.873 -0.325 1.725 1.00 0.00 C ATOM 0 H LEU A 56 -6.844 -2.459 1.900 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.993 -1.119 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.908 -2.843 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.760 -2.431 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.404 -0.963 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.258 1.243 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.404 0.018 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.839 0.504 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.366 0.609 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.952 -0.172 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.589 -1.088 2.450 1.00 0.00 H new ATOM 953 N PRO A 57 -7.313 -2.884 -2.396 1.00 0.00 N ATOM 954 CA PRO A 57 -7.746 -3.851 -3.407 1.00 0.00 C ATOM 955 C PRO A 57 -6.810 -5.052 -3.544 1.00 0.00 C ATOM 956 O PRO A 57 -5.640 -5.024 -3.103 1.00 0.00 O ATOM 957 CB PRO A 57 -7.752 -3.045 -4.699 1.00 0.00 C ATOM 958 CG PRO A 57 -7.850 -1.635 -4.269 1.00 0.00 C ATOM 959 CD PRO A 57 -7.071 -1.561 -3.005 1.00 0.00 C ATOM 0 HA PRO A 57 -8.711 -4.282 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.845 -3.219 -5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.593 -3.323 -5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.441 -0.963 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.888 -1.342 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.011 -1.389 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.417 -0.751 -2.363 1.00 0.00 H new ATOM 967 N ILE A 58 -7.318 -6.085 -4.189 1.00 0.00 N ATOM 968 CA ILE A 58 -6.623 -7.347 -4.329 1.00 0.00 C ATOM 969 C ILE A 58 -5.275 -7.267 -5.061 1.00 0.00 C ATOM 970 O ILE A 58 -4.344 -7.990 -4.707 1.00 0.00 O ATOM 971 CB ILE A 58 -7.549 -8.504 -4.862 1.00 0.00 C ATOM 972 CG1 ILE A 58 -8.315 -8.140 -6.166 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.535 -8.929 -3.782 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.472 -8.039 -7.421 1.00 0.00 C ATOM 0 H ILE A 58 -8.235 -6.070 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.352 -7.616 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.886 -9.332 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.089 -8.889 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.821 -7.187 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.169 -9.729 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.988 -9.284 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.155 -8.078 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.109 -7.781 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.714 -7.267 -7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.986 -8.996 -7.611 1.00 0.00 H new ATOM 986 N GLU A 59 -5.151 -6.388 -6.047 1.00 0.00 N ATOM 987 CA GLU A 59 -3.909 -6.263 -6.755 1.00 0.00 C ATOM 988 C GLU A 59 -2.873 -5.459 -5.982 1.00 0.00 C ATOM 989 O GLU A 59 -1.674 -5.732 -6.063 1.00 0.00 O ATOM 990 CB GLU A 59 -4.089 -5.842 -8.239 1.00 0.00 C ATOM 991 CG GLU A 59 -5.162 -4.788 -8.554 1.00 0.00 C ATOM 992 CD GLU A 59 -4.976 -3.469 -7.871 1.00 0.00 C ATOM 993 OE1 GLU A 59 -4.273 -2.580 -8.418 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.550 -3.293 -6.795 1.00 0.00 O ATOM 0 H GLU A 59 -5.893 -5.763 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.486 -7.265 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.132 -5.465 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.318 -6.737 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.181 -4.622 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.136 -5.190 -8.276 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.334 -4.507 -5.196 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.445 -3.750 -4.333 1.00 0.00 C ATOM 1003 C VAL A 60 -1.883 -4.672 -3.246 1.00 0.00 C ATOM 1004 O VAL A 60 -0.667 -4.741 -3.051 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.144 -2.522 -3.679 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.164 -1.734 -2.817 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.750 -1.621 -4.739 1.00 0.00 C ATOM 0 H VAL A 60 -4.316 -4.238 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.638 -3.361 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.944 -2.894 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.676 -0.881 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.775 -2.377 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.339 -1.379 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.233 -0.769 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.965 -1.265 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.488 -2.181 -5.314 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.772 -5.429 -2.585 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.355 -6.367 -1.532 1.00 0.00 C ATOM 1019 C LYS A 61 -1.380 -7.401 -2.078 1.00 0.00 C ATOM 1020 O LYS A 61 -0.400 -7.765 -1.408 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.547 -7.074 -0.881 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.508 -6.160 -0.130 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.533 -6.968 0.673 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.427 -7.829 -0.213 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.301 -8.712 0.587 1.00 0.00 N ATOM 0 H LYS A 61 -3.777 -5.411 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.857 -5.773 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.103 -7.603 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.170 -7.827 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.946 -5.512 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.026 -5.513 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.009 -7.607 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.153 -6.285 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.040 -7.187 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.808 -8.433 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.894 -9.282 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.716 -9.342 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.909 -8.134 1.202 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.646 -7.844 -3.302 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.797 -8.798 -4.027 1.00 0.00 C ATOM 1041 C ASP A 62 0.638 -8.309 -4.087 1.00 0.00 C ATOM 1042 O ASP A 62 1.581 -9.029 -3.719 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.343 -8.989 -5.466 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.437 -9.795 -6.400 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.407 -11.059 -6.287 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.225 -9.182 -7.282 1.00 0.00 O ATOM 0 H ASP A 62 -2.467 -7.550 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.815 -9.750 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.312 -9.484 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.513 -8.007 -5.907 1.00 0.00 H new ATOM 1051 N LYS A 63 0.797 -7.071 -4.468 1.00 0.00 N ATOM 1052 CA LYS A 63 2.115 -6.521 -4.697 1.00 0.00 C ATOM 1053 C LYS A 63 2.778 -6.014 -3.417 1.00 0.00 C ATOM 1054 O LYS A 63 4.015 -6.034 -3.309 1.00 0.00 O ATOM 1055 CB LYS A 63 2.040 -5.503 -5.821 1.00 0.00 C ATOM 1056 CG LYS A 63 1.320 -6.142 -6.991 1.00 0.00 C ATOM 1057 CD LYS A 63 1.211 -5.304 -8.221 1.00 0.00 C ATOM 1058 CE LYS A 63 0.242 -5.980 -9.188 1.00 0.00 C ATOM 1059 NZ LYS A 63 0.547 -7.431 -9.374 1.00 0.00 N ATOM 0 H LYS A 63 0.030 -6.418 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 63 2.787 -7.315 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.510 -4.610 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.041 -5.188 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.835 -7.067 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.315 -6.415 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.857 -4.305 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.190 -5.187 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.776 -5.870 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.284 -5.475 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.070 -7.779 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.574 -7.560 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.209 -7.965 -8.548 1.00 0.00 H new ATOM 1073 N LEU A 64 1.969 -5.604 -2.437 1.00 0.00 N ATOM 1074 CA LEU A 64 2.487 -5.260 -1.104 1.00 0.00 C ATOM 1075 C LEU A 64 3.141 -6.497 -0.501 1.00 0.00 C ATOM 1076 O LEU A 64 4.271 -6.453 0.026 1.00 0.00 O ATOM 1077 CB LEU A 64 1.354 -4.794 -0.165 1.00 0.00 C ATOM 1078 CG LEU A 64 0.691 -3.442 -0.460 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.514 -3.245 0.451 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.678 -2.310 -0.233 1.00 0.00 C ATOM 0 H LEU A 64 0.959 -5.502 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 64 3.205 -4.447 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.576 -5.558 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.753 -4.757 0.849 1.00 0.00 H new ATOM 0 HG LEU A 64 0.369 -3.435 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.979 -2.283 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.235 -4.044 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.191 -3.267 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.194 -1.357 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.014 -2.323 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.536 -2.437 -0.894 1.00 0.00 H new ATOM 1092 N THR A 65 2.441 -7.609 -0.625 1.00 0.00 N ATOM 1093 CA THR A 65 2.902 -8.873 -0.126 1.00 0.00 C ATOM 1094 C THR A 65 4.209 -9.294 -0.813 1.00 0.00 C ATOM 1095 O THR A 65 5.156 -9.691 -0.145 1.00 0.00 O ATOM 1096 CB THR A 65 1.819 -9.961 -0.308 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.611 -9.529 0.346 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.267 -11.292 0.291 1.00 0.00 C ATOM 0 H THR A 65 1.529 -7.651 -1.080 1.00 0.00 H new ATOM 0 HA THR A 65 3.101 -8.760 0.940 1.00 0.00 H new ATOM 0 HB THR A 65 1.647 -10.107 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.105 -8.943 -0.255 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.485 -12.037 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.180 -11.624 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.457 -11.166 1.357 1.00 0.00 H new ATOM 1106 N ARG A 66 4.261 -9.131 -2.129 1.00 0.00 N ATOM 1107 CA ARG A 66 5.421 -9.532 -2.932 1.00 0.00 C ATOM 1108 C ARG A 66 6.690 -8.740 -2.631 1.00 0.00 C ATOM 1109 O ARG A 66 7.794 -9.268 -2.772 1.00 0.00 O ATOM 1110 CB ARG A 66 5.112 -9.464 -4.426 1.00 0.00 C ATOM 1111 CG ARG A 66 4.197 -10.564 -4.920 1.00 0.00 C ATOM 1112 CD ARG A 66 3.942 -10.442 -6.412 1.00 0.00 C ATOM 1113 NE ARG A 66 3.257 -11.623 -6.941 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.698 -11.724 -8.157 1.00 0.00 C ATOM 1115 NH1 ARG A 66 2.688 -10.687 -8.997 1.00 0.00 N ATOM 1116 NH2 ARG A 66 2.167 -12.869 -8.532 1.00 0.00 N ATOM 0 H ARG A 66 3.504 -8.718 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 66 5.620 -10.564 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.655 -8.500 -4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.049 -9.508 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.642 -11.535 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.250 -10.521 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.341 -9.554 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.889 -10.306 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 66 3.200 -12.440 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.109 -9.801 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.259 -10.781 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.183 -13.670 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.740 -12.955 -9.454 1.00 0.00 H new ATOM 1130 N PHE A 67 6.551 -7.496 -2.227 1.00 0.00 N ATOM 1131 CA PHE A 67 7.726 -6.675 -2.001 1.00 0.00 C ATOM 1132 C PHE A 67 8.320 -6.864 -0.615 1.00 0.00 C ATOM 1133 O PHE A 67 9.499 -7.222 -0.482 1.00 0.00 O ATOM 1134 CB PHE A 67 7.431 -5.189 -2.249 1.00 0.00 C ATOM 1135 CG PHE A 67 8.652 -4.292 -2.167 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.529 -4.215 -3.233 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.918 -3.524 -1.033 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.642 -3.398 -3.181 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.029 -2.709 -0.978 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.892 -2.645 -2.053 1.00 0.00 C ATOM 0 H PHE A 67 5.658 -7.036 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 67 8.469 -7.013 -2.724 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.979 -5.079 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.695 -4.849 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.341 -4.802 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.246 -3.568 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.316 -3.349 -4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.224 -2.121 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.762 -2.006 -2.011 1.00 0.00 H new ATOM 1150 N PHE A 68 7.530 -6.644 0.411 1.00 0.00 N ATOM 1151 CA PHE A 68 8.092 -6.611 1.749 1.00 0.00 C ATOM 1152 C PHE A 68 7.609 -7.715 2.677 1.00 0.00 C ATOM 1153 O PHE A 68 8.386 -8.209 3.495 1.00 0.00 O ATOM 1154 CB PHE A 68 7.890 -5.222 2.398 1.00 0.00 C ATOM 1155 CG PHE A 68 6.451 -4.767 2.469 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.633 -5.162 3.515 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.917 -3.951 1.483 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.323 -4.758 3.573 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.608 -3.544 1.541 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.809 -3.948 2.584 1.00 0.00 C ATOM 0 H PHE A 68 6.524 -6.489 0.354 1.00 0.00 H new ATOM 0 HA PHE A 68 9.156 -6.802 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.301 -5.243 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.463 -4.485 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.031 -5.795 4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.539 -3.632 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.695 -5.075 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.206 -2.907 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.778 -3.630 2.628 1.00 0.00 H new ATOM 1170 N LEU A 69 6.358 -8.115 2.567 1.00 0.00 N ATOM 1171 CA LEU A 69 5.811 -9.038 3.549 1.00 0.00 C ATOM 1172 C LEU A 69 6.276 -10.460 3.295 1.00 0.00 C ATOM 1173 O LEU A 69 7.146 -10.959 4.016 1.00 0.00 O ATOM 1174 CB LEU A 69 4.278 -8.953 3.572 1.00 0.00 C ATOM 1175 CG LEU A 69 3.556 -9.797 4.630 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.945 -9.363 6.039 1.00 0.00 C ATOM 1177 CD2 LEU A 69 2.054 -9.701 4.437 1.00 0.00 C ATOM 0 H LEU A 69 5.714 -7.827 1.830 1.00 0.00 H new ATOM 0 HA LEU A 69 6.185 -8.745 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.997 -7.910 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.906 -9.247 2.591 1.00 0.00 H new ATOM 0 HG LEU A 69 3.861 -10.836 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.418 -9.979 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.020 -9.483 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.675 -8.317 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.551 -10.304 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.740 -8.662 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.790 -10.069 3.445 1.00 0.00 H new