USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 79 SER OG : rot 180:sc= 0.384 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.0293 K(o=0.35,f=-0.81) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -118:sc= 0 (180deg=-0.0463) USER MOD Single : A 14 ASN : amide:sc=-0.00121 X(o=-0.0012,f=-0.14) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.107 F(o=-1.3,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= -0.608 (180deg=-3.13!) USER MOD Single : A 20 SER OG : rot 72:sc= 0.208 USER MOD Single : A 21 GLN : amide:sc= -0.0978 K(o=-0.098,f=-0.81) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.11! C(o=-5!,f=-4.1!) USER MOD Single : A 30 ASN : amide:sc= -3.64 K(o=-3.6,f=-6.8!) USER MOD Single : A 31 HIS : no HE2:sc= -5.63! C(o=-5.6!,f=-8.6!) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0224 (180deg=-0.106) USER MOD Single : A 38 MET CE :methyl 129:sc= -0.187 (180deg=-1.34) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.346 K(o=-0.35,f=-3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.757 F(o=-1.9!,f=-0.76) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.842 K(o=-0.84,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= -0.561! (180deg=-2.13!) USER MOD Single : A 55 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-5.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.661 F(o=-1.6!,f=-0.66) USER MOD Single : A 64 GLN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0646 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.92! C(o=-3.4!,f=-2.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.668! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.169 -7.166 -6.616 1.00 0.00 N ATOM 60 CA GLY A 7 -12.315 -6.110 -7.131 1.00 0.00 C ATOM 61 C GLY A 7 -11.094 -5.905 -6.233 1.00 0.00 C ATOM 62 O GLY A 7 -11.233 -5.671 -5.034 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.990 -6.360 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.881 -5.181 -7.199 1.00 0.00 H new ATOM 66 N PRO A 8 -9.893 -6.002 -6.865 1.00 0.00 N ATOM 67 CA PRO A 8 -8.648 -5.829 -6.136 1.00 0.00 C ATOM 68 C PRO A 8 -8.400 -4.354 -5.816 1.00 0.00 C ATOM 69 O PRO A 8 -8.961 -3.472 -6.463 1.00 0.00 O ATOM 70 CB PRO A 8 -7.580 -6.431 -7.035 1.00 0.00 C ATOM 71 CG PRO A 8 -8.193 -6.496 -8.425 1.00 0.00 C ATOM 72 CD PRO A 8 -9.690 -6.277 -8.284 1.00 0.00 C ATOM 0 HA PRO A 8 -8.657 -6.323 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.678 -5.819 -7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.292 -7.423 -6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.755 -5.735 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.990 -7.462 -8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.028 -5.444 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.250 -7.157 -8.601 1.00 0.00 H new ATOM 80 N LYS A 9 -7.557 -4.132 -4.818 1.00 0.00 N ATOM 81 CA LYS A 9 -7.227 -2.779 -4.404 1.00 0.00 C ATOM 82 C LYS A 9 -5.723 -2.552 -4.567 1.00 0.00 C ATOM 83 O LYS A 9 -4.917 -3.224 -3.924 1.00 0.00 O ATOM 84 CB LYS A 9 -7.739 -2.512 -2.987 1.00 0.00 C ATOM 85 CG LYS A 9 -8.893 -1.507 -3.001 1.00 0.00 C ATOM 86 CD LYS A 9 -9.837 -1.739 -1.819 1.00 0.00 C ATOM 87 CE LYS A 9 -10.064 -0.444 -1.036 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.027 -0.705 0.420 1.00 0.00 N ATOM 0 H LYS A 9 -7.093 -4.867 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.730 -2.053 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.071 -3.446 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.927 -2.130 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.497 -0.492 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.446 -1.596 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.791 -2.121 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.419 -2.499 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.299 0.286 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.026 -0.011 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.183 0.184 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.773 -1.385 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.099 -1.098 0.679 1.00 0.00 H new ATOM 102 N LYS A 10 -5.390 -1.604 -5.431 1.00 0.00 N ATOM 103 CA LYS A 10 -3.996 -1.281 -5.686 1.00 0.00 C ATOM 104 C LYS A 10 -3.222 -1.303 -4.367 1.00 0.00 C ATOM 105 O LYS A 10 -3.481 -0.495 -3.477 1.00 0.00 O ATOM 106 CB LYS A 10 -3.884 0.044 -6.443 1.00 0.00 C ATOM 107 CG LYS A 10 -2.772 -0.017 -7.492 1.00 0.00 C ATOM 108 CD LYS A 10 -3.319 -0.475 -8.846 1.00 0.00 C ATOM 109 CE LYS A 10 -4.159 0.626 -9.498 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.441 1.211 -10.652 1.00 0.00 N ATOM 0 H LYS A 10 -6.061 -1.050 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.543 -2.032 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.834 0.272 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.682 0.853 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.311 0.965 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.992 -0.702 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.493 -0.745 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.926 -1.370 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.114 0.216 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.380 1.404 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.025 1.956 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.541 1.620 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.252 0.469 -11.356 1.00 0.00 H new ATOM 124 N PRO A 11 -2.261 -2.262 -4.281 1.00 0.00 N ATOM 125 CA PRO A 11 -1.447 -2.400 -3.085 1.00 0.00 C ATOM 126 C PRO A 11 -0.396 -1.291 -3.006 1.00 0.00 C ATOM 127 O PRO A 11 -0.232 -0.519 -3.949 1.00 0.00 O ATOM 128 CB PRO A 11 -0.838 -3.790 -3.182 1.00 0.00 C ATOM 129 CG PRO A 11 -0.959 -4.197 -4.642 1.00 0.00 C ATOM 130 CD PRO A 11 -1.926 -3.237 -5.315 1.00 0.00 C ATOM 0 HA PRO A 11 -2.026 -2.296 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.204 -3.783 -2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.364 -4.493 -2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.015 -4.162 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.320 -5.222 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.469 -2.756 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.815 -3.756 -5.672 1.00 0.00 H new ATOM 138 N PRO A 12 0.307 -1.247 -1.843 1.00 0.00 N ATOM 139 CA PRO A 12 1.337 -0.245 -1.629 1.00 0.00 C ATOM 140 C PRO A 12 2.603 -0.582 -2.420 1.00 0.00 C ATOM 141 O PRO A 12 2.575 -1.433 -3.308 1.00 0.00 O ATOM 142 CB PRO A 12 1.563 -0.229 -0.126 1.00 0.00 C ATOM 143 CG PRO A 12 0.993 -1.538 0.396 1.00 0.00 C ATOM 144 CD PRO A 12 0.139 -2.146 -0.704 1.00 0.00 C ATOM 0 HA PRO A 12 1.044 0.742 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.624 -0.144 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.066 0.625 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.796 -2.219 0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.396 -1.364 1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.466 -3.157 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.906 -2.213 -0.403 1.00 0.00 H new ATOM 152 N MET A 13 3.681 0.102 -2.070 1.00 0.00 N ATOM 153 CA MET A 13 4.954 -0.114 -2.736 1.00 0.00 C ATOM 154 C MET A 13 6.059 -0.418 -1.722 1.00 0.00 C ATOM 155 O MET A 13 6.516 -1.556 -1.620 1.00 0.00 O ATOM 156 CB MET A 13 5.328 1.133 -3.540 1.00 0.00 C ATOM 157 CG MET A 13 4.515 1.216 -4.833 1.00 0.00 C ATOM 158 SD MET A 13 5.551 0.824 -6.232 1.00 0.00 S ATOM 159 CE MET A 13 6.485 2.340 -6.361 1.00 0.00 C ATOM 0 H MET A 13 3.700 0.807 -1.333 1.00 0.00 H new ATOM 0 HA MET A 13 4.853 -0.970 -3.403 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.152 2.024 -2.938 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.392 1.112 -3.776 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.674 0.525 -4.788 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.099 2.217 -4.947 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.287 2.808 -7.325 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.190 3.018 -5.561 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.549 2.120 -6.276 1.00 0.00 H new ATOM 169 N ASN A 14 6.456 0.618 -0.999 1.00 0.00 N ATOM 170 CA ASN A 14 7.499 0.476 0.004 1.00 0.00 C ATOM 171 C ASN A 14 6.870 0.042 1.329 1.00 0.00 C ATOM 172 O ASN A 14 5.650 -0.083 1.431 1.00 0.00 O ATOM 173 CB ASN A 14 8.224 1.802 0.236 1.00 0.00 C ATOM 174 CG ASN A 14 9.260 2.060 -0.860 1.00 0.00 C ATOM 175 OD1 ASN A 14 10.102 1.230 -1.163 1.00 0.00 O ATOM 176 ND2 ASN A 14 9.152 3.254 -1.437 1.00 0.00 N ATOM 0 H ASN A 14 6.075 1.560 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 14 8.212 -0.267 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.501 2.617 0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.715 1.787 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.797 3.521 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.424 3.902 -1.136 1.00 0.00 H new ATOM 183 N GLY A 15 7.731 -0.176 2.313 1.00 0.00 N ATOM 184 CA GLY A 15 7.275 -0.592 3.628 1.00 0.00 C ATOM 185 C GLY A 15 6.519 0.537 4.329 1.00 0.00 C ATOM 186 O GLY A 15 5.582 0.286 5.086 1.00 0.00 O ATOM 0 H GLY A 15 8.742 -0.072 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.628 -1.464 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.129 -0.894 4.234 1.00 0.00 H new ATOM 190 N TYR A 16 6.954 1.758 4.054 1.00 0.00 N ATOM 191 CA TYR A 16 6.329 2.927 4.649 1.00 0.00 C ATOM 192 C TYR A 16 4.864 3.042 4.225 1.00 0.00 C ATOM 193 O TYR A 16 3.963 2.911 5.052 1.00 0.00 O ATOM 194 CB TYR A 16 7.099 4.136 4.112 1.00 0.00 C ATOM 195 CG TYR A 16 6.554 5.483 4.591 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.294 5.685 5.931 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.323 6.496 3.683 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.782 6.953 6.382 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.811 7.764 4.133 1.00 0.00 C ATOM 200 CZ TYR A 16 5.565 7.930 5.461 1.00 0.00 C ATOM 201 OH TYR A 16 5.081 9.128 5.886 1.00 0.00 O ATOM 0 H TYR A 16 7.732 1.963 3.427 1.00 0.00 H new ATOM 0 HA TYR A 16 6.355 2.864 5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.144 4.051 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.077 4.113 3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.475 4.892 6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.526 6.338 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.575 7.124 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.626 8.565 3.433 1.00 0.00 H new ATOM 0 HH TYR A 16 4.977 9.729 5.119 1.00 0.00 H new ATOM 211 N GLN A 17 4.670 3.285 2.937 1.00 0.00 N ATOM 212 CA GLN A 17 3.330 3.419 2.394 1.00 0.00 C ATOM 213 C GLN A 17 2.418 2.326 2.956 1.00 0.00 C ATOM 214 O GLN A 17 1.213 2.531 3.098 1.00 0.00 O ATOM 215 CB GLN A 17 3.352 3.381 0.864 1.00 0.00 C ATOM 216 CG GLN A 17 3.909 4.685 0.292 1.00 0.00 C ATOM 217 CD GLN A 17 3.593 4.809 -1.200 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.652 3.657 -1.863 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.313 5.879 -1.715 1.00 0.00 N flip ATOM 0 H GLN A 17 5.420 3.393 2.254 1.00 0.00 H new ATOM 0 HA GLN A 17 2.932 4.388 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.961 2.542 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.343 3.215 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.484 5.533 0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.988 4.721 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.285 6.726 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.106 5.926 -2.713 1.00 0.00 H new ATOM 228 N LYS A 18 3.027 1.190 3.261 1.00 0.00 N ATOM 229 CA LYS A 18 2.285 0.065 3.804 1.00 0.00 C ATOM 230 C LYS A 18 1.838 0.396 5.230 1.00 0.00 C ATOM 231 O LYS A 18 0.642 0.425 5.518 1.00 0.00 O ATOM 232 CB LYS A 18 3.109 -1.220 3.701 1.00 0.00 C ATOM 233 CG LYS A 18 2.385 -2.390 4.370 1.00 0.00 C ATOM 234 CD LYS A 18 1.697 -3.277 3.330 1.00 0.00 C ATOM 235 CE LYS A 18 0.627 -4.156 3.981 1.00 0.00 C ATOM 236 NZ LYS A 18 0.486 -5.432 3.244 1.00 0.00 N ATOM 0 H LYS A 18 4.026 1.024 3.142 1.00 0.00 H new ATOM 0 HA LYS A 18 1.383 -0.115 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.295 -1.454 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.081 -1.072 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.097 -2.982 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.646 -2.010 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.242 -2.654 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.438 -3.905 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.894 -4.356 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.327 -3.629 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.523 -5.637 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.964 -5.356 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.917 -6.201 3.796 1.00 0.00 H new ATOM 250 N PHE A 19 2.822 0.636 6.084 1.00 0.00 N ATOM 251 CA PHE A 19 2.544 0.964 7.472 1.00 0.00 C ATOM 252 C PHE A 19 1.595 2.159 7.574 1.00 0.00 C ATOM 253 O PHE A 19 0.638 2.133 8.346 1.00 0.00 O ATOM 254 CB PHE A 19 3.881 1.331 8.120 1.00 0.00 C ATOM 255 CG PHE A 19 3.744 2.161 9.399 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.183 1.611 10.509 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.185 3.447 9.425 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.057 2.381 11.696 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.058 4.217 10.612 1.00 0.00 C ATOM 260 CZ PHE A 19 3.497 3.667 11.722 1.00 0.00 C ATOM 0 H PHE A 19 3.812 0.610 5.842 1.00 0.00 H new ATOM 0 HA PHE A 19 2.070 0.116 7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.426 0.415 8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.482 1.887 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.833 0.589 10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.632 3.883 8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.612 1.945 12.578 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.407 5.239 10.633 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.401 4.252 12.625 1.00 0.00 H new ATOM 270 N SER A 20 1.893 3.180 6.784 1.00 0.00 N ATOM 271 CA SER A 20 1.079 4.383 6.776 1.00 0.00 C ATOM 272 C SER A 20 -0.392 4.018 6.567 1.00 0.00 C ATOM 273 O SER A 20 -1.239 4.336 7.401 1.00 0.00 O ATOM 274 CB SER A 20 1.543 5.355 5.689 1.00 0.00 C ATOM 275 OG SER A 20 2.919 5.697 5.831 1.00 0.00 O ATOM 0 H SER A 20 2.688 3.199 6.145 1.00 0.00 H new ATOM 0 HA SER A 20 1.191 4.878 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.380 4.907 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.938 6.261 5.730 1.00 0.00 H new ATOM 0 HG SER A 20 3.474 4.931 5.576 1.00 0.00 H new ATOM 281 N GLN A 21 -0.652 3.353 5.451 1.00 0.00 N ATOM 282 CA GLN A 21 -2.006 2.941 5.122 1.00 0.00 C ATOM 283 C GLN A 21 -2.685 2.325 6.347 1.00 0.00 C ATOM 284 O GLN A 21 -3.889 2.484 6.539 1.00 0.00 O ATOM 285 CB GLN A 21 -2.011 1.965 3.944 1.00 0.00 C ATOM 286 CG GLN A 21 -2.404 2.675 2.647 1.00 0.00 C ATOM 287 CD GLN A 21 -3.179 1.735 1.721 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.023 0.962 2.143 1.00 0.00 O ATOM 289 NE2 GLN A 21 -2.846 1.844 0.438 1.00 0.00 N ATOM 0 H GLN A 21 0.053 3.089 4.763 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.571 3.824 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.023 1.518 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.709 1.152 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.013 3.549 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.509 3.035 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.130 2.512 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.306 1.260 -0.260 1.00 0.00 H new ATOM 298 N GLU A 22 -1.882 1.635 7.145 1.00 0.00 N ATOM 299 CA GLU A 22 -2.391 0.995 8.346 1.00 0.00 C ATOM 300 C GLU A 22 -2.918 2.046 9.325 1.00 0.00 C ATOM 301 O GLU A 22 -3.979 1.868 9.920 1.00 0.00 O ATOM 302 CB GLU A 22 -1.315 0.125 9.001 1.00 0.00 C ATOM 303 CG GLU A 22 -1.919 -1.165 9.559 1.00 0.00 C ATOM 304 CD GLU A 22 -1.188 -2.393 9.013 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.129 -2.512 7.770 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.705 -3.186 9.850 1.00 0.00 O ATOM 0 H GLU A 22 -0.883 1.506 6.983 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.218 0.343 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.543 -0.117 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.831 0.681 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.861 -1.157 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.975 -1.220 9.296 1.00 0.00 H new ATOM 313 N LEU A 23 -2.151 3.118 9.462 1.00 0.00 N ATOM 314 CA LEU A 23 -2.527 4.197 10.359 1.00 0.00 C ATOM 315 C LEU A 23 -3.744 4.929 9.788 1.00 0.00 C ATOM 316 O LEU A 23 -4.542 5.491 10.536 1.00 0.00 O ATOM 317 CB LEU A 23 -1.331 5.111 10.629 1.00 0.00 C ATOM 318 CG LEU A 23 -0.172 4.487 11.409 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.176 4.947 10.850 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.300 4.775 12.906 1.00 0.00 C ATOM 0 H LEU A 23 -1.271 3.262 8.967 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.820 3.799 11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.949 5.468 9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.683 5.985 11.177 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.220 3.405 11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.983 4.489 11.422 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.258 4.648 9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.249 6.032 10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.536 4.320 13.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.292 5.852 13.071 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.236 4.358 13.278 1.00 0.00 H new ATOM 332 N LEU A 24 -3.846 4.898 8.467 1.00 0.00 N ATOM 333 CA LEU A 24 -4.951 5.551 7.787 1.00 0.00 C ATOM 334 C LEU A 24 -6.211 4.695 7.931 1.00 0.00 C ATOM 335 O LEU A 24 -7.325 5.215 7.915 1.00 0.00 O ATOM 336 CB LEU A 24 -4.580 5.859 6.335 1.00 0.00 C ATOM 337 CG LEU A 24 -3.502 6.925 6.130 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.501 7.434 4.688 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.657 8.063 7.140 1.00 0.00 C ATOM 0 H LEU A 24 -3.181 4.431 7.850 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.165 6.515 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.244 4.936 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.481 6.176 5.810 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.530 6.466 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.725 8.191 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.305 6.604 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.472 7.871 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.878 8.807 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.635 8.528 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.568 7.666 8.151 1.00 0.00 H new ATOM 351 N SER A 25 -5.992 3.395 8.069 1.00 0.00 N ATOM 352 CA SER A 25 -7.095 2.461 8.216 1.00 0.00 C ATOM 353 C SER A 25 -7.354 2.186 9.699 1.00 0.00 C ATOM 354 O SER A 25 -8.445 1.760 10.074 1.00 0.00 O ATOM 355 CB SER A 25 -6.813 1.154 7.474 1.00 0.00 C ATOM 356 OG SER A 25 -8.006 0.555 6.975 1.00 0.00 O ATOM 0 H SER A 25 -5.066 2.967 8.082 1.00 0.00 H new ATOM 0 HA SER A 25 -7.985 2.911 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.131 1.347 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.311 0.457 8.145 1.00 0.00 H new ATOM 0 HG SER A 25 -7.783 -0.276 6.506 1.00 0.00 H new ATOM 362 N ASN A 26 -6.331 2.440 10.502 1.00 0.00 N ATOM 363 CA ASN A 26 -6.433 2.224 11.935 1.00 0.00 C ATOM 364 C ASN A 26 -7.247 3.359 12.560 1.00 0.00 C ATOM 365 O ASN A 26 -8.310 3.123 13.133 1.00 0.00 O ATOM 366 CB ASN A 26 -5.051 2.216 12.591 1.00 0.00 C ATOM 367 CG ASN A 26 -4.311 0.910 12.296 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.009 1.064 12.077 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.885 -0.166 12.268 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.427 2.793 10.187 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.914 1.260 12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.466 3.060 12.225 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.155 2.344 13.668 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.888 -0.214 12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.362 -1.018 12.067 1.00 0.00 H new ATOM 376 N GLY A 27 -6.717 4.566 12.429 1.00 0.00 N ATOM 377 CA GLY A 27 -7.381 5.738 12.974 1.00 0.00 C ATOM 378 C GLY A 27 -6.725 6.180 14.284 1.00 0.00 C ATOM 379 O GLY A 27 -7.377 6.783 15.136 1.00 0.00 O ATOM 0 H GLY A 27 -5.835 4.758 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.341 6.552 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.434 5.516 13.147 1.00 0.00 H new ATOM 383 N GLU A 28 -5.445 5.863 14.404 1.00 0.00 N ATOM 384 CA GLU A 28 -4.694 6.220 15.595 1.00 0.00 C ATOM 385 C GLU A 28 -4.426 7.727 15.623 1.00 0.00 C ATOM 386 O GLU A 28 -4.146 8.292 16.679 1.00 0.00 O ATOM 387 CB GLU A 28 -3.386 5.430 15.677 1.00 0.00 C ATOM 388 CG GLU A 28 -3.523 4.071 14.986 1.00 0.00 C ATOM 389 CD GLU A 28 -2.685 3.007 15.697 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.448 3.046 15.518 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.299 2.180 16.404 1.00 0.00 O ATOM 0 H GLU A 28 -4.908 5.362 13.696 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.293 5.960 16.468 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.583 6.000 15.210 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.109 5.285 16.721 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.570 3.768 14.977 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.206 4.154 13.946 1.00 0.00 H new ATOM 398 N LEU A 29 -4.521 8.333 14.449 1.00 0.00 N ATOM 399 CA LEU A 29 -4.292 9.763 14.324 1.00 0.00 C ATOM 400 C LEU A 29 -5.480 10.404 13.605 1.00 0.00 C ATOM 401 O LEU A 29 -5.303 11.305 12.787 1.00 0.00 O ATOM 402 CB LEU A 29 -2.946 10.034 13.650 1.00 0.00 C ATOM 403 CG LEU A 29 -1.994 8.840 13.548 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.008 9.022 12.393 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.281 8.593 14.879 1.00 0.00 C ATOM 0 H LEU A 29 -4.753 7.860 13.576 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.227 10.226 15.309 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.135 10.410 12.644 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.441 10.830 14.198 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.584 7.950 13.329 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.343 8.160 12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.558 9.111 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.419 9.925 12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.611 7.739 14.780 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.705 9.477 15.153 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.019 8.386 15.654 1.00 0.00 H new ATOM 417 N ASN A 30 -6.666 9.915 13.936 1.00 0.00 N ATOM 418 CA ASN A 30 -7.884 10.429 13.332 1.00 0.00 C ATOM 419 C ASN A 30 -8.342 11.673 14.097 1.00 0.00 C ATOM 420 O ASN A 30 -9.374 12.258 13.775 1.00 0.00 O ATOM 421 CB ASN A 30 -9.009 9.395 13.394 1.00 0.00 C ATOM 422 CG ASN A 30 -8.974 8.472 12.174 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.329 8.746 11.175 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.702 7.368 12.310 1.00 0.00 N ATOM 0 H ASN A 30 -6.810 9.168 14.615 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.669 10.666 12.290 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.914 8.804 14.305 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.972 9.903 13.443 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.745 6.688 11.551 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.218 7.201 13.174 1.00 0.00 H new ATOM 431 N HIS A 31 -7.551 12.039 15.095 1.00 0.00 N ATOM 432 CA HIS A 31 -7.862 13.202 15.909 1.00 0.00 C ATOM 433 C HIS A 31 -7.449 14.473 15.165 1.00 0.00 C ATOM 434 O HIS A 31 -8.017 15.541 15.391 1.00 0.00 O ATOM 435 CB HIS A 31 -7.217 13.087 17.291 1.00 0.00 C ATOM 436 CG HIS A 31 -5.720 12.890 17.255 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.131 11.665 16.993 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.700 13.773 17.450 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.816 11.816 17.032 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.550 13.124 17.316 1.00 0.00 N ATOM 0 H HIS A 31 -6.695 11.551 15.358 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.937 13.255 16.079 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.441 13.988 17.861 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.671 12.251 17.824 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -5.626 10.794 16.802 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.809 14.824 17.676 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.083 11.040 16.868 1.00 0.00 H new ATOM 448 N LEU A 32 -6.463 14.317 14.294 1.00 0.00 N ATOM 449 CA LEU A 32 -5.967 15.440 13.516 1.00 0.00 C ATOM 450 C LEU A 32 -6.346 15.243 12.047 1.00 0.00 C ATOM 451 O LEU A 32 -6.804 14.170 11.658 1.00 0.00 O ATOM 452 CB LEU A 32 -4.466 15.628 13.744 1.00 0.00 C ATOM 453 CG LEU A 32 -3.734 14.453 14.394 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.407 13.372 13.362 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.486 14.929 15.141 1.00 0.00 C ATOM 0 H LEU A 32 -5.994 13.430 14.110 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.434 16.368 13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.996 15.836 12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.321 16.510 14.367 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.398 14.003 15.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.887 12.548 13.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.331 13.004 12.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.770 13.793 12.584 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.985 14.074 15.594 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.808 15.419 14.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.775 15.634 15.920 1.00 0.00 H new ATOM 467 N PRO A 33 -6.135 16.324 11.249 1.00 0.00 N ATOM 468 CA PRO A 33 -6.450 16.281 9.831 1.00 0.00 C ATOM 469 C PRO A 33 -5.406 15.468 9.063 1.00 0.00 C ATOM 470 O PRO A 33 -4.309 15.227 9.565 1.00 0.00 O ATOM 471 CB PRO A 33 -6.506 17.737 9.396 1.00 0.00 C ATOM 472 CG PRO A 33 -5.769 18.521 10.469 1.00 0.00 C ATOM 473 CD PRO A 33 -5.594 17.612 11.675 1.00 0.00 C ATOM 0 HA PRO A 33 -7.396 15.781 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.036 17.872 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.537 18.077 9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.800 18.855 10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.331 19.414 10.743 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.545 17.527 11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.128 17.998 12.543 1.00 0.00 H new ATOM 481 N LEU A 34 -5.785 15.067 7.858 1.00 0.00 N ATOM 482 CA LEU A 34 -4.895 14.285 7.016 1.00 0.00 C ATOM 483 C LEU A 34 -3.486 14.876 7.084 1.00 0.00 C ATOM 484 O LEU A 34 -2.531 14.176 7.416 1.00 0.00 O ATOM 485 CB LEU A 34 -5.453 14.187 5.594 1.00 0.00 C ATOM 486 CG LEU A 34 -4.729 13.220 4.655 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.215 13.434 4.710 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.114 11.771 4.956 1.00 0.00 C ATOM 0 H LEU A 34 -6.696 15.269 7.445 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.829 13.260 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.499 13.888 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.431 15.181 5.147 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.048 13.432 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.724 12.734 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.981 14.455 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.860 13.265 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.585 11.105 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.843 11.528 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.189 11.645 4.825 1.00 0.00 H new ATOM 500 N LYS A 35 -3.400 16.159 6.763 1.00 0.00 N ATOM 501 CA LYS A 35 -2.123 16.852 6.784 1.00 0.00 C ATOM 502 C LYS A 35 -1.279 16.322 7.945 1.00 0.00 C ATOM 503 O LYS A 35 -0.263 15.664 7.729 1.00 0.00 O ATOM 504 CB LYS A 35 -2.336 18.366 6.818 1.00 0.00 C ATOM 505 CG LYS A 35 -1.007 19.103 7.000 1.00 0.00 C ATOM 506 CD LYS A 35 -0.294 19.286 5.659 1.00 0.00 C ATOM 507 CE LYS A 35 0.515 18.040 5.294 1.00 0.00 C ATOM 508 NZ LYS A 35 0.095 17.517 3.975 1.00 0.00 N ATOM 0 H LYS A 35 -4.194 16.737 6.487 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.566 16.653 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.812 18.691 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.013 18.623 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.186 20.076 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.367 18.544 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.027 19.490 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.367 20.151 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.578 18.282 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.377 17.273 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.527 16.584 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.941 17.427 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.403 18.172 3.228 1.00 0.00 H new ATOM 522 N GLU A 36 -1.731 16.631 9.152 1.00 0.00 N ATOM 523 CA GLU A 36 -1.030 16.194 10.347 1.00 0.00 C ATOM 524 C GLU A 36 -0.789 14.684 10.299 1.00 0.00 C ATOM 525 O GLU A 36 0.340 14.227 10.472 1.00 0.00 O ATOM 526 CB GLU A 36 -1.802 16.586 11.609 1.00 0.00 C ATOM 527 CG GLU A 36 -1.341 17.948 12.133 1.00 0.00 C ATOM 528 CD GLU A 36 -0.929 17.859 13.603 1.00 0.00 C ATOM 529 OE1 GLU A 36 -0.065 17.005 13.900 1.00 0.00 O ATOM 530 OE2 GLU A 36 -1.486 18.646 14.398 1.00 0.00 O ATOM 0 H GLU A 36 -2.574 17.178 9.328 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.063 16.695 10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.870 16.619 11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.657 15.828 12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.501 18.305 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.144 18.676 12.020 1.00 0.00 H new ATOM 537 N ARG A 37 -1.867 13.952 10.064 1.00 0.00 N ATOM 538 CA ARG A 37 -1.786 12.503 9.991 1.00 0.00 C ATOM 539 C ARG A 37 -0.500 12.078 9.280 1.00 0.00 C ATOM 540 O ARG A 37 0.361 11.435 9.879 1.00 0.00 O ATOM 541 CB ARG A 37 -2.989 11.921 9.246 1.00 0.00 C ATOM 542 CG ARG A 37 -3.983 11.284 10.220 1.00 0.00 C ATOM 543 CD ARG A 37 -5.271 10.878 9.502 1.00 0.00 C ATOM 544 NE ARG A 37 -6.404 11.692 9.995 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.691 11.425 9.733 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.016 10.364 8.982 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.653 12.219 10.223 1.00 0.00 N ATOM 0 H ARG A 37 -2.802 14.335 9.922 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.785 12.119 11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.485 12.708 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.650 11.175 8.527 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.531 10.408 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.215 11.987 11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.156 11.014 8.427 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.473 9.820 9.670 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.192 12.507 10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.284 9.759 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.996 10.161 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.406 13.026 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.633 12.016 10.024 1.00 0.00 H new ATOM 561 N MET A 38 -0.410 12.454 8.013 1.00 0.00 N ATOM 562 CA MET A 38 0.757 12.120 7.214 1.00 0.00 C ATOM 563 C MET A 38 2.048 12.410 7.982 1.00 0.00 C ATOM 564 O MET A 38 2.770 11.489 8.361 1.00 0.00 O ATOM 565 CB MET A 38 0.739 12.933 5.919 1.00 0.00 C ATOM 566 CG MET A 38 -0.290 12.373 4.934 1.00 0.00 C ATOM 567 SD MET A 38 0.506 11.257 3.790 1.00 0.00 S ATOM 568 CE MET A 38 0.192 9.701 4.607 1.00 0.00 C ATOM 0 H MET A 38 -1.126 12.987 7.520 1.00 0.00 H new ATOM 0 HA MET A 38 0.724 11.055 6.984 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.505 13.974 6.142 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.729 12.919 5.463 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.078 11.850 5.476 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.765 13.188 4.389 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.244 8.999 3.897 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.129 9.296 4.990 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.501 9.858 5.434 1.00 0.00 H new ATOM 578 N VAL A 39 2.300 13.694 8.189 1.00 0.00 N ATOM 579 CA VAL A 39 3.492 14.117 8.904 1.00 0.00 C ATOM 580 C VAL A 39 3.636 13.288 10.182 1.00 0.00 C ATOM 581 O VAL A 39 4.714 12.773 10.473 1.00 0.00 O ATOM 582 CB VAL A 39 3.434 15.623 9.172 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.124 16.007 9.861 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.641 16.079 9.994 1.00 0.00 C ATOM 0 H VAL A 39 1.699 14.455 7.874 1.00 0.00 H new ATOM 0 HA VAL A 39 4.382 13.941 8.300 1.00 0.00 H new ATOM 0 HB VAL A 39 3.469 16.137 8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.109 17.082 10.040 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.284 15.733 9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.045 15.480 10.812 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.576 17.153 10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.650 15.554 10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.558 15.856 9.449 1.00 0.00 H new ATOM 594 N GLU A 40 2.533 13.184 10.909 1.00 0.00 N ATOM 595 CA GLU A 40 2.523 12.425 12.148 1.00 0.00 C ATOM 596 C GLU A 40 2.973 10.985 11.893 1.00 0.00 C ATOM 597 O GLU A 40 3.731 10.419 12.680 1.00 0.00 O ATOM 598 CB GLU A 40 1.140 12.460 12.801 1.00 0.00 C ATOM 599 CG GLU A 40 1.255 12.517 14.326 1.00 0.00 C ATOM 600 CD GLU A 40 2.116 13.701 14.768 1.00 0.00 C ATOM 601 OE1 GLU A 40 2.001 14.761 14.115 1.00 0.00 O ATOM 602 OE2 GLU A 40 2.871 13.520 15.748 1.00 0.00 O ATOM 0 H GLU A 40 1.640 13.613 10.664 1.00 0.00 H new ATOM 0 HA GLU A 40 3.227 12.887 12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.586 13.327 12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.573 11.576 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.261 12.601 14.766 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.690 11.589 14.696 1.00 0.00 H new ATOM 609 N ILE A 41 2.487 10.434 10.791 1.00 0.00 N ATOM 610 CA ILE A 41 2.830 9.071 10.422 1.00 0.00 C ATOM 611 C ILE A 41 4.345 8.960 10.246 1.00 0.00 C ATOM 612 O ILE A 41 4.989 8.126 10.880 1.00 0.00 O ATOM 613 CB ILE A 41 2.034 8.633 9.191 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.536 8.574 9.499 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.559 7.304 8.643 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.293 8.875 8.249 1.00 0.00 C ATOM 0 H ILE A 41 1.858 10.906 10.141 1.00 0.00 H new ATOM 0 HA ILE A 41 2.550 8.380 11.217 1.00 0.00 H new ATOM 0 HB ILE A 41 2.173 9.381 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.278 7.586 9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.294 9.292 10.282 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.976 7.015 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.606 7.415 8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.469 6.534 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.354 8.827 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.051 9.873 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.066 8.140 7.476 1.00 0.00 H new ATOM 628 N GLY A 42 4.872 9.815 9.381 1.00 0.00 N ATOM 629 CA GLY A 42 6.300 9.824 9.113 1.00 0.00 C ATOM 630 C GLY A 42 7.102 9.667 10.407 1.00 0.00 C ATOM 631 O GLY A 42 8.126 8.986 10.429 1.00 0.00 O ATOM 0 H GLY A 42 4.335 10.506 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.550 9.016 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.575 10.757 8.621 1.00 0.00 H new ATOM 635 N SER A 43 6.605 10.308 11.455 1.00 0.00 N ATOM 636 CA SER A 43 7.262 10.248 12.750 1.00 0.00 C ATOM 637 C SER A 43 7.222 8.818 13.291 1.00 0.00 C ATOM 638 O SER A 43 8.255 8.261 13.659 1.00 0.00 O ATOM 639 CB SER A 43 6.609 11.210 13.744 1.00 0.00 C ATOM 640 OG SER A 43 7.573 11.875 14.556 1.00 0.00 O ATOM 0 H SER A 43 5.755 10.871 11.434 1.00 0.00 H new ATOM 0 HA SER A 43 8.301 10.552 12.621 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.021 11.949 13.200 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.917 10.659 14.381 1.00 0.00 H new ATOM 0 HG SER A 43 7.116 12.481 15.176 1.00 0.00 H new ATOM 646 N ARG A 44 6.019 8.264 13.323 1.00 0.00 N ATOM 647 CA ARG A 44 5.831 6.909 13.813 1.00 0.00 C ATOM 648 C ARG A 44 6.699 5.932 13.018 1.00 0.00 C ATOM 649 O ARG A 44 7.288 5.014 13.587 1.00 0.00 O ATOM 650 CB ARG A 44 4.366 6.483 13.706 1.00 0.00 C ATOM 651 CG ARG A 44 3.483 7.316 14.637 1.00 0.00 C ATOM 652 CD ARG A 44 2.260 6.517 15.093 1.00 0.00 C ATOM 653 NE ARG A 44 2.567 5.795 16.348 1.00 0.00 N ATOM 654 CZ ARG A 44 2.557 6.361 17.562 1.00 0.00 C ATOM 655 NH1 ARG A 44 2.257 7.660 17.694 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.849 5.627 18.645 1.00 0.00 N ATOM 0 H ARG A 44 5.164 8.729 13.017 1.00 0.00 H new ATOM 0 HA ARG A 44 6.126 6.892 14.862 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.025 6.597 12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.271 5.427 13.958 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.061 7.631 15.506 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.160 8.221 14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.414 7.187 15.247 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.969 5.808 14.318 1.00 0.00 H new ATOM 0 HE ARG A 44 2.801 4.804 16.284 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.036 8.219 16.870 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.250 8.090 18.619 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.079 4.638 18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.842 6.057 19.570 1.00 0.00 H new ATOM 670 N TRP A 45 6.750 6.162 11.714 1.00 0.00 N ATOM 671 CA TRP A 45 7.536 5.313 10.835 1.00 0.00 C ATOM 672 C TRP A 45 9.016 5.565 11.132 1.00 0.00 C ATOM 673 O TRP A 45 9.839 4.659 11.018 1.00 0.00 O ATOM 674 CB TRP A 45 7.172 5.555 9.369 1.00 0.00 C ATOM 675 CG TRP A 45 8.137 4.910 8.372 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.217 5.456 7.797 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.065 3.565 7.854 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.844 4.566 6.950 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.121 3.379 6.985 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.138 2.539 8.110 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.350 2.178 6.303 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.381 1.345 7.421 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.440 1.142 6.543 1.00 0.00 C ATOM 0 H TRP A 45 6.260 6.924 11.245 1.00 0.00 H new ATOM 0 HA TRP A 45 7.318 4.261 11.020 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.168 5.172 9.187 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.141 6.629 9.186 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.554 6.466 7.974 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.684 4.746 6.399 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.304 2.663 8.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.184 2.057 5.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.698 0.524 7.583 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.560 0.189 6.049 1.00 0.00 H new ATOM 694 N GLN A 46 9.308 6.802 11.508 1.00 0.00 N ATOM 695 CA GLN A 46 10.674 7.185 11.823 1.00 0.00 C ATOM 696 C GLN A 46 11.077 6.635 13.192 1.00 0.00 C ATOM 697 O GLN A 46 12.257 6.630 13.540 1.00 0.00 O ATOM 698 CB GLN A 46 10.843 8.705 11.770 1.00 0.00 C ATOM 699 CG GLN A 46 11.424 9.146 10.425 1.00 0.00 C ATOM 700 CD GLN A 46 12.895 9.543 10.566 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.430 9.662 11.656 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.516 9.740 9.407 1.00 0.00 N ATOM 0 H GLN A 46 8.622 7.551 11.601 1.00 0.00 H new ATOM 0 HA GLN A 46 11.335 6.753 11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.879 9.187 11.929 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.499 9.030 12.578 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.330 8.336 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.852 9.989 10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.008 9.623 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.500 10.008 9.395 1.00 0.00 H new ATOM 711 N ARG A 47 10.075 6.186 13.933 1.00 0.00 N ATOM 712 CA ARG A 47 10.310 5.635 15.257 1.00 0.00 C ATOM 713 C ARG A 47 10.698 4.159 15.156 1.00 0.00 C ATOM 714 O ARG A 47 11.767 3.761 15.617 1.00 0.00 O ATOM 715 CB ARG A 47 9.067 5.770 16.138 1.00 0.00 C ATOM 716 CG ARG A 47 8.829 7.229 16.532 1.00 0.00 C ATOM 717 CD ARG A 47 7.371 7.458 16.934 1.00 0.00 C ATOM 718 NE ARG A 47 7.304 7.982 18.317 1.00 0.00 N ATOM 719 CZ ARG A 47 7.322 7.212 19.414 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.405 5.880 19.296 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.257 7.775 20.628 1.00 0.00 N ATOM 0 H ARG A 47 9.098 6.192 13.642 1.00 0.00 H new ATOM 0 HA ARG A 47 11.126 6.198 15.711 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.196 5.387 15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.185 5.162 17.035 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.485 7.497 17.360 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.087 7.881 15.698 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.902 8.162 16.246 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.814 6.524 16.863 1.00 0.00 H new ATOM 0 HE ARG A 47 7.240 8.992 18.443 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.455 5.452 18.371 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.419 5.294 20.131 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.194 8.789 20.717 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.271 7.189 21.463 1.00 0.00 H new ATOM 735 N ILE A 48 9.808 3.386 14.551 1.00 0.00 N ATOM 736 CA ILE A 48 10.044 1.962 14.384 1.00 0.00 C ATOM 737 C ILE A 48 11.493 1.737 13.949 1.00 0.00 C ATOM 738 O ILE A 48 12.172 2.674 13.530 1.00 0.00 O ATOM 739 CB ILE A 48 9.014 1.356 13.429 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.920 2.170 12.136 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.653 1.207 14.112 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.005 1.483 11.121 1.00 0.00 C ATOM 0 H ILE A 48 8.922 3.719 14.170 1.00 0.00 H new ATOM 0 HA ILE A 48 9.911 1.440 15.332 1.00 0.00 H new ATOM 0 HB ILE A 48 9.349 0.355 13.157 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.540 3.167 12.357 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.915 2.295 11.708 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.940 0.774 13.411 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.751 0.554 14.980 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.298 2.186 14.433 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.956 2.082 10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.401 0.496 10.884 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.005 1.381 11.543 1.00 0.00 H new ATOM 754 N SER A 49 11.925 0.489 14.062 1.00 0.00 N ATOM 755 CA SER A 49 13.281 0.130 13.685 1.00 0.00 C ATOM 756 C SER A 49 13.289 -0.493 12.288 1.00 0.00 C ATOM 757 O SER A 49 12.278 -0.465 11.587 1.00 0.00 O ATOM 758 CB SER A 49 13.897 -0.836 14.700 1.00 0.00 C ATOM 759 OG SER A 49 14.935 -0.222 15.460 1.00 0.00 O ATOM 0 H SER A 49 11.360 -0.286 14.409 1.00 0.00 H new ATOM 0 HA SER A 49 13.884 1.038 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.120 -1.198 15.374 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.296 -1.705 14.177 1.00 0.00 H new ATOM 0 HG SER A 49 15.301 -0.870 16.097 1.00 0.00 H new ATOM 765 N GLN A 50 14.439 -1.040 11.924 1.00 0.00 N ATOM 766 CA GLN A 50 14.591 -1.668 10.623 1.00 0.00 C ATOM 767 C GLN A 50 13.572 -2.797 10.456 1.00 0.00 C ATOM 768 O GLN A 50 12.787 -2.794 9.509 1.00 0.00 O ATOM 769 CB GLN A 50 16.018 -2.185 10.427 1.00 0.00 C ATOM 770 CG GLN A 50 16.159 -2.913 9.089 1.00 0.00 C ATOM 771 CD GLN A 50 16.125 -1.924 7.921 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.939 -1.827 7.328 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 17.111 -1.292 7.581 1.00 0.00 N flip ATOM 0 H GLN A 50 15.275 -1.061 12.508 1.00 0.00 H new ATOM 0 HA GLN A 50 14.402 -0.918 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.719 -1.351 10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.279 -2.860 11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.095 -3.471 9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.353 -3.639 8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.992 -1.414 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.055 -0.641 6.798 1.00 0.00 H new ATOM 782 N SER A 51 13.617 -3.735 11.391 1.00 0.00 N ATOM 783 CA SER A 51 12.706 -4.867 11.360 1.00 0.00 C ATOM 784 C SER A 51 11.359 -4.439 10.774 1.00 0.00 C ATOM 785 O SER A 51 10.858 -5.063 9.840 1.00 0.00 O ATOM 786 CB SER A 51 12.514 -5.458 12.758 1.00 0.00 C ATOM 787 OG SER A 51 11.387 -6.328 12.819 1.00 0.00 O ATOM 0 H SER A 51 14.270 -3.734 12.175 1.00 0.00 H new ATOM 0 HA SER A 51 13.141 -5.639 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.411 -6.006 13.046 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.388 -4.650 13.479 1.00 0.00 H new ATOM 0 HG SER A 51 11.299 -6.686 13.727 1.00 0.00 H new ATOM 793 N GLN A 52 10.811 -3.378 11.348 1.00 0.00 N ATOM 794 CA GLN A 52 9.531 -2.860 10.894 1.00 0.00 C ATOM 795 C GLN A 52 9.577 -2.573 9.392 1.00 0.00 C ATOM 796 O GLN A 52 8.779 -3.115 8.629 1.00 0.00 O ATOM 797 CB GLN A 52 9.138 -1.607 11.680 1.00 0.00 C ATOM 798 CG GLN A 52 7.743 -1.757 12.289 1.00 0.00 C ATOM 799 CD GLN A 52 7.620 -3.074 13.059 1.00 0.00 C ATOM 800 OE1 GLN A 52 7.220 -4.098 12.528 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.985 -2.991 14.335 1.00 0.00 N ATOM 0 H GLN A 52 11.229 -2.863 12.123 1.00 0.00 H new ATOM 0 HA GLN A 52 8.769 -3.618 11.076 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.866 -1.426 12.471 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.160 -0.739 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.542 -0.920 12.958 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.992 -1.721 11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.310 -2.102 14.716 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.940 -3.816 14.933 1.00 0.00 H new ATOM 810 N LYS A 53 10.519 -1.722 9.013 1.00 0.00 N ATOM 811 CA LYS A 53 10.679 -1.357 7.615 1.00 0.00 C ATOM 812 C LYS A 53 10.738 -2.628 6.765 1.00 0.00 C ATOM 813 O LYS A 53 10.119 -2.698 5.704 1.00 0.00 O ATOM 814 CB LYS A 53 11.890 -0.440 7.436 1.00 0.00 C ATOM 815 CG LYS A 53 12.040 0.509 8.627 1.00 0.00 C ATOM 816 CD LYS A 53 10.675 1.011 9.103 1.00 0.00 C ATOM 817 CE LYS A 53 10.723 2.505 9.430 1.00 0.00 C ATOM 818 NZ LYS A 53 11.763 2.779 10.447 1.00 0.00 N ATOM 0 H LYS A 53 11.179 -1.275 9.649 1.00 0.00 H new ATOM 0 HA LYS A 53 9.820 -0.782 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.793 -1.041 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.781 0.137 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.548 -0.004 9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.665 1.356 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.927 0.828 8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.366 0.452 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.932 3.075 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.751 2.835 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.491 3.612 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.859 1.956 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.671 2.961 9.974 1.00 0.00 H new ATOM 832 N GLU A 54 11.489 -3.600 7.261 1.00 0.00 N ATOM 833 CA GLU A 54 11.637 -4.864 6.560 1.00 0.00 C ATOM 834 C GLU A 54 10.295 -5.594 6.493 1.00 0.00 C ATOM 835 O GLU A 54 9.829 -5.947 5.411 1.00 0.00 O ATOM 836 CB GLU A 54 12.704 -5.737 7.223 1.00 0.00 C ATOM 837 CG GLU A 54 14.110 -5.284 6.823 1.00 0.00 C ATOM 838 CD GLU A 54 14.599 -6.041 5.587 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.989 -7.216 5.759 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.572 -5.428 4.498 1.00 0.00 O ATOM 0 H GLU A 54 12.002 -3.538 8.140 1.00 0.00 H new ATOM 0 HA GLU A 54 11.966 -4.656 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.597 -5.688 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.558 -6.778 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.107 -4.213 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.799 -5.450 7.651 1.00 0.00 H new ATOM 847 N HIS A 55 9.710 -5.800 7.665 1.00 0.00 N ATOM 848 CA HIS A 55 8.430 -6.482 7.753 1.00 0.00 C ATOM 849 C HIS A 55 7.456 -5.878 6.740 1.00 0.00 C ATOM 850 O HIS A 55 7.068 -6.537 5.776 1.00 0.00 O ATOM 851 CB HIS A 55 7.894 -6.448 9.185 1.00 0.00 C ATOM 852 CG HIS A 55 6.569 -7.151 9.362 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.366 -8.470 8.998 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.384 -6.704 9.868 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.111 -8.792 9.276 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.504 -7.696 9.814 1.00 0.00 N ATOM 0 H HIS A 55 10.099 -5.506 8.561 1.00 0.00 H new ATOM 0 HA HIS A 55 8.556 -7.535 7.500 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.628 -6.906 9.848 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.787 -5.409 9.497 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.194 -5.711 10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.650 -9.754 9.106 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.533 -7.647 10.124 1.00 0.00 H new ATOM 864 N TYR A 56 7.088 -4.631 6.993 1.00 0.00 N ATOM 865 CA TYR A 56 6.166 -3.930 6.115 1.00 0.00 C ATOM 866 C TYR A 56 6.633 -4.000 4.660 1.00 0.00 C ATOM 867 O TYR A 56 5.917 -4.506 3.798 1.00 0.00 O ATOM 868 CB TYR A 56 6.175 -2.470 6.572 1.00 0.00 C ATOM 869 CG TYR A 56 5.335 -2.204 7.823 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.053 -2.708 7.913 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.858 -1.459 8.860 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.262 -2.458 9.090 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.067 -1.208 10.037 1.00 0.00 C ATOM 874 CZ TYR A 56 3.808 -1.720 10.094 1.00 0.00 C ATOM 875 OH TYR A 56 3.061 -1.483 11.205 1.00 0.00 O ATOM 0 H TYR A 56 7.411 -4.088 7.793 1.00 0.00 H new ATOM 0 HA TYR A 56 5.173 -4.377 6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.204 -2.167 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.807 -1.843 5.760 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.643 -3.290 7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.861 -1.064 8.789 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.258 -2.847 9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.464 -0.627 10.856 1.00 0.00 H new ATOM 0 HH TYR A 56 3.579 -0.944 11.839 1.00 0.00 H new ATOM 885 N LYS A 57 7.832 -3.484 4.432 1.00 0.00 N ATOM 886 CA LYS A 57 8.404 -3.481 3.097 1.00 0.00 C ATOM 887 C LYS A 57 8.225 -4.864 2.467 1.00 0.00 C ATOM 888 O LYS A 57 7.921 -4.975 1.281 1.00 0.00 O ATOM 889 CB LYS A 57 9.859 -3.008 3.138 1.00 0.00 C ATOM 890 CG LYS A 57 10.458 -2.954 1.731 1.00 0.00 C ATOM 891 CD LYS A 57 11.488 -1.829 1.617 1.00 0.00 C ATOM 892 CE LYS A 57 12.844 -2.269 2.174 1.00 0.00 C ATOM 893 NZ LYS A 57 13.946 -1.627 1.423 1.00 0.00 N ATOM 0 H LYS A 57 8.423 -3.065 5.150 1.00 0.00 H new ATOM 0 HA LYS A 57 7.879 -2.769 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.911 -2.021 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.447 -3.682 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.929 -3.908 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.664 -2.801 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.597 -1.536 0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.135 -0.952 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.913 -2.005 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.936 -3.353 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.859 -1.936 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.888 -1.899 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.866 -0.593 1.506 1.00 0.00 H new ATOM 907 N LYS A 58 8.422 -5.884 3.290 1.00 0.00 N ATOM 908 CA LYS A 58 8.286 -7.255 2.829 1.00 0.00 C ATOM 909 C LYS A 58 6.825 -7.523 2.464 1.00 0.00 C ATOM 910 O LYS A 58 6.522 -7.897 1.332 1.00 0.00 O ATOM 911 CB LYS A 58 8.849 -8.228 3.866 1.00 0.00 C ATOM 912 CG LYS A 58 8.491 -9.673 3.514 1.00 0.00 C ATOM 913 CD LYS A 58 7.251 -10.134 4.282 1.00 0.00 C ATOM 914 CE LYS A 58 7.511 -10.141 5.790 1.00 0.00 C ATOM 915 NZ LYS A 58 7.386 -11.514 6.330 1.00 0.00 N ATOM 0 H LYS A 58 8.675 -5.788 4.274 1.00 0.00 H new ATOM 0 HA LYS A 58 8.875 -7.413 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.932 -8.121 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.455 -7.982 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.311 -9.756 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.331 -10.327 3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.413 -9.474 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.966 -11.134 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.509 -9.752 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.803 -9.481 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.565 -11.502 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.426 -11.871 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.079 -12.134 5.865 1.00 0.00 H new ATOM 929 N LEU A 59 5.957 -7.322 3.444 1.00 0.00 N ATOM 930 CA LEU A 59 4.534 -7.537 3.241 1.00 0.00 C ATOM 931 C LEU A 59 4.109 -6.893 1.920 1.00 0.00 C ATOM 932 O LEU A 59 3.431 -7.521 1.108 1.00 0.00 O ATOM 933 CB LEU A 59 3.739 -7.042 4.450 1.00 0.00 C ATOM 934 CG LEU A 59 4.103 -7.673 5.796 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.735 -6.743 6.954 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.463 -9.054 5.945 1.00 0.00 C ATOM 0 H LEU A 59 6.212 -7.012 4.382 1.00 0.00 H new ATOM 0 HA LEU A 59 4.317 -8.602 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.871 -5.963 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.680 -7.221 4.262 1.00 0.00 H new ATOM 0 HG LEU A 59 5.183 -7.814 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.004 -7.215 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.276 -5.802 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.663 -6.548 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.738 -9.480 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.379 -8.961 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.816 -9.707 5.147 1.00 0.00 H new ATOM 948 N ALA A 60 4.526 -5.648 1.744 1.00 0.00 N ATOM 949 CA ALA A 60 4.197 -4.911 0.536 1.00 0.00 C ATOM 950 C ALA A 60 4.453 -5.800 -0.683 1.00 0.00 C ATOM 951 O ALA A 60 3.622 -5.874 -1.587 1.00 0.00 O ATOM 952 CB ALA A 60 5.007 -3.614 0.492 1.00 0.00 C ATOM 0 H ALA A 60 5.089 -5.131 2.419 1.00 0.00 H new ATOM 0 HA ALA A 60 3.142 -4.636 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.760 -3.061 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.768 -3.006 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.071 -3.849 0.495 1.00 0.00 H new ATOM 958 N GLU A 61 5.606 -6.452 -0.668 1.00 0.00 N ATOM 959 CA GLU A 61 5.982 -7.333 -1.761 1.00 0.00 C ATOM 960 C GLU A 61 4.951 -8.452 -1.920 1.00 0.00 C ATOM 961 O GLU A 61 4.705 -8.922 -3.030 1.00 0.00 O ATOM 962 CB GLU A 61 7.384 -7.906 -1.546 1.00 0.00 C ATOM 963 CG GLU A 61 8.323 -6.851 -0.957 1.00 0.00 C ATOM 964 CD GLU A 61 9.779 -7.147 -1.323 1.00 0.00 C ATOM 965 OE1 GLU A 61 10.187 -6.713 -2.422 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.451 -7.801 -0.496 1.00 0.00 O ATOM 0 H GLU A 61 6.292 -6.388 0.084 1.00 0.00 H new ATOM 0 HA GLU A 61 6.001 -6.750 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.331 -8.765 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.784 -8.265 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.045 -5.864 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.214 -6.827 0.127 1.00 0.00 H new ATOM 973 N GLU A 62 4.375 -8.846 -0.794 1.00 0.00 N ATOM 974 CA GLU A 62 3.376 -9.901 -0.793 1.00 0.00 C ATOM 975 C GLU A 62 2.043 -9.370 -1.324 1.00 0.00 C ATOM 976 O GLU A 62 1.378 -10.033 -2.118 1.00 0.00 O ATOM 977 CB GLU A 62 3.210 -10.499 0.605 1.00 0.00 C ATOM 978 CG GLU A 62 2.072 -11.522 0.633 1.00 0.00 C ATOM 979 CD GLU A 62 2.618 -12.951 0.604 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.154 -13.375 1.651 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.487 -13.587 -0.464 1.00 0.00 O ATOM 0 H GLU A 62 4.581 -8.453 0.125 1.00 0.00 H new ATOM 0 HA GLU A 62 3.717 -10.698 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.140 -10.976 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.007 -9.704 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.470 -11.377 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.414 -11.363 -0.221 1.00 0.00 H new ATOM 988 N GLN A 63 1.692 -8.178 -0.863 1.00 0.00 N ATOM 989 CA GLN A 63 0.450 -7.551 -1.281 1.00 0.00 C ATOM 990 C GLN A 63 0.406 -7.425 -2.805 1.00 0.00 C ATOM 991 O GLN A 63 -0.623 -7.694 -3.425 1.00 0.00 O ATOM 992 CB GLN A 63 0.273 -6.185 -0.613 1.00 0.00 C ATOM 993 CG GLN A 63 -0.859 -6.221 0.416 1.00 0.00 C ATOM 994 CD GLN A 63 -2.225 -6.183 -0.271 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.602 -4.968 -0.659 1.00 0.00 O flip ATOM 996 NE2 GLN A 63 -2.893 -7.190 -0.438 1.00 0.00 N flip ATOM 0 H GLN A 63 2.246 -7.630 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.379 -8.184 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.203 -5.891 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.057 -5.431 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.777 -7.124 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.765 -5.373 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.544 -8.093 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.800 -7.129 -0.900 1.00 0.00 H new ATOM 1005 N GLN A 64 1.534 -7.015 -3.366 1.00 0.00 N ATOM 1006 CA GLN A 64 1.637 -6.850 -4.806 1.00 0.00 C ATOM 1007 C GLN A 64 1.718 -8.215 -5.493 1.00 0.00 C ATOM 1008 O GLN A 64 1.512 -8.320 -6.700 1.00 0.00 O ATOM 1009 CB GLN A 64 2.840 -5.979 -5.174 1.00 0.00 C ATOM 1010 CG GLN A 64 2.727 -4.592 -4.539 1.00 0.00 C ATOM 1011 CD GLN A 64 4.081 -3.880 -4.532 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.507 -3.291 -5.512 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.732 -3.967 -3.375 1.00 0.00 N ATOM 0 H GLN A 64 2.385 -6.792 -2.849 1.00 0.00 H new ATOM 0 HA GLN A 64 0.740 -6.341 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.759 -6.462 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.906 -5.883 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.001 -3.994 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.356 -4.685 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.318 -4.476 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.645 -3.525 -3.269 1.00 0.00 H new ATOM 1022 N ARG A 65 2.020 -9.227 -4.692 1.00 0.00 N ATOM 1023 CA ARG A 65 2.131 -10.581 -5.207 1.00 0.00 C ATOM 1024 C ARG A 65 0.745 -11.216 -5.336 1.00 0.00 C ATOM 1025 O ARG A 65 0.485 -11.960 -6.280 1.00 0.00 O ATOM 1026 CB ARG A 65 2.998 -11.449 -4.293 1.00 0.00 C ATOM 1027 CG ARG A 65 2.561 -12.914 -4.350 1.00 0.00 C ATOM 1028 CD ARG A 65 3.557 -13.813 -3.615 1.00 0.00 C ATOM 1029 NE ARG A 65 3.326 -15.229 -3.980 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.738 -15.787 -5.126 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.406 -15.052 -6.026 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.483 -17.079 -5.372 1.00 0.00 N ATOM 0 H ARG A 65 2.191 -9.136 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 65 2.601 -10.524 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.043 -11.366 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.929 -11.085 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.572 -13.020 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.477 -13.232 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.577 -13.525 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.450 -13.684 -2.538 1.00 0.00 H new ATOM 0 HE ARG A 65 2.821 -15.817 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.600 -14.068 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.720 -15.476 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.975 -17.638 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.797 -17.504 -6.245 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.108 -10.897 -4.374 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.461 -11.427 -4.368 1.00 0.00 C ATOM 1048 C GLN A 66 -2.327 -10.684 -5.388 1.00 0.00 C ATOM 1049 O GLN A 66 -3.073 -11.304 -6.144 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.074 -11.350 -2.968 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.160 -12.007 -1.932 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.937 -12.360 -0.662 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.412 -13.469 -0.482 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -2.038 -11.358 0.206 1.00 0.00 N ATOM 0 H GLN A 66 0.111 -10.278 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.420 -12.478 -4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.244 -10.308 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.046 -11.843 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.716 -12.909 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.340 -11.333 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.617 -10.454 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.537 -11.493 1.085 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.198 -9.365 -5.376 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.959 -8.531 -6.290 1.00 0.00 C ATOM 1065 C TYR A 67 -2.784 -9.000 -7.735 1.00 0.00 C ATOM 1066 O TYR A 67 -3.600 -8.681 -8.599 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.384 -7.120 -6.151 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.641 -6.221 -7.362 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -3.843 -5.554 -7.483 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -1.671 -6.077 -8.334 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -4.085 -4.708 -8.623 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -1.913 -5.231 -9.474 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.109 -4.589 -9.562 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.337 -3.790 -10.639 1.00 0.00 O ATOM 0 H TYR A 67 -1.578 -8.854 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.022 -8.574 -6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.812 -6.650 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.309 -7.191 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.602 -5.666 -6.723 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.730 -6.599 -8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.021 -4.180 -8.730 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.163 -5.109 -10.241 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.552 -3.800 -11.226 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.714 -9.750 -7.955 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.422 -10.267 -9.281 1.00 0.00 C ATOM 1086 C LYS A 68 -2.423 -11.372 -9.625 1.00 0.00 C ATOM 1087 O LYS A 68 -3.084 -11.314 -10.661 1.00 0.00 O ATOM 1088 CB LYS A 68 0.040 -10.711 -9.373 1.00 0.00 C ATOM 1089 CG LYS A 68 0.591 -10.495 -10.783 1.00 0.00 C ATOM 1090 CD LYS A 68 0.721 -11.824 -11.531 1.00 0.00 C ATOM 1091 CE LYS A 68 1.237 -11.604 -12.954 1.00 0.00 C ATOM 1092 NZ LYS A 68 1.303 -12.889 -13.686 1.00 0.00 N ATOM 0 H LYS A 68 -1.039 -10.012 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.541 -9.484 -10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.639 -10.152 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.121 -11.764 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.068 -9.825 -11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.565 -10.009 -10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.401 -12.484 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.248 -12.323 -11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.581 -10.911 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.225 -11.146 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.655 -12.722 -14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.947 -13.538 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.354 -13.311 -13.733 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.502 -12.352 -8.738 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.412 -13.468 -8.935 1.00 0.00 C ATOM 1108 C VAL A 69 -4.854 -12.966 -8.850 1.00 0.00 C ATOM 1109 O VAL A 69 -5.683 -13.303 -9.695 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.105 -14.578 -7.927 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.599 -14.694 -7.681 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.858 -14.350 -6.615 1.00 0.00 C ATOM 0 H VAL A 69 -1.951 -12.397 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.276 -13.901 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.449 -15.521 -8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.408 -15.490 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.094 -14.924 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.221 -13.750 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.622 -15.153 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.558 -13.394 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.931 -14.340 -6.808 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.111 -12.169 -7.824 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.439 -11.617 -7.618 1.00 0.00 C ATOM 1124 C HIS A 70 -7.039 -11.209 -8.964 1.00 0.00 C ATOM 1125 O HIS A 70 -8.136 -11.640 -9.316 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.399 -10.465 -6.612 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.994 -10.880 -5.218 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.489 -12.058 -4.750 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.093 -10.036 -4.126 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.289 -11.939 -3.443 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.663 -10.686 -3.054 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.421 -11.892 -7.125 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.090 -12.377 -7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.703 -9.707 -6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.383 -9.999 -6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.459 -9.020 -4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.895 -12.708 -2.794 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.619 -10.315 -2.105 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.293 -10.381 -9.682 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.738 -9.909 -10.982 1.00 0.00 C ATOM 1141 C LEU A 71 -7.213 -11.100 -11.817 1.00 0.00 C ATOM 1142 O LEU A 71 -8.302 -11.068 -12.387 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.640 -9.084 -11.657 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.551 -7.616 -11.236 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -4.260 -6.976 -11.750 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -6.792 -6.841 -11.683 1.00 0.00 C ATOM 0 H LEU A 71 -5.383 -10.025 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.589 -9.236 -10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.680 -9.559 -11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.794 -9.124 -12.735 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.520 -7.574 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.221 -5.933 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.402 -7.509 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.236 -7.029 -12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.703 -5.800 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.879 -6.888 -12.768 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.679 -7.281 -11.228 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.372 -12.123 -11.863 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.692 -13.322 -12.618 1.00 0.00 C ATOM 1160 C ASP A 72 -8.007 -13.909 -12.103 1.00 0.00 C ATOM 1161 O ASP A 72 -8.873 -14.289 -12.890 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.603 -14.385 -12.453 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.715 -14.597 -13.680 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.107 -15.428 -14.527 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.664 -13.923 -13.743 1.00 0.00 O ATOM 0 H ASP A 72 -5.469 -12.146 -11.389 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.770 -13.046 -13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.971 -14.108 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.077 -15.333 -12.198 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.117 -13.964 -10.783 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.313 -14.498 -10.153 1.00 0.00 C ATOM 1172 C LEU A 73 -10.506 -13.602 -10.492 1.00 0.00 C ATOM 1173 O LEU A 73 -11.618 -14.090 -10.684 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.090 -14.682 -8.651 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.721 -15.227 -8.238 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.722 -15.659 -6.770 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.277 -16.358 -9.168 1.00 0.00 C ATOM 0 H LEU A 73 -7.398 -13.648 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.538 -15.491 -10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.239 -13.720 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.857 -15.356 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.991 -14.424 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.737 -16.042 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.962 -14.803 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.468 -16.440 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.301 -16.727 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.003 -17.170 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.210 -15.984 -10.190 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.233 -12.307 -10.556 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.271 -11.338 -10.868 1.00 0.00 C ATOM 1191 C TRP A 74 -11.659 -11.519 -12.337 1.00 0.00 C ATOM 1192 O TRP A 74 -12.792 -11.234 -12.723 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.809 -9.916 -10.542 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.573 -8.826 -11.297 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.726 -8.237 -10.952 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.187 -8.214 -12.546 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.111 -7.295 -11.884 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.145 -7.280 -12.883 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.066 -8.442 -13.363 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.079 -6.500 -14.044 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.015 -7.654 -14.519 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -10.971 -6.710 -14.873 1.00 0.00 C ATOM 0 H TRP A 74 -9.309 -11.906 -10.397 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.154 -11.505 -10.251 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.918 -9.746 -9.471 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.747 -9.828 -10.773 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.284 -8.470 -10.057 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -13.950 -6.716 -11.847 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.304 -9.168 -13.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.842 -5.775 -14.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.173 -7.789 -15.182 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.860 -6.141 -15.784 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.697 -11.991 -13.116 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.924 -12.213 -14.534 1.00 0.00 C ATOM 1215 C VAL A 75 -11.829 -13.433 -14.717 1.00 0.00 C ATOM 1216 O VAL A 75 -12.824 -13.371 -15.437 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.586 -12.346 -15.264 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.785 -12.903 -16.675 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.847 -11.007 -15.302 1.00 0.00 C ATOM 0 H VAL A 75 -9.759 -12.226 -12.792 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.437 -11.359 -14.977 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.970 -13.053 -14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.819 -12.988 -17.172 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.250 -13.887 -16.615 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.428 -12.232 -17.244 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.899 -11.129 -15.826 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.457 -10.269 -15.823 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.657 -10.667 -14.284 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.451 -14.515 -14.051 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.215 -15.748 -14.131 1.00 0.00 C ATOM 1231 C LYS A 76 -13.695 -15.442 -13.890 1.00 0.00 C ATOM 1232 O LYS A 76 -14.567 -16.183 -14.340 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.641 -16.797 -13.177 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.197 -17.143 -13.548 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.504 -17.896 -12.410 1.00 0.00 C ATOM 1236 CE LYS A 76 -9.902 -19.373 -12.407 1.00 0.00 C ATOM 1237 NZ LYS A 76 -10.377 -19.779 -11.066 1.00 0.00 N ATOM 0 H LYS A 76 -10.626 -14.563 -13.454 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.136 -16.181 -15.128 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.678 -16.422 -12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.254 -17.697 -13.209 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.186 -17.752 -14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.647 -16.229 -13.773 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.423 -17.807 -12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.769 -17.442 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.686 -19.546 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.049 -19.986 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.643 -20.784 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.618 -19.632 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.204 -19.206 -10.802 1.00 0.00 H new ATOM 1251 N SER A 77 -13.932 -14.349 -13.180 1.00 0.00 N ATOM 1252 CA SER A 77 -15.291 -13.936 -12.873 1.00 0.00 C ATOM 1253 C SER A 77 -15.839 -13.060 -14.002 1.00 0.00 C ATOM 1254 O SER A 77 -17.020 -13.137 -14.334 1.00 0.00 O ATOM 1255 CB SER A 77 -15.351 -13.185 -11.541 1.00 0.00 C ATOM 1256 OG SER A 77 -16.686 -12.837 -11.185 1.00 0.00 O ATOM 0 H SER A 77 -13.206 -13.737 -12.808 1.00 0.00 H new ATOM 0 HA SER A 77 -15.908 -14.830 -12.783 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.916 -13.803 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.746 -12.281 -11.607 1.00 0.00 H new ATOM 0 HG SER A 77 -16.683 -12.361 -10.329 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.953 -12.247 -14.560 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.333 -11.357 -15.644 1.00 0.00 C ATOM 1264 C LEU A 78 -16.196 -12.124 -16.648 1.00 0.00 C ATOM 1265 O LEU A 78 -15.796 -13.180 -17.137 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.094 -10.710 -16.265 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.445 -9.588 -15.452 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.340 -8.898 -16.254 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.495 -8.595 -14.951 1.00 0.00 C ATOM 0 H LEU A 78 -13.974 -12.186 -14.282 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.939 -10.533 -15.267 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.349 -11.487 -16.434 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.367 -10.312 -17.242 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.976 -10.031 -14.573 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.895 -8.105 -15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.573 -9.626 -16.518 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.763 -8.471 -17.163 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.007 -7.808 -14.376 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.014 -8.154 -15.802 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.214 -9.114 -14.317 1.00 0.00 H new ATOM 1281 N SER A 79 -17.363 -11.563 -16.928 1.00 0.00 N ATOM 1282 CA SER A 79 -18.285 -12.180 -17.865 1.00 0.00 C ATOM 1283 C SER A 79 -17.581 -12.437 -19.200 1.00 0.00 C ATOM 1284 O SER A 79 -16.410 -12.099 -19.362 1.00 0.00 O ATOM 1285 CB SER A 79 -19.523 -11.306 -18.078 1.00 0.00 C ATOM 1286 OG SER A 79 -19.488 -10.627 -19.330 1.00 0.00 O ATOM 0 H SER A 79 -17.691 -10.687 -16.522 1.00 0.00 H new ATOM 0 HA SER A 79 -18.613 -13.131 -17.445 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.418 -11.926 -18.027 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.595 -10.576 -17.272 1.00 0.00 H new ATOM 0 HG SER A 79 -20.296 -10.081 -19.429 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.345 -13.048 -20.144 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.807 -13.353 -21.459 1.00 0.00 C ATOM 1294 C PRO A 80 -17.699 -12.090 -22.314 1.00 0.00 C ATOM 1295 O PRO A 80 -17.013 -12.084 -23.336 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.757 -14.386 -22.043 1.00 0.00 C ATOM 1297 CG PRO A 80 -20.039 -14.277 -21.234 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.736 -13.463 -19.987 1.00 0.00 C ATOM 0 HA PRO A 80 -16.791 -13.745 -21.417 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.944 -14.192 -23.099 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.335 -15.389 -21.973 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.822 -13.797 -21.822 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.405 -15.267 -20.964 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.399 -12.602 -19.905 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.872 -14.057 -19.083 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.386 -11.049 -21.866 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.375 -9.782 -22.577 1.00 0.00 C ATOM 1308 C GLN A 81 -17.286 -8.866 -22.015 1.00 0.00 C ATOM 1309 O GLN A 81 -16.610 -8.166 -22.766 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.746 -9.107 -22.514 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.848 -10.057 -22.989 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.190 -9.707 -22.341 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.366 -9.786 -21.137 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -23.122 -9.318 -23.206 1.00 0.00 N ATOM 0 H GLN A 81 -18.954 -11.057 -21.019 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.151 -9.978 -23.625 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.952 -8.788 -21.492 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.742 -8.210 -23.133 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.938 -10.002 -24.074 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.578 -11.084 -22.744 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.907 -9.274 -24.202 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.052 -9.063 -22.873 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.151 -8.901 -20.697 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.156 -8.083 -20.025 1.00 0.00 C ATOM 1325 C ASP A 82 -14.760 -8.629 -20.334 1.00 0.00 C ATOM 1326 O ASP A 82 -13.895 -7.897 -20.812 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.351 -8.114 -18.508 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.454 -7.196 -17.979 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.536 -6.056 -18.486 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.191 -7.655 -17.080 1.00 0.00 O ATOM 0 H ASP A 82 -17.714 -9.483 -20.077 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.265 -7.059 -20.382 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.575 -9.137 -18.206 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.410 -7.840 -18.030 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.584 -9.911 -20.048 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.308 -10.563 -20.289 1.00 0.00 C ATOM 1337 C ARG A 83 -12.887 -10.381 -21.748 1.00 0.00 C ATOM 1338 O ARG A 83 -11.712 -10.153 -22.035 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.385 -12.057 -19.970 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.047 -12.573 -19.437 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.245 -13.821 -18.574 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.340 -14.900 -19.029 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.578 -15.682 -20.091 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.693 -15.510 -20.814 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.700 -16.636 -20.431 1.00 0.00 N ATOM 0 H ARG A 83 -15.304 -10.515 -19.652 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.570 -10.101 -19.634 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.168 -12.235 -19.232 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.661 -12.611 -20.868 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.384 -12.805 -20.271 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.561 -11.794 -18.850 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.046 -13.585 -17.528 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.281 -14.154 -18.634 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.482 -15.058 -18.501 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.361 -14.784 -20.556 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.874 -16.105 -21.622 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.851 -16.767 -19.881 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.881 -17.231 -21.239 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.868 -10.489 -22.632 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.613 -10.339 -24.055 1.00 0.00 C ATOM 1361 C ALA A 84 -12.950 -8.984 -24.310 1.00 0.00 C ATOM 1362 O ALA A 84 -12.190 -8.830 -25.265 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.923 -10.502 -24.828 1.00 0.00 C ATOM 0 H ALA A 84 -14.841 -10.679 -22.391 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.929 -11.112 -24.406 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.732 -10.390 -25.895 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.338 -11.491 -24.636 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.633 -9.741 -24.504 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.262 -8.035 -23.439 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.706 -6.698 -23.558 1.00 0.00 C ATOM 1371 C ALA A 85 -11.364 -6.641 -22.826 1.00 0.00 C ATOM 1372 O ALA A 85 -10.329 -6.381 -23.438 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.709 -5.678 -23.017 1.00 0.00 C ATOM 0 H ALA A 85 -13.893 -8.166 -22.648 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.522 -6.451 -24.603 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.292 -4.675 -23.106 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.634 -5.739 -23.590 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.917 -5.893 -21.969 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.425 -6.889 -21.526 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.227 -6.869 -20.703 1.00 0.00 C ATOM 1381 C TYR A 86 -9.034 -7.460 -21.458 1.00 0.00 C ATOM 1382 O TYR A 86 -7.948 -6.883 -21.458 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.534 -7.749 -19.490 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.299 -8.138 -18.675 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.791 -7.266 -17.733 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.693 -9.361 -18.881 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.629 -7.632 -16.966 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.531 -9.727 -18.114 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.056 -8.845 -17.194 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.958 -9.190 -16.470 1.00 0.00 O ATOM 0 H TYR A 86 -12.285 -7.105 -21.022 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.970 -5.847 -20.424 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.234 -7.224 -18.841 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.033 -8.657 -19.829 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.265 -6.309 -17.571 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.091 -10.043 -19.618 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.221 -6.959 -16.226 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.047 -10.681 -18.266 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.657 -10.083 -16.738 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.277 -8.603 -22.083 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.237 -9.279 -22.839 1.00 0.00 C ATOM 1402 C LYS A 87 -7.684 -8.326 -23.901 1.00 0.00 C ATOM 1403 O LYS A 87 -6.471 -8.175 -24.034 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.760 -10.598 -23.410 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.975 -11.787 -22.851 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.752 -12.851 -23.927 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.520 -13.702 -23.609 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.301 -13.078 -24.171 1.00 0.00 N ATOM 0 H LYS A 87 -10.180 -9.078 -22.081 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.406 -9.548 -22.187 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.817 -10.709 -23.168 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.681 -10.584 -24.497 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.014 -11.445 -22.468 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.516 -12.222 -22.011 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.632 -13.491 -23.999 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.626 -12.371 -24.898 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.415 -13.812 -22.530 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.646 -14.703 -24.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.474 -13.668 -23.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.398 -12.996 -25.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.174 -12.132 -23.759 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.601 -7.707 -24.630 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.221 -6.772 -25.676 1.00 0.00 C ATOM 1424 C GLU A 88 -7.035 -5.921 -25.221 1.00 0.00 C ATOM 1425 O GLU A 88 -6.143 -5.618 -26.013 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.405 -5.892 -26.081 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.377 -4.558 -25.333 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.708 -3.818 -25.482 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.751 -4.498 -25.371 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.652 -2.589 -25.705 1.00 0.00 O ATOM 0 H GLU A 88 -9.607 -7.835 -24.517 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.918 -7.342 -26.554 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.378 -5.711 -27.156 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.339 -6.412 -25.869 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.170 -4.733 -24.277 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.567 -3.938 -25.718 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.061 -5.558 -23.947 1.00 0.00 N ATOM 1438 CA TYR A 89 -5.999 -4.747 -23.377 1.00 0.00 C ATOM 1439 C TYR A 89 -4.803 -5.613 -22.977 1.00 0.00 C ATOM 1440 O TYR A 89 -3.654 -5.205 -23.140 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.588 -4.101 -22.121 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.544 -3.713 -21.072 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.900 -2.495 -21.157 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.247 -4.580 -20.041 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.918 -2.130 -20.170 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.264 -4.215 -19.054 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.648 -3.008 -19.167 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.720 -2.663 -18.235 1.00 0.00 O ATOM 0 H TYR A 89 -7.802 -5.811 -23.293 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.649 -4.011 -24.100 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.145 -3.210 -22.411 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.301 -4.791 -21.671 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.133 -1.816 -21.964 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.752 -5.532 -19.974 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.407 -1.180 -20.225 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.021 -4.885 -18.242 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.631 -3.385 -17.579 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.113 -6.793 -22.460 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.078 -7.720 -22.035 1.00 0.00 C ATOM 1460 C ILE A 90 -3.147 -8.013 -23.213 1.00 0.00 C ATOM 1461 O ILE A 90 -1.946 -7.759 -23.138 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.702 -8.973 -21.417 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.624 -8.609 -20.251 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.623 -9.975 -21.004 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.829 -8.450 -18.953 1.00 0.00 C ATOM 0 H ILE A 90 -6.067 -7.128 -22.326 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.468 -7.276 -21.249 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.318 -9.457 -22.175 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.151 -7.681 -20.475 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.381 -9.383 -20.126 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.093 -10.856 -20.568 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.044 -10.268 -21.880 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.962 -9.515 -20.270 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.508 -8.191 -18.140 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.323 -9.387 -18.719 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.089 -7.658 -19.074 1.00 0.00 H new