USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 863 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 96 SER OG : rot 45:sc= 1.54 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -173:sc= 1.13 (180deg=0.965) USER MOD Set 2.1: A 97 CYS SG : rot 24:sc= -1.13 USER MOD Set 2.2: A 102 CYS SG : rot 170:sc= -0.456 USER MOD Set 2.3: A 104 LYS NZ :NH3+ 174:sc= 0.0528 (180deg=-0.0527) USER MOD Set 2.4: A 115 HIS : no HE2:sc= 0.16 K(o=-1.8,f=-5.9) USER MOD Set 2.5: A 116 HIS :FLIP no HE2:sc= -0.0282 F(o=-3.7,f=-1.8) USER MOD Set 2.6: A 119 HIS : no HE2:sc= -0.409 K(o=-1.8,f=-5.9) USER MOD Set 3.1: A 68 GLN : amide:sc= -2.8! C(o=-1.9!,f=-3.7!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -131:sc= 0.864 (180deg=-0.36) USER MOD Set 4.1: A 69 CYS SG : rot 110:sc= 2.32 USER MOD Set 4.2: A 71 THR OG1 : rot 76:sc= 0.119 USER MOD Set 4.3: A 72 CYS SG : rot -100:sc= -0.206 USER MOD Set 4.4: A 85 HIS : no HD1:sc= -0.69 K(o=1.9,f=-0.61) USER MOD Set 4.5: A 89 HIS : no HE2:sc= 0.335 K(o=1.9,f=0.082) USER MOD Set 5.1: A 39 CYS SG : rot 45:sc= 1.32 USER MOD Set 5.2: A 57 HIS :FLIP no HE2:sc= -2.63! C(o=-1.5!,f=-0.69!) USER MOD Set 5.3: A 58 GLN :FLIP amide:sc= 0.563 X(o=-0.9,f=-0.69) USER MOD Set 5.4: A 61 HIS : no HE2:sc= 0.0515 K(o=-0.69,f=-2.3) USER MOD Set 6.1: A 37 TYR OH : rot 50:sc= 1.18 USER MOD Set 6.2: A 51 SER OG : rot 180:sc= 1.23 USER MOD Set 7.1: A 9 CYS SG : rot 159:sc= 0.729 USER MOD Set 7.2: A 14 CYS SG : rot 80:sc= -2.69! USER MOD Set 7.3: A 18 TYR OH : rot 180:sc= -0.0378 USER MOD Set 7.4: A 27 HIS : no HE2:sc= -1.22 K(o=-7.8,f=-10) USER MOD Set 7.5: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.6: A 31 HIS : no HE2:sc= -4.62! K(o=-7.8!,f=-11) USER MOD Set 8.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 15 ASN : amide:sc= 0.173 X(o=0.17,f=-0.13) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0.273 (180deg=0.117) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00835 USER MOD Single : A 23 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-7.1!) USER MOD Single : A 25 GLN : amide:sc= 0.818 K(o=0.82,f=-6.2!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -46:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot -53:sc= 1.14 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.17 K(o=1.2,f=-7.4!) USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= 0.302 (180deg=0.135) USER MOD Single : A 62 THR OG1 : rot -76:sc= -0.325 USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= 0.172 (180deg=-0.0153) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0115 F(o=-0.89!,f=-0.011) USER MOD Single : A 77 SER OG : rot -87:sc= 1.09 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.419 K(o=-0.42,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= -0.0182 (180deg=-0.0183) USER MOD Single : A 84 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 86 THR OG1 : rot 86:sc= 1.16 USER MOD Single : A 88 THR OG1 : rot 104:sc= 1.21 USER MOD Single : A 90 THR OG1 : rot 83:sc= 0.857 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 0.56 (180deg=0.43) USER MOD Single : A 101 SER OG : rot 51:sc= 1.15 USER MOD Single : A 103 GLN : amide:sc= 0.937 K(o=0.94,f=-4.1!) USER MOD Single : A 109 SER OG : rot 180:sc=0.000516 USER MOD Single : A 117 ASN : amide:sc= 1.03 K(o=1,f=-0.064) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 12.903 16.517 -7.538 1.00 0.00 N ATOM 98 CA PHE A 7 12.352 15.854 -6.349 1.00 0.00 C ATOM 99 C PHE A 7 12.726 14.366 -6.353 1.00 0.00 C ATOM 100 O PHE A 7 12.061 13.572 -6.984 1.00 0.00 O ATOM 101 CB PHE A 7 10.814 15.997 -6.337 1.00 0.00 C ATOM 102 CG PHE A 7 10.258 17.405 -6.442 1.00 0.00 C ATOM 103 CD1 PHE A 7 10.141 18.208 -5.293 1.00 0.00 C ATOM 104 CD2 PHE A 7 9.808 17.896 -7.683 1.00 0.00 C ATOM 105 CE1 PHE A 7 9.588 19.497 -5.392 1.00 0.00 C ATOM 106 CE2 PHE A 7 9.248 19.183 -7.777 1.00 0.00 C ATOM 107 CZ PHE A 7 9.147 19.989 -6.632 1.00 0.00 C ATOM 0 HA PHE A 7 12.769 16.325 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.412 15.410 -7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.438 15.551 -5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.475 17.835 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.893 17.281 -8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 7 9.502 20.113 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.896 19.551 -8.729 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.732 20.983 -6.704 1.00 0.00 H new ATOM 117 N MET A 8 13.766 13.983 -5.612 1.00 0.00 N ATOM 118 CA MET A 8 14.168 12.569 -5.570 1.00 0.00 C ATOM 119 C MET A 8 13.599 11.891 -4.343 1.00 0.00 C ATOM 120 O MET A 8 13.601 12.459 -3.248 1.00 0.00 O ATOM 121 CB MET A 8 15.694 12.441 -5.573 1.00 0.00 C ATOM 122 CG MET A 8 16.229 11.044 -5.890 1.00 0.00 C ATOM 123 SD MET A 8 18.037 10.944 -5.823 1.00 0.00 S ATOM 124 CE MET A 8 18.223 10.568 -4.058 1.00 0.00 C ATOM 0 H MET A 8 14.336 14.611 -5.044 1.00 0.00 H new ATOM 0 HA MET A 8 13.772 12.079 -6.460 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.100 13.142 -6.302 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.070 12.744 -4.596 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.805 10.330 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.891 10.749 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.281 10.467 -3.817 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.791 11.375 -3.467 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.708 9.635 -3.829 1.00 0.00 H new ATOM 134 N CYS A 9 13.128 10.664 -4.533 1.00 0.00 N ATOM 135 CA CYS A 9 12.645 9.837 -3.438 1.00 0.00 C ATOM 136 C CYS A 9 13.768 9.605 -2.395 1.00 0.00 C ATOM 137 O CYS A 9 14.960 9.705 -2.712 1.00 0.00 O ATOM 138 CB CYS A 9 12.148 8.495 -4.000 1.00 0.00 C ATOM 139 SG CYS A 9 11.912 7.214 -2.755 1.00 0.00 S ATOM 0 H CYS A 9 13.071 10.217 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 9 11.822 10.347 -2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.204 8.659 -4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.862 8.138 -4.742 1.00 0.00 H new ATOM 0 HG CYS A 9 11.095 6.311 -3.211 1.00 0.00 H new ATOM 144 N ALA A 10 13.369 9.331 -1.147 1.00 0.00 N ATOM 145 CA ALA A 10 14.320 9.132 -0.047 1.00 0.00 C ATOM 146 C ALA A 10 14.268 7.679 0.486 1.00 0.00 C ATOM 147 O ALA A 10 15.162 7.253 1.219 1.00 0.00 O ATOM 148 CB ALA A 10 14.003 10.116 1.084 1.00 0.00 C ATOM 0 H ALA A 10 12.390 9.242 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 10 15.326 9.314 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.708 9.970 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.086 11.137 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.989 9.942 1.444 1.00 0.00 H new ATOM 154 N TYR A 11 13.234 6.920 0.086 1.00 0.00 N ATOM 155 CA TYR A 11 13.066 5.536 0.535 1.00 0.00 C ATOM 156 C TYR A 11 14.177 4.628 -0.065 1.00 0.00 C ATOM 157 O TYR A 11 14.264 4.467 -1.292 1.00 0.00 O ATOM 158 CB TYR A 11 11.680 5.016 0.113 1.00 0.00 C ATOM 159 CG TYR A 11 11.347 3.609 0.581 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.752 2.519 -0.207 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.621 3.377 1.769 1.00 0.00 C ATOM 162 CE1 TYR A 11 11.467 1.211 0.204 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.361 2.057 2.200 1.00 0.00 C ATOM 164 CZ TYR A 11 10.834 0.968 1.437 1.00 0.00 C ATOM 165 OH TYR A 11 10.742 -0.314 1.887 1.00 0.00 O ATOM 0 H TYR A 11 12.504 7.246 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 11 13.146 5.510 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.921 5.698 0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.614 5.045 -0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.284 2.690 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.262 4.213 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.736 0.380 -0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.803 1.882 3.108 1.00 0.00 H new ATOM 0 HH TYR A 11 10.281 -0.325 2.752 1.00 0.00 H new ATOM 175 N PRO A 12 15.046 4.035 0.796 1.00 0.00 N ATOM 176 CA PRO A 12 16.103 3.132 0.343 1.00 0.00 C ATOM 177 C PRO A 12 15.521 1.871 -0.285 1.00 0.00 C ATOM 178 O PRO A 12 14.956 1.027 0.407 1.00 0.00 O ATOM 179 CB PRO A 12 16.892 2.805 1.620 1.00 0.00 C ATOM 180 CG PRO A 12 15.898 3.008 2.762 1.00 0.00 C ATOM 181 CD PRO A 12 15.000 4.129 2.252 1.00 0.00 C ATOM 0 HA PRO A 12 16.729 3.579 -0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.267 1.782 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.757 3.460 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 12 15.331 2.100 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.401 3.286 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.981 4.013 2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 12 15.354 5.102 2.594 1.00 0.00 H new ATOM 189 N GLY A 13 15.577 1.796 -1.619 1.00 0.00 N ATOM 190 CA GLY A 13 14.862 0.766 -2.365 1.00 0.00 C ATOM 191 C GLY A 13 14.309 1.346 -3.679 1.00 0.00 C ATOM 192 O GLY A 13 14.144 0.633 -4.666 1.00 0.00 O ATOM 0 H GLY A 13 16.112 2.440 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.531 -0.067 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.045 0.371 -1.761 1.00 0.00 H new ATOM 196 N CYS A 14 14.115 2.683 -3.685 1.00 0.00 N ATOM 197 CA CYS A 14 13.743 3.431 -4.887 1.00 0.00 C ATOM 198 C CYS A 14 14.733 4.600 -5.121 1.00 0.00 C ATOM 199 O CYS A 14 15.674 4.475 -5.909 1.00 0.00 O ATOM 200 CB CYS A 14 12.324 3.967 -4.734 1.00 0.00 C ATOM 201 SG CYS A 14 11.885 5.183 -5.999 1.00 0.00 S ATOM 0 H CYS A 14 14.214 3.265 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 14 13.785 2.765 -5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.621 3.135 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.218 4.422 -3.749 1.00 0.00 H new ATOM 0 HG CYS A 14 11.564 4.569 -7.099 1.00 0.00 H new ATOM 206 N ASN A 15 14.530 5.717 -4.389 1.00 0.00 N ATOM 207 CA ASN A 15 15.415 6.899 -4.473 1.00 0.00 C ATOM 208 C ASN A 15 15.528 7.427 -5.941 1.00 0.00 C ATOM 209 O ASN A 15 16.588 7.895 -6.364 1.00 0.00 O ATOM 210 CB ASN A 15 16.830 6.546 -3.910 1.00 0.00 C ATOM 211 CG ASN A 15 17.014 6.915 -2.445 1.00 0.00 C ATOM 212 OD1 ASN A 15 17.923 7.642 -2.077 1.00 0.00 O ATOM 213 ND2 ASN A 15 16.198 6.404 -1.552 1.00 0.00 N ATOM 0 H ASN A 15 13.758 5.825 -3.731 1.00 0.00 H new ATOM 0 HA ASN A 15 14.977 7.694 -3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.003 5.477 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.586 7.060 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.327 6.616 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.435 5.795 -1.848 1.00 0.00 H new ATOM 220 N LYS A 16 14.412 7.382 -6.691 1.00 0.00 N ATOM 221 CA LYS A 16 14.385 7.884 -8.079 1.00 0.00 C ATOM 222 C LYS A 16 14.007 9.352 -8.125 1.00 0.00 C ATOM 223 O LYS A 16 13.468 9.894 -7.166 1.00 0.00 O ATOM 224 CB LYS A 16 13.374 7.064 -8.916 1.00 0.00 C ATOM 225 CG LYS A 16 14.056 6.118 -9.918 1.00 0.00 C ATOM 226 CD LYS A 16 14.858 4.973 -9.285 1.00 0.00 C ATOM 227 CE LYS A 16 13.948 3.941 -8.613 1.00 0.00 C ATOM 228 NZ LYS A 16 14.734 2.790 -8.131 1.00 0.00 N ATOM 0 H LYS A 16 13.522 7.006 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 16 15.386 7.773 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.743 6.481 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.719 7.747 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.293 5.691 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.724 6.703 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.458 4.483 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.552 5.379 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.420 4.403 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.191 3.601 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.092 2.011 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.384 2.476 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.281 3.070 -7.292 1.00 0.00 H new ATOM 242 N ARG A 17 14.298 10.000 -9.261 1.00 0.00 N ATOM 243 CA ARG A 17 14.120 11.445 -9.397 1.00 0.00 C ATOM 244 C ARG A 17 12.807 11.782 -10.106 1.00 0.00 C ATOM 245 O ARG A 17 12.409 11.115 -11.059 1.00 0.00 O ATOM 246 CB ARG A 17 15.300 12.045 -10.184 1.00 0.00 C ATOM 247 CG ARG A 17 16.581 12.010 -9.343 1.00 0.00 C ATOM 248 CD ARG A 17 17.789 12.601 -10.067 1.00 0.00 C ATOM 249 NE ARG A 17 18.928 12.671 -9.140 1.00 0.00 N ATOM 250 CZ ARG A 17 20.094 13.270 -9.344 1.00 0.00 C ATOM 251 NH1 ARG A 17 20.400 13.858 -10.481 1.00 0.00 N ATOM 252 NH2 ARG A 17 20.986 13.285 -8.382 1.00 0.00 N ATOM 0 H ARG A 17 14.658 9.542 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 17 14.086 11.875 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.450 11.487 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.071 13.073 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.415 12.560 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.799 10.978 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.046 11.987 -10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.550 13.596 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 17 18.808 12.207 -8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 17 19.728 13.865 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 17 21.309 14.307 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 17 20.780 12.839 -7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 17 21.886 13.743 -8.528 1.00 0.00 H new ATOM 266 N TYR A 18 12.164 12.846 -9.634 1.00 0.00 N ATOM 267 CA TYR A 18 10.889 13.310 -10.163 1.00 0.00 C ATOM 268 C TYR A 18 10.972 14.801 -10.513 1.00 0.00 C ATOM 269 O TYR A 18 11.886 15.503 -10.074 1.00 0.00 O ATOM 270 CB TYR A 18 9.787 13.089 -9.118 1.00 0.00 C ATOM 271 CG TYR A 18 9.459 11.635 -8.848 1.00 0.00 C ATOM 272 CD1 TYR A 18 10.269 10.860 -7.995 1.00 0.00 C ATOM 273 CD2 TYR A 18 8.369 11.038 -9.505 1.00 0.00 C ATOM 274 CE1 TYR A 18 10.034 9.479 -7.861 1.00 0.00 C ATOM 275 CE2 TYR A 18 8.180 9.648 -9.434 1.00 0.00 C ATOM 276 CZ TYR A 18 9.050 8.859 -8.654 1.00 0.00 C ATOM 277 OH TYR A 18 8.964 7.504 -8.693 1.00 0.00 O ATOM 0 H TYR A 18 12.519 13.415 -8.865 1.00 0.00 H new ATOM 0 HA TYR A 18 10.655 12.746 -11.066 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.091 13.559 -8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.882 13.597 -9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.072 11.326 -7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.676 11.649 -10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.606 8.898 -7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.369 9.184 -9.976 1.00 0.00 H new ATOM 0 HH TYR A 18 8.231 7.240 -9.287 1.00 0.00 H new ATOM 287 N PHE A 19 10.006 15.279 -11.297 1.00 0.00 N ATOM 288 CA PHE A 19 10.029 16.656 -11.806 1.00 0.00 C ATOM 289 C PHE A 19 8.811 17.460 -11.315 1.00 0.00 C ATOM 290 O PHE A 19 8.758 18.677 -11.486 1.00 0.00 O ATOM 291 CB PHE A 19 10.045 16.632 -13.336 1.00 0.00 C ATOM 292 CG PHE A 19 11.242 15.887 -13.899 1.00 0.00 C ATOM 293 CD1 PHE A 19 12.491 16.531 -13.991 1.00 0.00 C ATOM 294 CD2 PHE A 19 11.125 14.535 -14.280 1.00 0.00 C ATOM 295 CE1 PHE A 19 13.615 15.830 -14.466 1.00 0.00 C ATOM 296 CE2 PHE A 19 12.249 13.833 -14.749 1.00 0.00 C ATOM 297 CZ PHE A 19 13.493 14.481 -14.845 1.00 0.00 C ATOM 0 H PHE A 19 9.196 14.735 -11.595 1.00 0.00 H new ATOM 0 HA PHE A 19 10.928 17.143 -11.429 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.129 16.165 -13.697 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.050 17.655 -13.711 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.587 17.566 -13.696 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.169 14.037 -14.211 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.571 16.328 -14.539 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.157 12.796 -15.036 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.355 13.943 -15.210 1.00 0.00 H new ATOM 307 N LYS A 20 7.858 16.774 -10.669 1.00 0.00 N ATOM 308 CA LYS A 20 6.673 17.428 -10.099 1.00 0.00 C ATOM 309 C LYS A 20 6.539 17.082 -8.623 1.00 0.00 C ATOM 310 O LYS A 20 6.611 15.917 -8.244 1.00 0.00 O ATOM 311 CB LYS A 20 5.401 16.978 -10.850 1.00 0.00 C ATOM 312 CG LYS A 20 5.447 17.047 -12.389 1.00 0.00 C ATOM 313 CD LYS A 20 5.544 18.485 -12.916 1.00 0.00 C ATOM 314 CE LYS A 20 5.665 18.483 -14.442 1.00 0.00 C ATOM 315 NZ LYS A 20 5.800 19.856 -14.967 1.00 0.00 N ATOM 0 H LYS A 20 7.885 15.764 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 20 6.790 18.506 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.181 15.950 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.568 17.591 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.302 16.474 -12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.553 16.575 -12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.662 19.050 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.408 18.984 -12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.529 17.890 -14.740 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.786 18.008 -14.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.880 19.825 -16.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.963 20.413 -14.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.652 20.298 -14.567 1.00 0.00 H new ATOM 329 N LEU A 21 6.247 18.087 -7.809 1.00 0.00 N ATOM 330 CA LEU A 21 6.001 17.869 -6.385 1.00 0.00 C ATOM 331 C LEU A 21 4.783 16.931 -6.193 1.00 0.00 C ATOM 332 O LEU A 21 4.844 15.975 -5.438 1.00 0.00 O ATOM 333 CB LEU A 21 5.751 19.217 -5.677 1.00 0.00 C ATOM 334 CG LEU A 21 6.207 19.253 -4.198 1.00 0.00 C ATOM 335 CD1 LEU A 21 5.791 20.589 -3.578 1.00 0.00 C ATOM 336 CD2 LEU A 21 5.690 18.112 -3.317 1.00 0.00 C ATOM 0 H LEU A 21 6.174 19.060 -8.107 1.00 0.00 H new ATOM 0 HA LEU A 21 6.880 17.399 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.270 20.004 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.686 19.446 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 21 7.289 19.128 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.109 20.621 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.260 21.406 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.707 20.692 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.069 18.235 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.600 18.129 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.032 17.158 -3.719 1.00 0.00 H new ATOM 348 N SER A 22 3.694 17.224 -6.912 1.00 0.00 N ATOM 349 CA SER A 22 2.442 16.443 -6.829 1.00 0.00 C ATOM 350 C SER A 22 2.586 15.021 -7.405 1.00 0.00 C ATOM 351 O SER A 22 1.966 14.078 -6.905 1.00 0.00 O ATOM 352 CB SER A 22 1.332 17.180 -7.581 1.00 0.00 C ATOM 353 OG SER A 22 1.771 17.557 -8.875 1.00 0.00 O ATOM 0 H SER A 22 3.649 18.005 -7.567 1.00 0.00 H new ATOM 0 HA SER A 22 2.195 16.343 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.453 16.540 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.032 18.065 -7.021 1.00 0.00 H new ATOM 0 HG SER A 22 1.048 18.025 -9.342 1.00 0.00 H new ATOM 359 N HIS A 23 3.378 14.880 -8.470 1.00 0.00 N ATOM 360 CA HIS A 23 3.554 13.564 -9.104 1.00 0.00 C ATOM 361 C HIS A 23 4.510 12.704 -8.264 1.00 0.00 C ATOM 362 O HIS A 23 4.249 11.522 -8.027 1.00 0.00 O ATOM 363 CB HIS A 23 4.049 13.720 -10.575 1.00 0.00 C ATOM 364 CG HIS A 23 5.429 13.469 -11.164 1.00 0.00 C ATOM 365 ND1 HIS A 23 5.621 13.033 -12.459 1.00 0.00 N ATOM 366 CD2 HIS A 23 6.654 13.864 -10.712 1.00 0.00 C ATOM 367 CE1 HIS A 23 6.922 13.169 -12.766 1.00 0.00 C ATOM 368 NE2 HIS A 23 7.593 13.685 -11.731 1.00 0.00 N ATOM 0 H HIS A 23 3.899 15.640 -8.907 1.00 0.00 H new ATOM 0 HA HIS A 23 2.592 13.054 -9.145 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.380 13.089 -11.160 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.821 14.754 -10.835 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.897 12.669 -13.079 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.864 14.252 -9.726 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.363 12.900 -13.714 1.00 0.00 H new ATOM 376 N LEU A 24 5.513 13.354 -7.669 1.00 0.00 N ATOM 377 CA LEU A 24 6.359 12.713 -6.677 1.00 0.00 C ATOM 378 C LEU A 24 5.564 12.419 -5.378 1.00 0.00 C ATOM 379 O LEU A 24 5.725 11.363 -4.770 1.00 0.00 O ATOM 380 CB LEU A 24 7.568 13.605 -6.367 1.00 0.00 C ATOM 381 CG LEU A 24 8.639 13.101 -5.367 1.00 0.00 C ATOM 382 CD1 LEU A 24 8.459 13.733 -3.982 1.00 0.00 C ATOM 383 CD2 LEU A 24 8.754 11.585 -5.190 1.00 0.00 C ATOM 0 H LEU A 24 5.754 14.326 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 24 6.708 11.764 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.072 13.815 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.188 14.555 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 24 9.567 13.421 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.228 13.356 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.546 14.817 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.475 13.476 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.537 11.362 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.804 11.187 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.002 11.125 -6.146 1.00 0.00 H new ATOM 395 N GLN A 25 4.658 13.325 -5.011 1.00 0.00 N ATOM 396 CA GLN A 25 3.774 13.114 -3.867 1.00 0.00 C ATOM 397 C GLN A 25 2.952 11.840 -4.058 1.00 0.00 C ATOM 398 O GLN A 25 2.842 11.023 -3.144 1.00 0.00 O ATOM 399 CB GLN A 25 2.839 14.328 -3.694 1.00 0.00 C ATOM 400 CG GLN A 25 1.553 14.173 -2.857 1.00 0.00 C ATOM 401 CD GLN A 25 0.363 13.459 -3.504 1.00 0.00 C ATOM 402 OE1 GLN A 25 -0.419 12.815 -2.823 1.00 0.00 O ATOM 403 NE2 GLN A 25 0.155 13.518 -4.807 1.00 0.00 N ATOM 0 H GLN A 25 4.518 14.214 -5.491 1.00 0.00 H new ATOM 0 HA GLN A 25 4.382 13.003 -2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.425 15.133 -3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.545 14.660 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.810 13.636 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.225 15.169 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.792 14.049 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.642 13.033 -5.219 1.00 0.00 H new ATOM 412 N MET A 26 2.441 11.638 -5.283 1.00 0.00 N ATOM 413 CA MET A 26 1.726 10.414 -5.624 1.00 0.00 C ATOM 414 C MET A 26 2.651 9.195 -5.487 1.00 0.00 C ATOM 415 O MET A 26 2.289 8.203 -4.854 1.00 0.00 O ATOM 416 CB MET A 26 1.183 10.504 -7.062 1.00 0.00 C ATOM 417 CG MET A 26 0.150 9.406 -7.332 1.00 0.00 C ATOM 418 SD MET A 26 -1.373 9.578 -6.364 1.00 0.00 S ATOM 419 CE MET A 26 -2.051 7.913 -6.567 1.00 0.00 C ATOM 0 H MET A 26 2.513 12.310 -6.047 1.00 0.00 H new ATOM 0 HA MET A 26 0.890 10.296 -4.934 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.729 11.482 -7.222 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.006 10.415 -7.771 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.102 9.411 -8.392 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.599 8.437 -7.116 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.998 7.838 -6.032 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.216 7.714 -7.626 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.348 7.183 -6.166 1.00 0.00 H new ATOM 429 N HIS A 27 3.891 9.321 -5.996 1.00 0.00 N ATOM 430 CA HIS A 27 4.872 8.229 -5.923 1.00 0.00 C ATOM 431 C HIS A 27 5.126 7.816 -4.458 1.00 0.00 C ATOM 432 O HIS A 27 5.226 6.628 -4.156 1.00 0.00 O ATOM 433 CB HIS A 27 6.206 8.667 -6.574 1.00 0.00 C ATOM 434 CG HIS A 27 7.347 7.800 -6.115 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.521 6.461 -6.390 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.319 8.173 -5.230 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.606 6.050 -5.710 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.124 7.071 -5.015 1.00 0.00 N ATOM 0 H HIS A 27 4.233 10.163 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 27 4.467 7.373 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.119 8.613 -7.659 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.412 9.707 -6.322 1.00 0.00 H new ATOM 0 HD1 HIS A 27 6.935 5.888 -6.997 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.436 9.149 -4.782 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.001 5.045 -5.722 1.00 0.00 H new ATOM 446 N SER A 28 5.117 8.795 -3.543 1.00 0.00 N ATOM 447 CA SER A 28 5.384 8.532 -2.124 1.00 0.00 C ATOM 448 C SER A 28 4.366 7.527 -1.550 1.00 0.00 C ATOM 449 O SER A 28 4.728 6.648 -0.761 1.00 0.00 O ATOM 450 CB SER A 28 5.326 9.848 -1.323 1.00 0.00 C ATOM 451 OG SER A 28 4.009 10.287 -1.038 1.00 0.00 O ATOM 0 H SER A 28 4.928 9.774 -3.760 1.00 0.00 H new ATOM 0 HA SER A 28 6.381 8.100 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.866 9.716 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.845 10.626 -1.883 1.00 0.00 H new ATOM 0 HG SER A 28 3.460 10.220 -1.847 1.00 0.00 H new ATOM 457 N ARG A 29 3.109 7.605 -2.030 1.00 0.00 N ATOM 458 CA ARG A 29 2.051 6.687 -1.591 1.00 0.00 C ATOM 459 C ARG A 29 2.466 5.228 -1.818 1.00 0.00 C ATOM 460 O ARG A 29 2.162 4.361 -1.002 1.00 0.00 O ATOM 461 CB ARG A 29 0.739 6.986 -2.335 1.00 0.00 C ATOM 462 CG ARG A 29 0.268 8.424 -2.041 1.00 0.00 C ATOM 463 CD ARG A 29 -1.101 8.748 -2.646 1.00 0.00 C ATOM 464 NE ARG A 29 -1.475 10.140 -2.332 1.00 0.00 N ATOM 465 CZ ARG A 29 -2.387 10.570 -1.468 1.00 0.00 C ATOM 466 NH1 ARG A 29 -3.216 9.772 -0.843 1.00 0.00 N ATOM 467 NH2 ARG A 29 -2.446 11.846 -1.179 1.00 0.00 N ATOM 0 H ARG A 29 2.807 8.293 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 29 1.893 6.838 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.885 6.857 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.029 6.276 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.225 8.571 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.005 9.127 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.073 8.605 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.853 8.063 -2.253 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.969 10.863 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.180 8.766 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.898 10.156 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.795 12.499 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.143 12.187 -0.517 1.00 0.00 H new ATOM 481 N LYS A 30 3.155 4.963 -2.944 1.00 0.00 N ATOM 482 CA LYS A 30 3.573 3.595 -3.298 1.00 0.00 C ATOM 483 C LYS A 30 4.483 2.984 -2.211 1.00 0.00 C ATOM 484 O LYS A 30 4.446 1.778 -1.978 1.00 0.00 O ATOM 485 CB LYS A 30 4.308 3.598 -4.669 1.00 0.00 C ATOM 486 CG LYS A 30 5.852 3.634 -4.755 1.00 0.00 C ATOM 487 CD LYS A 30 6.542 2.263 -4.617 1.00 0.00 C ATOM 488 CE LYS A 30 7.976 2.354 -5.149 1.00 0.00 C ATOM 489 NZ LYS A 30 8.704 1.083 -4.969 1.00 0.00 N ATOM 0 H LYS A 30 3.432 5.674 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 30 2.676 2.979 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.981 2.708 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.939 4.460 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.138 4.074 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.229 4.295 -3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.550 1.952 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.985 1.507 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.956 2.616 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.506 3.154 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.671 1.181 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.744 0.846 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.211 0.325 -5.483 1.00 0.00 H new ATOM 503 N HIS A 31 5.291 3.826 -1.539 1.00 0.00 N ATOM 504 CA HIS A 31 6.260 3.330 -0.550 1.00 0.00 C ATOM 505 C HIS A 31 5.577 2.983 0.780 1.00 0.00 C ATOM 506 O HIS A 31 6.107 2.200 1.557 1.00 0.00 O ATOM 507 CB HIS A 31 7.374 4.357 -0.323 1.00 0.00 C ATOM 508 CG HIS A 31 8.425 4.187 -1.386 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.050 2.996 -1.686 1.00 0.00 N ATOM 510 CD2 HIS A 31 8.924 5.138 -2.234 1.00 0.00 C ATOM 511 CE1 HIS A 31 9.927 3.225 -2.663 1.00 0.00 C ATOM 512 NE2 HIS A 31 9.868 4.502 -3.041 1.00 0.00 N ATOM 0 H HIS A 31 5.291 4.839 -1.662 1.00 0.00 H new ATOM 0 HA HIS A 31 6.700 2.417 -0.950 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.966 5.367 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.814 4.223 0.665 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.872 2.097 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.642 6.180 -2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.589 2.484 -3.087 1.00 0.00 H new ATOM 520 N THR A 32 4.386 3.555 1.033 1.00 0.00 N ATOM 521 CA THR A 32 3.588 3.161 2.220 1.00 0.00 C ATOM 522 C THR A 32 3.338 1.631 2.245 1.00 0.00 C ATOM 523 O THR A 32 3.200 1.042 3.315 1.00 0.00 O ATOM 524 CB THR A 32 2.223 3.882 2.238 1.00 0.00 C ATOM 525 OG1 THR A 32 1.385 3.450 1.194 1.00 0.00 O ATOM 526 CG2 THR A 32 2.333 5.409 2.177 1.00 0.00 C ATOM 0 H THR A 32 3.958 4.275 0.450 1.00 0.00 H new ATOM 0 HA THR A 32 4.165 3.450 3.098 1.00 0.00 H new ATOM 0 HB THR A 32 1.786 3.612 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.857 3.535 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.335 5.847 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.901 5.767 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.842 5.701 1.258 1.00 0.00 H new ATOM 592 N TYR A 37 7.739 -2.730 9.102 1.00 0.00 N ATOM 593 CA TYR A 37 7.363 -2.903 10.528 1.00 0.00 C ATOM 594 C TYR A 37 7.722 -4.337 11.010 1.00 0.00 C ATOM 595 O TYR A 37 8.091 -5.191 10.211 1.00 0.00 O ATOM 596 CB TYR A 37 5.847 -2.669 10.720 1.00 0.00 C ATOM 597 CG TYR A 37 5.232 -1.307 10.453 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.745 -0.982 9.172 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.994 -0.432 11.534 1.00 0.00 C ATOM 600 CE1 TYR A 37 4.025 0.212 8.975 1.00 0.00 C ATOM 601 CE2 TYR A 37 4.251 0.750 11.347 1.00 0.00 C ATOM 602 CZ TYR A 37 3.747 1.062 10.067 1.00 0.00 C ATOM 603 OH TYR A 37 2.980 2.171 9.876 1.00 0.00 O ATOM 0 HA TYR A 37 7.918 -2.172 11.116 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.329 -3.385 10.082 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.610 -2.931 11.751 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.924 -1.648 8.341 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.384 -0.670 12.512 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.684 0.478 7.985 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.068 1.414 12.179 1.00 0.00 H new ATOM 0 HH TYR A 37 2.159 1.923 9.402 1.00 0.00 H new ATOM 613 N GLN A 38 7.545 -4.591 12.317 1.00 0.00 N ATOM 614 CA GLN A 38 7.632 -5.961 12.877 1.00 0.00 C ATOM 615 C GLN A 38 6.436 -6.232 13.798 1.00 0.00 C ATOM 616 O GLN A 38 5.862 -5.302 14.368 1.00 0.00 O ATOM 617 CB GLN A 38 8.954 -6.132 13.659 1.00 0.00 C ATOM 618 CG GLN A 38 9.073 -7.512 14.350 1.00 0.00 C ATOM 619 CD GLN A 38 10.447 -7.835 14.928 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.478 -7.435 14.408 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.503 -8.596 16.008 1.00 0.00 N ATOM 0 H GLN A 38 7.341 -3.870 13.009 1.00 0.00 H new ATOM 0 HA GLN A 38 7.613 -6.678 12.056 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.793 -6.000 12.976 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.029 -5.347 14.412 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.338 -7.562 15.153 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.810 -8.285 13.628 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.642 -8.930 16.442 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.407 -8.849 16.407 1.00 0.00 H new ATOM 630 N CYS A 39 6.038 -7.512 13.886 1.00 0.00 N ATOM 631 CA CYS A 39 4.889 -7.925 14.694 1.00 0.00 C ATOM 632 C CYS A 39 4.899 -7.246 16.084 1.00 0.00 C ATOM 633 O CYS A 39 5.884 -7.326 16.825 1.00 0.00 O ATOM 634 CB CYS A 39 4.897 -9.432 14.858 1.00 0.00 C ATOM 635 SG CYS A 39 3.383 -9.831 15.754 1.00 0.00 S ATOM 0 H CYS A 39 6.502 -8.280 13.402 1.00 0.00 H new ATOM 0 HA CYS A 39 3.982 -7.614 14.176 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.922 -9.931 13.890 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.777 -9.762 15.410 1.00 0.00 H new ATOM 0 HG CYS A 39 2.387 -9.176 15.236 1.00 0.00 H new ATOM 731 N ARG A 46 8.176 -11.669 13.042 1.00 0.00 N ATOM 732 CA ARG A 46 7.750 -11.530 11.642 1.00 0.00 C ATOM 733 C ARG A 46 7.681 -10.062 11.254 1.00 0.00 C ATOM 734 O ARG A 46 7.057 -9.256 11.945 1.00 0.00 O ATOM 735 CB ARG A 46 6.371 -12.185 11.431 1.00 0.00 C ATOM 736 CG ARG A 46 6.436 -13.635 10.913 1.00 0.00 C ATOM 737 CD ARG A 46 6.901 -14.660 11.949 1.00 0.00 C ATOM 738 NE ARG A 46 5.970 -14.686 13.081 1.00 0.00 N ATOM 739 CZ ARG A 46 4.948 -15.485 13.331 1.00 0.00 C ATOM 740 NH1 ARG A 46 4.719 -16.578 12.636 1.00 0.00 N ATOM 741 NH2 ARG A 46 4.118 -15.171 14.293 1.00 0.00 N ATOM 0 HA ARG A 46 8.483 -12.033 11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.826 -12.172 12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.799 -11.583 10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.448 -13.923 10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.110 -13.671 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.960 -15.648 11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.903 -14.409 12.297 1.00 0.00 H new ATOM 0 HE ARG A 46 6.138 -13.972 13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.342 -16.836 11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.918 -17.168 12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.265 -14.321 14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.324 -15.777 14.499 1.00 0.00 H new ATOM 755 N ARG A 47 8.313 -9.721 10.130 1.00 0.00 N ATOM 756 CA ARG A 47 8.293 -8.353 9.619 1.00 0.00 C ATOM 757 C ARG A 47 7.182 -8.178 8.575 1.00 0.00 C ATOM 758 O ARG A 47 6.772 -9.136 7.922 1.00 0.00 O ATOM 759 CB ARG A 47 9.657 -8.003 8.997 1.00 0.00 C ATOM 760 CG ARG A 47 10.011 -8.804 7.731 1.00 0.00 C ATOM 761 CD ARG A 47 11.394 -8.407 7.210 1.00 0.00 C ATOM 762 NE ARG A 47 11.708 -9.112 5.958 1.00 0.00 N ATOM 763 CZ ARG A 47 12.860 -9.069 5.299 1.00 0.00 C ATOM 764 NH1 ARG A 47 13.889 -8.366 5.722 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.000 -9.743 4.180 1.00 0.00 N ATOM 0 H ARG A 47 8.845 -10.376 9.557 1.00 0.00 H new ATOM 0 HA ARG A 47 8.094 -7.678 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.668 -6.941 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.434 -8.167 9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.993 -9.871 7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.261 -8.626 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.429 -7.330 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.150 -8.638 7.961 1.00 0.00 H new ATOM 0 HE ARG A 47 10.969 -9.690 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.819 -7.828 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.757 -8.359 5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.224 -10.298 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.884 -9.711 3.673 1.00 0.00 H new ATOM 779 N PHE A 48 6.747 -6.932 8.399 1.00 0.00 N ATOM 780 CA PHE A 48 5.729 -6.577 7.411 1.00 0.00 C ATOM 781 C PHE A 48 6.143 -5.322 6.667 1.00 0.00 C ATOM 782 O PHE A 48 7.066 -4.629 7.081 1.00 0.00 O ATOM 783 CB PHE A 48 4.379 -6.345 8.110 1.00 0.00 C ATOM 784 CG PHE A 48 3.911 -7.635 8.724 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.438 -8.640 7.866 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.196 -7.919 10.073 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.333 -9.951 8.333 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.083 -9.236 10.542 1.00 0.00 C ATOM 789 CZ PHE A 48 3.714 -10.255 9.649 1.00 0.00 C ATOM 0 H PHE A 48 7.091 -6.138 8.939 1.00 0.00 H new ATOM 0 HA PHE A 48 5.627 -7.396 6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.481 -5.579 8.878 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.643 -5.982 7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.157 -8.400 6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.500 -7.128 10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.960 -10.729 7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.278 -9.464 11.580 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.724 -11.283 9.978 1.00 0.00 H new ATOM 799 N SER A 49 5.490 -5.050 5.540 1.00 0.00 N ATOM 800 CA SER A 49 5.874 -3.927 4.686 1.00 0.00 C ATOM 801 C SER A 49 4.849 -2.777 4.766 1.00 0.00 C ATOM 802 O SER A 49 4.974 -1.786 4.059 1.00 0.00 O ATOM 803 CB SER A 49 6.004 -4.406 3.235 1.00 0.00 C ATOM 804 OG SER A 49 4.745 -4.525 2.597 1.00 0.00 O ATOM 0 H SER A 49 4.695 -5.589 5.197 1.00 0.00 H new ATOM 0 HA SER A 49 6.832 -3.546 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.627 -3.707 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.512 -5.370 3.216 1.00 0.00 H new ATOM 0 HG SER A 49 4.873 -4.831 1.675 1.00 0.00 H new ATOM 810 N ARG A 50 3.844 -2.919 5.646 1.00 0.00 N ATOM 811 CA ARG A 50 2.828 -1.877 5.842 1.00 0.00 C ATOM 812 C ARG A 50 2.061 -2.108 7.146 1.00 0.00 C ATOM 813 O ARG A 50 1.945 -3.244 7.618 1.00 0.00 O ATOM 814 CB ARG A 50 1.848 -1.879 4.655 1.00 0.00 C ATOM 815 CG ARG A 50 0.792 -0.757 4.665 1.00 0.00 C ATOM 816 CD ARG A 50 0.163 -0.535 3.287 1.00 0.00 C ATOM 817 NE ARG A 50 -0.197 -1.815 2.643 1.00 0.00 N ATOM 818 CZ ARG A 50 -0.048 -2.142 1.368 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.209 -1.233 0.470 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.166 -3.380 0.986 1.00 0.00 N ATOM 0 H ARG A 50 3.715 -3.745 6.231 1.00 0.00 H new ATOM 0 HA ARG A 50 3.328 -0.910 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.423 -1.805 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.332 -2.839 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.010 -1.004 5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.254 0.170 5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.727 0.086 3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.861 0.010 2.651 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.606 -2.527 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.298 -0.255 0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.321 -1.500 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.375 -4.107 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.050 -3.623 0.002 1.00 0.00 H new ATOM 834 N SER A 51 1.497 -1.024 7.699 1.00 0.00 N ATOM 835 CA SER A 51 0.691 -1.098 8.923 1.00 0.00 C ATOM 836 C SER A 51 -0.473 -2.077 8.739 1.00 0.00 C ATOM 837 O SER A 51 -0.761 -2.879 9.615 1.00 0.00 O ATOM 838 CB SER A 51 0.138 0.302 9.280 1.00 0.00 C ATOM 839 OG SER A 51 0.774 1.362 8.578 1.00 0.00 O ATOM 0 H SER A 51 1.586 -0.083 7.315 1.00 0.00 H new ATOM 0 HA SER A 51 1.327 -1.453 9.734 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.931 0.326 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.253 0.466 10.351 1.00 0.00 H new ATOM 0 HG SER A 51 0.378 2.217 8.848 1.00 0.00 H new ATOM 845 N ASP A 52 -1.141 -1.987 7.583 1.00 0.00 N ATOM 846 CA ASP A 52 -2.275 -2.859 7.260 1.00 0.00 C ATOM 847 C ASP A 52 -1.884 -4.352 7.364 1.00 0.00 C ATOM 848 O ASP A 52 -2.635 -5.158 7.903 1.00 0.00 O ATOM 849 CB ASP A 52 -2.768 -2.553 5.836 1.00 0.00 C ATOM 850 CG ASP A 52 -3.959 -3.414 5.396 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.880 -3.594 6.228 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.917 -3.921 4.248 1.00 0.00 O ATOM 0 H ASP A 52 -0.913 -1.314 6.851 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.070 -2.666 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.050 -1.502 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.945 -2.702 5.137 1.00 0.00 H new ATOM 857 N GLN A 53 -0.695 -4.700 6.852 1.00 0.00 N ATOM 858 CA GLN A 53 -0.225 -6.098 6.844 1.00 0.00 C ATOM 859 C GLN A 53 0.183 -6.549 8.246 1.00 0.00 C ATOM 860 O GLN A 53 -0.088 -7.677 8.641 1.00 0.00 O ATOM 861 CB GLN A 53 0.964 -6.244 5.885 1.00 0.00 C ATOM 862 CG GLN A 53 0.484 -6.457 4.444 1.00 0.00 C ATOM 863 CD GLN A 53 -0.658 -5.526 4.040 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.448 -4.378 3.698 1.00 0.00 O ATOM 865 NE2 GLN A 53 -1.899 -5.979 4.047 1.00 0.00 N ATOM 0 H GLN A 53 -0.040 -4.036 6.438 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.046 -6.731 6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.589 -5.352 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.584 -7.086 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.323 -6.307 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.159 -7.491 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.090 -6.940 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.667 -5.368 3.768 1.00 0.00 H new ATOM 874 N LEU A 54 0.791 -5.642 9.008 1.00 0.00 N ATOM 875 CA LEU A 54 1.116 -5.900 10.408 1.00 0.00 C ATOM 876 C LEU A 54 -0.181 -6.099 11.242 1.00 0.00 C ATOM 877 O LEU A 54 -0.319 -7.083 11.966 1.00 0.00 O ATOM 878 CB LEU A 54 1.937 -4.717 10.961 1.00 0.00 C ATOM 879 CG LEU A 54 2.164 -4.616 12.469 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.719 -5.915 13.020 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.212 -3.542 12.769 1.00 0.00 C ATOM 0 H LEU A 54 1.069 -4.718 8.677 1.00 0.00 H new ATOM 0 HA LEU A 54 1.704 -6.815 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.916 -4.742 10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.448 -3.798 10.639 1.00 0.00 H new ATOM 0 HG LEU A 54 1.202 -4.380 12.924 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.872 -5.818 14.095 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.014 -6.723 12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.670 -6.138 12.537 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.368 -3.476 13.846 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.151 -3.804 12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.864 -2.580 12.393 1.00 0.00 H new ATOM 893 N LYS A 55 -1.143 -5.181 11.078 1.00 0.00 N ATOM 894 CA LYS A 55 -2.468 -5.296 11.717 1.00 0.00 C ATOM 895 C LYS A 55 -3.172 -6.594 11.293 1.00 0.00 C ATOM 896 O LYS A 55 -3.745 -7.294 12.121 1.00 0.00 O ATOM 897 CB LYS A 55 -3.330 -4.079 11.327 1.00 0.00 C ATOM 898 CG LYS A 55 -4.817 -4.133 11.712 1.00 0.00 C ATOM 899 CD LYS A 55 -5.536 -2.792 11.447 1.00 0.00 C ATOM 900 CE LYS A 55 -5.362 -2.231 10.025 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.887 -3.149 8.993 1.00 0.00 N ATOM 0 H LYS A 55 -1.030 -4.344 10.505 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.334 -5.321 12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.892 -3.192 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.263 -3.947 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.309 -4.925 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.908 -4.390 12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.600 -2.923 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.170 -2.053 12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.874 -1.272 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.305 -2.043 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.355 -3.018 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.783 -4.132 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.893 -2.944 8.825 1.00 0.00 H new ATOM 915 N ARG A 56 -3.090 -6.926 9.998 1.00 0.00 N ATOM 916 CA ARG A 56 -3.601 -8.205 9.491 1.00 0.00 C ATOM 917 C ARG A 56 -2.901 -9.379 10.194 1.00 0.00 C ATOM 918 O ARG A 56 -3.553 -10.305 10.664 1.00 0.00 O ATOM 919 CB ARG A 56 -3.378 -8.293 7.971 1.00 0.00 C ATOM 920 CG ARG A 56 -3.941 -9.558 7.306 1.00 0.00 C ATOM 921 CD ARG A 56 -3.594 -9.573 5.810 1.00 0.00 C ATOM 922 NE ARG A 56 -2.162 -9.833 5.569 1.00 0.00 N ATOM 923 CZ ARG A 56 -1.555 -9.816 4.387 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.173 -9.444 3.288 1.00 0.00 N ATOM 925 NH2 ARG A 56 -0.298 -10.173 4.288 1.00 0.00 N ATOM 0 H ARG A 56 -2.675 -6.327 9.284 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.669 -8.262 9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.832 -7.421 7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.308 -8.241 7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.532 -10.445 7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.023 -9.595 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.189 -10.337 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.867 -8.615 5.367 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.586 -10.045 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.151 -9.156 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.675 -9.444 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.216 -10.465 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.166 -10.159 3.380 1.00 0.00 H new ATOM 939 N HIS A 57 -1.571 -9.291 10.321 1.00 0.00 N ATOM 940 CA HIS A 57 -0.775 -10.346 10.950 1.00 0.00 C ATOM 941 C HIS A 57 -1.195 -10.564 12.414 1.00 0.00 C ATOM 942 O HIS A 57 -1.269 -11.695 12.874 1.00 0.00 O ATOM 943 CB HIS A 57 0.713 -9.988 10.890 1.00 0.00 C ATOM 944 CG HIS A 57 1.543 -11.040 11.587 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.190 -10.891 12.782 1.00 0.00 N flip ATOM 946 CD2 HIS A 57 1.733 -12.338 11.167 1.00 0.00 C flip ATOM 947 CE1 HIS A 57 2.768 -12.122 13.102 1.00 0.00 C flip ATOM 948 NE2 HIS A 57 2.498 -12.952 12.090 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.024 -8.495 9.994 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.951 -11.271 10.401 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.029 -9.898 9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.878 -9.018 11.359 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.241 -10.037 13.338 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.341 -12.782 10.264 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.326 -12.358 13.996 1.00 0.00 H new ATOM 956 N GLN A 58 -1.539 -9.477 13.118 1.00 0.00 N ATOM 957 CA GLN A 58 -2.036 -9.578 14.499 1.00 0.00 C ATOM 958 C GLN A 58 -3.227 -10.560 14.583 1.00 0.00 C ATOM 959 O GLN A 58 -3.352 -11.310 15.554 1.00 0.00 O ATOM 960 CB GLN A 58 -2.447 -8.193 15.040 1.00 0.00 C ATOM 961 CG GLN A 58 -1.249 -7.259 15.314 1.00 0.00 C ATOM 962 CD GLN A 58 -0.061 -7.997 15.939 1.00 0.00 C ATOM 963 OE1 GLN A 58 1.046 -8.082 15.226 1.00 0.00 O flip ATOM 964 NE2 GLN A 58 -0.152 -8.546 17.028 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.483 -8.524 12.758 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.225 -9.962 15.118 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.114 -7.715 14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.013 -8.325 15.962 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.933 -6.795 14.380 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.564 -6.455 15.979 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.015 -8.471 17.567 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.635 -9.079 17.398 1.00 0.00 H new ATOM 973 N ARG A 59 -4.100 -10.548 13.561 1.00 0.00 N ATOM 974 CA ARG A 59 -5.259 -11.466 13.517 1.00 0.00 C ATOM 975 C ARG A 59 -4.809 -12.944 13.642 1.00 0.00 C ATOM 976 O ARG A 59 -5.506 -13.754 14.241 1.00 0.00 O ATOM 977 CB ARG A 59 -6.047 -11.268 12.212 1.00 0.00 C ATOM 978 CG ARG A 59 -6.463 -9.798 12.040 1.00 0.00 C ATOM 979 CD ARG A 59 -7.241 -9.543 10.752 1.00 0.00 C ATOM 980 NE ARG A 59 -7.355 -8.095 10.522 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.534 -7.486 9.359 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.824 -8.132 8.253 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.413 -6.181 9.290 1.00 0.00 N ATOM 0 H ARG A 59 -4.030 -9.920 12.760 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.903 -11.232 14.365 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.437 -11.579 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.933 -11.903 12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.073 -9.497 12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.572 -9.171 12.049 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.735 -10.016 9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.233 -9.990 10.820 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.289 -7.496 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.921 -9.147 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.953 -7.618 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.183 -5.645 10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.549 -5.703 8.399 1.00 0.00 H new ATOM 997 N ARG A 60 -3.617 -13.269 13.100 1.00 0.00 N ATOM 998 CA ARG A 60 -3.039 -14.632 13.220 1.00 0.00 C ATOM 999 C ARG A 60 -2.721 -14.977 14.692 1.00 0.00 C ATOM 1000 O ARG A 60 -2.873 -16.120 15.110 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.746 -14.731 12.377 1.00 0.00 C ATOM 1002 CG ARG A 60 -1.034 -16.092 12.411 1.00 0.00 C ATOM 1003 CD ARG A 60 0.304 -15.990 11.662 1.00 0.00 C ATOM 1004 NE ARG A 60 1.018 -17.277 11.644 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.056 -17.613 10.883 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.556 -16.824 9.955 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.625 -18.784 11.048 1.00 0.00 N ATOM 0 H ARG A 60 -3.036 -12.614 12.577 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.777 -15.344 12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.990 -14.494 11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.049 -13.968 12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.863 -16.399 13.443 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.663 -16.855 11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.124 -15.660 10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.929 -15.234 12.136 1.00 0.00 H new ATOM 0 HE ARG A 60 0.679 -17.992 12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.145 -15.905 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.354 -17.132 9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.271 -19.428 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.421 -19.050 10.469 1.00 0.00 H new ATOM 1021 N HIS A 61 -2.278 -13.972 15.466 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.917 -14.178 16.880 1.00 0.00 C ATOM 1023 C HIS A 61 -3.163 -14.142 17.773 1.00 0.00 C ATOM 1024 O HIS A 61 -3.314 -14.960 18.676 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.929 -13.090 17.333 1.00 0.00 C ATOM 1026 CG HIS A 61 0.501 -13.406 16.996 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.237 -14.434 17.543 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.334 -12.674 16.192 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.494 -14.320 17.083 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.591 -13.274 16.255 1.00 0.00 N ATOM 0 H HIS A 61 -2.161 -13.013 15.139 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.450 -15.158 16.973 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.204 -12.143 16.868 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.019 -12.953 18.411 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.891 -15.151 18.181 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.068 -11.799 15.618 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.309 -14.978 17.344 1.00 0.00 H new ATOM 1038 N THR A 62 -4.042 -13.170 17.517 1.00 0.00 N ATOM 1039 CA THR A 62 -5.277 -12.999 18.301 1.00 0.00 C ATOM 1040 C THR A 62 -6.312 -14.086 17.951 1.00 0.00 C ATOM 1041 O THR A 62 -7.192 -14.389 18.752 1.00 0.00 O ATOM 1042 CB THR A 62 -5.905 -11.623 18.035 1.00 0.00 C ATOM 1043 OG1 THR A 62 -6.114 -11.450 16.659 1.00 0.00 O ATOM 1044 CG2 THR A 62 -5.005 -10.464 18.465 1.00 0.00 C ATOM 0 H THR A 62 -3.924 -12.485 16.771 1.00 0.00 H new ATOM 0 HA THR A 62 -5.004 -13.083 19.353 1.00 0.00 H new ATOM 0 HB THR A 62 -6.831 -11.607 18.610 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.261 -11.248 16.221 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.503 -9.518 18.252 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.805 -10.536 19.534 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.064 -10.511 17.916 1.00 0.00 H new ATOM 1052 N GLY A 63 -6.213 -14.639 16.731 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.162 -15.658 16.266 1.00 0.00 C ATOM 1054 C GLY A 63 -8.496 -15.049 15.795 1.00 0.00 C ATOM 1055 O GLY A 63 -9.424 -15.778 15.441 1.00 0.00 O ATOM 0 H GLY A 63 -5.489 -14.398 16.054 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.714 -16.221 15.447 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.354 -16.366 17.072 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.593 -13.709 15.823 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.850 -13.014 15.520 1.00 0.00 C ATOM 1061 C VAL A 64 -10.235 -13.187 14.037 1.00 0.00 C ATOM 1062 O VAL A 64 -9.417 -12.968 13.134 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.725 -11.509 15.867 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -8.909 -10.645 14.901 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -11.114 -10.881 16.035 1.00 0.00 C ATOM 0 H VAL A 64 -7.816 -13.089 16.052 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.638 -13.456 16.129 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.158 -11.512 16.798 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.898 -9.614 15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.888 -11.022 14.850 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.360 -10.683 13.909 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.008 -9.824 16.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.675 -10.985 15.106 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.647 -11.387 16.840 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.494 -13.574 13.801 1.00 0.00 N ATOM 1076 CA LYS A 65 -12.030 -13.742 12.443 1.00 0.00 C ATOM 1077 C LYS A 65 -13.365 -12.985 12.302 1.00 0.00 C ATOM 1078 O LYS A 65 -14.437 -13.571 12.451 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.241 -15.241 12.141 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.938 -16.041 12.021 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.163 -17.558 12.090 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.821 -18.296 12.167 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.199 -18.151 13.500 1.00 0.00 N ATOM 0 H LYS A 65 -12.167 -13.779 14.540 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.315 -13.332 11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.852 -15.678 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.803 -15.339 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.450 -15.793 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.259 -15.742 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.770 -17.802 12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.718 -17.890 11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.973 -19.353 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.146 -17.906 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.197 -17.897 13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.689 -17.404 14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.273 -19.050 14.017 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.303 -11.652 12.084 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.493 -10.802 12.036 1.00 0.00 C ATOM 1099 C PRO A 66 -15.256 -10.917 10.703 1.00 0.00 C ATOM 1100 O PRO A 66 -16.363 -10.393 10.572 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.933 -9.386 12.220 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.536 -9.455 11.602 1.00 0.00 C ATOM 1103 CD PRO A 66 -12.079 -10.875 11.936 1.00 0.00 C ATOM 0 HA PRO A 66 -15.221 -11.087 12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.554 -8.643 11.719 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.890 -9.108 13.273 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.562 -9.283 10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.869 -8.706 12.029 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.449 -11.281 11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.490 -10.892 12.853 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.659 -11.608 9.718 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.288 -11.792 8.412 1.00 0.00 C ATOM 1113 C PHE A 67 -16.007 -13.161 8.342 1.00 0.00 C ATOM 1114 O PHE A 67 -15.507 -14.099 7.739 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.219 -11.695 7.298 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.509 -10.358 7.183 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -14.070 -9.313 6.425 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.262 -10.169 7.809 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.401 -8.080 6.321 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.579 -8.947 7.684 1.00 0.00 C ATOM 1121 CZ PHE A 67 -12.155 -7.898 6.948 1.00 0.00 C ATOM 0 H PHE A 67 -13.742 -12.046 9.807 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.030 -11.007 8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.471 -12.469 7.469 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.695 -11.917 6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.015 -9.458 5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.827 -10.969 8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.845 -7.272 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.615 -8.815 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.641 -6.952 6.864 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.170 -13.265 9.001 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.974 -14.507 8.973 1.00 0.00 C ATOM 1133 C GLN A 68 -18.982 -14.473 7.827 1.00 0.00 C ATOM 1134 O GLN A 68 -19.630 -13.451 7.584 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.722 -14.695 10.315 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.748 -13.640 10.768 1.00 0.00 C ATOM 1137 CD GLN A 68 -19.047 -12.351 11.163 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -18.463 -12.246 12.230 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -19.019 -11.368 10.286 1.00 0.00 N ATOM 0 H GLN A 68 -17.577 -12.513 9.557 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.294 -15.345 8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.239 -15.654 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -17.969 -14.776 11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.456 -13.444 9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.323 -14.022 11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.510 -11.464 9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.507 -10.511 10.496 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.098 -15.600 7.115 1.00 0.00 N ATOM 1149 CA CYS A 69 -20.005 -15.703 5.970 1.00 0.00 C ATOM 1150 C CYS A 69 -21.478 -15.560 6.409 1.00 0.00 C ATOM 1151 O CYS A 69 -21.937 -16.240 7.333 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.810 -17.051 5.266 1.00 0.00 C ATOM 1153 SG CYS A 69 -21.026 -17.172 3.924 1.00 0.00 S ATOM 0 H CYS A 69 -18.574 -16.453 7.313 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.770 -14.891 5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.798 -17.130 4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.941 -17.871 5.972 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.417 -17.091 2.778 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.210 -14.674 5.725 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.654 -14.482 5.974 1.00 0.00 C ATOM 1160 C LYS A 70 -24.469 -15.759 5.630 1.00 0.00 C ATOM 1161 O LYS A 70 -25.670 -15.815 5.888 1.00 0.00 O ATOM 1162 CB LYS A 70 -24.171 -13.295 5.133 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.895 -13.382 3.611 1.00 0.00 C ATOM 1164 CD LYS A 70 -25.141 -13.519 2.722 1.00 0.00 C ATOM 1165 CE LYS A 70 -25.791 -14.900 2.832 1.00 0.00 C ATOM 1166 NZ LYS A 70 -26.863 -15.078 1.835 1.00 0.00 N ATOM 0 H LYS A 70 -21.831 -14.075 4.992 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.788 -14.274 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -25.247 -13.207 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.719 -12.379 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.349 -12.489 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.242 -14.235 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -25.868 -12.756 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.865 -13.333 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -25.033 -15.671 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -26.200 -15.031 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -27.280 -16.025 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -27.598 -14.357 1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -26.468 -14.978 0.878 1.00 0.00 H new ATOM 1180 N THR A 71 -23.813 -16.746 5.000 1.00 0.00 N ATOM 1181 CA THR A 71 -24.493 -17.968 4.526 1.00 0.00 C ATOM 1182 C THR A 71 -24.235 -19.144 5.480 1.00 0.00 C ATOM 1183 O THR A 71 -25.176 -19.724 6.020 1.00 0.00 O ATOM 1184 CB THR A 71 -24.001 -18.365 3.108 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.419 -17.279 2.418 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.148 -18.899 2.252 1.00 0.00 C ATOM 0 H THR A 71 -22.812 -16.724 4.806 1.00 0.00 H new ATOM 0 HA THR A 71 -25.560 -17.749 4.494 1.00 0.00 H new ATOM 0 HB THR A 71 -23.249 -19.139 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.523 -17.106 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.771 -19.168 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.578 -19.780 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.914 -18.131 2.150 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.952 -19.513 5.646 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.571 -20.701 6.436 1.00 0.00 C ATOM 1196 C CYS A 72 -21.742 -20.308 7.684 1.00 0.00 C ATOM 1197 O CYS A 72 -21.328 -21.174 8.459 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.758 -21.652 5.559 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.321 -20.754 4.924 1.00 0.00 S ATOM 0 H CYS A 72 -22.162 -19.008 5.245 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.482 -21.192 6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.438 -22.520 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.368 -22.023 4.735 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.551 -20.376 3.702 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.531 -18.995 7.875 1.00 0.00 N ATOM 1205 CA GLN A 73 -20.783 -18.465 9.034 1.00 0.00 C ATOM 1206 C GLN A 73 -19.297 -18.903 9.008 1.00 0.00 C ATOM 1207 O GLN A 73 -18.572 -18.701 9.985 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.453 -18.914 10.352 1.00 0.00 C ATOM 1209 CG GLN A 73 -21.400 -17.795 11.408 1.00 0.00 C ATOM 1210 CD GLN A 73 -22.445 -16.681 11.242 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -22.743 -16.161 10.063 1.00 0.00 O flip ATOM 1212 NE2 GLN A 73 -23.019 -16.224 12.218 1.00 0.00 N flip ATOM 0 H GLN A 73 -21.870 -18.274 7.238 1.00 0.00 H new ATOM 0 HA GLN A 73 -20.806 -17.377 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.490 -19.190 10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -20.952 -19.803 10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -21.525 -18.243 12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -20.408 -17.345 11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -22.820 -16.595 13.147 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.698 -15.471 12.104 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.834 -19.408 7.846 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.402 -19.669 7.622 1.00 0.00 C ATOM 1223 C ARG A 74 -16.580 -18.428 7.960 1.00 0.00 C ATOM 1224 O ARG A 74 -16.729 -17.386 7.320 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.158 -20.065 6.151 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.163 -21.584 5.891 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.010 -22.347 6.569 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.717 -21.664 6.368 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.982 -21.070 7.302 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.113 -21.316 8.587 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -13.114 -20.156 6.959 1.00 0.00 N ATOM 0 H ARG A 74 -19.431 -19.642 7.052 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.094 -20.489 8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.924 -19.600 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.199 -19.657 5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.110 -21.997 6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.115 -21.757 4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.212 -22.440 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.955 -23.358 6.166 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.351 -21.646 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.806 -21.992 8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.522 -20.831 9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.003 -19.901 5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.548 -19.697 7.673 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.832 -18.497 9.068 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.164 -17.319 9.613 1.00 0.00 C ATOM 1247 C LYS A 75 -13.778 -17.122 8.989 1.00 0.00 C ATOM 1248 O LYS A 75 -12.989 -18.065 8.889 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.032 -17.462 11.143 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.095 -16.612 11.845 1.00 0.00 C ATOM 1251 CD LYS A 75 -15.986 -16.672 13.374 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.076 -15.843 14.066 1.00 0.00 C ATOM 1253 NZ LYS A 75 -16.955 -14.399 13.771 1.00 0.00 N ATOM 0 H LYS A 75 -15.677 -19.354 9.599 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.768 -16.444 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.144 -18.508 11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.037 -17.149 11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.000 -15.576 11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.085 -16.952 11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.058 -17.709 13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.005 -16.308 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.056 -16.196 13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.018 -15.998 15.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.004 -13.858 14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.045 -14.215 13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.732 -14.106 13.144 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.480 -15.871 8.630 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.195 -15.496 8.048 1.00 0.00 C ATOM 1269 C PHE A 76 -11.627 -14.250 8.751 1.00 0.00 C ATOM 1270 O PHE A 76 -12.366 -13.481 9.376 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.376 -15.198 6.538 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.968 -16.320 5.714 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.137 -17.330 5.195 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.354 -16.364 5.472 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.699 -18.396 4.473 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.917 -17.448 4.781 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.090 -18.477 4.302 1.00 0.00 C ATOM 0 H PHE A 76 -14.127 -15.090 8.736 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.497 -16.323 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.013 -14.320 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.404 -14.938 6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.069 -17.286 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.987 -15.560 5.819 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.059 -19.155 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.984 -17.491 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.524 -19.330 3.802 1.00 0.00 H new ATOM 1287 N SER A 77 -10.315 -14.029 8.594 1.00 0.00 N ATOM 1288 CA SER A 77 -9.648 -12.833 9.144 1.00 0.00 C ATOM 1289 C SER A 77 -9.252 -11.851 8.024 1.00 0.00 C ATOM 1290 O SER A 77 -8.615 -10.830 8.284 1.00 0.00 O ATOM 1291 CB SER A 77 -8.388 -13.244 9.924 1.00 0.00 C ATOM 1292 OG SER A 77 -8.645 -14.117 10.999 1.00 0.00 O ATOM 0 H SER A 77 -9.691 -14.661 8.091 1.00 0.00 H new ATOM 0 HA SER A 77 -10.352 -12.336 9.812 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.688 -13.722 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.899 -12.347 10.305 1.00 0.00 H new ATOM 0 HG SER A 77 -8.857 -13.595 11.801 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.601 -12.193 6.768 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.176 -11.410 5.599 1.00 0.00 C ATOM 1300 C ARG A 78 -10.331 -11.244 4.600 1.00 0.00 C ATOM 1301 O ARG A 78 -10.887 -12.228 4.106 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.990 -12.106 4.910 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.676 -11.953 5.696 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.587 -12.960 5.304 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.277 -12.961 3.863 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.077 -13.024 3.295 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.973 -12.783 3.964 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.988 -13.344 2.028 1.00 0.00 N ATOM 0 H ARG A 78 -10.175 -13.005 6.541 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.872 -10.421 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.216 -13.166 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.861 -11.692 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.292 -10.944 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.888 -12.060 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.678 -12.736 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.905 -13.960 5.600 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.074 -12.907 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.019 -12.538 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.069 -12.841 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.833 -13.541 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.074 -13.396 1.578 1.00 0.00 H new ATOM 1322 N SER A 79 -10.692 -9.983 4.328 1.00 0.00 N ATOM 1323 CA SER A 79 -11.808 -9.660 3.418 1.00 0.00 C ATOM 1324 C SER A 79 -11.626 -10.334 2.042 1.00 0.00 C ATOM 1325 O SER A 79 -12.600 -10.717 1.407 1.00 0.00 O ATOM 1326 CB SER A 79 -11.905 -8.143 3.232 1.00 0.00 C ATOM 1327 OG SER A 79 -13.123 -7.800 2.603 1.00 0.00 O ATOM 0 H SER A 79 -10.228 -9.165 4.724 1.00 0.00 H new ATOM 0 HA SER A 79 -12.726 -10.039 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.836 -7.647 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.066 -7.790 2.632 1.00 0.00 H new ATOM 0 HG SER A 79 -13.171 -6.827 2.492 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.370 -10.440 1.578 1.00 0.00 N ATOM 1334 CA ASP A 80 -10.071 -11.052 0.271 1.00 0.00 C ATOM 1335 C ASP A 80 -10.455 -12.569 0.261 1.00 0.00 C ATOM 1336 O ASP A 80 -11.111 -13.046 -0.669 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.571 -10.863 -0.066 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.533 -11.134 1.032 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.541 -12.247 1.598 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.731 -10.209 1.286 1.00 0.00 O ATOM 0 H ASP A 80 -9.548 -10.112 2.085 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.670 -10.555 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.337 -11.511 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.434 -9.836 -0.405 1.00 0.00 H new ATOM 1345 N HIS A 81 -10.065 -13.295 1.320 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.446 -14.715 1.475 1.00 0.00 C ATOM 1347 C HIS A 81 -11.970 -14.863 1.617 1.00 0.00 C ATOM 1348 O HIS A 81 -12.549 -15.809 1.099 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.763 -15.322 2.703 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.278 -15.452 2.633 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.516 -15.776 3.716 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.449 -15.284 1.557 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.247 -15.811 3.307 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.146 -15.471 2.012 1.00 0.00 N ATOM 0 H HIS A 81 -9.490 -12.929 2.079 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.121 -15.245 0.580 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.013 -14.712 3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.186 -16.312 2.876 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.853 -15.958 4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.749 -15.051 0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.410 -16.078 3.935 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.619 -13.906 2.304 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.086 -13.916 2.437 1.00 0.00 C ATOM 1364 C LEU A 82 -14.758 -13.665 1.074 1.00 0.00 C ATOM 1365 O LEU A 82 -15.669 -14.388 0.685 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.545 -12.853 3.450 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.097 -12.837 3.542 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.587 -12.737 4.977 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.737 -11.690 2.747 1.00 0.00 C ATOM 0 H LEU A 82 -12.157 -13.125 2.770 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.385 -14.900 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.117 -13.065 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.181 -11.871 3.148 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.404 -13.788 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.677 -12.729 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.224 -13.593 5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.212 -11.817 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.821 -11.735 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.375 -10.736 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.470 -11.784 1.694 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.279 -12.647 0.345 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.763 -12.355 -1.022 1.00 0.00 C ATOM 1383 C LYS A 83 -14.524 -13.559 -1.948 1.00 0.00 C ATOM 1384 O LYS A 83 -15.313 -13.826 -2.851 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.039 -11.113 -1.575 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.577 -10.608 -2.921 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.875 -9.297 -3.311 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.417 -8.701 -4.614 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.105 -9.554 -5.779 1.00 0.00 N ATOM 0 H LYS A 83 -13.556 -12.008 0.675 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.834 -12.159 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.114 -10.309 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.980 -11.345 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.414 -11.361 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.653 -10.448 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.996 -8.572 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.806 -9.480 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.497 -8.575 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.991 -7.709 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.503 -9.126 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.073 -9.640 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.519 -10.498 -5.639 1.00 0.00 H new ATOM 1403 N THR A 84 -13.423 -14.272 -1.711 1.00 0.00 N ATOM 1404 CA THR A 84 -13.094 -15.481 -2.469 1.00 0.00 C ATOM 1405 C THR A 84 -14.054 -16.631 -2.111 1.00 0.00 C ATOM 1406 O THR A 84 -14.727 -17.182 -2.984 1.00 0.00 O ATOM 1407 CB THR A 84 -11.657 -15.920 -2.140 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.760 -14.913 -2.548 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.199 -17.267 -2.672 1.00 0.00 C ATOM 0 H THR A 84 -12.738 -14.031 -0.994 1.00 0.00 H new ATOM 0 HA THR A 84 -13.189 -15.254 -3.531 1.00 0.00 H new ATOM 0 HB THR A 84 -11.662 -16.063 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.851 -14.136 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.169 -17.448 -2.366 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.840 -18.053 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.259 -17.268 -3.760 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.227 -16.871 -0.804 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.144 -17.903 -0.307 1.00 0.00 C ATOM 1419 C HIS A 85 -16.591 -17.576 -0.689 1.00 0.00 C ATOM 1420 O HIS A 85 -17.377 -18.468 -0.985 1.00 0.00 O ATOM 1421 CB HIS A 85 -15.021 -18.010 1.218 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.212 -18.647 1.877 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.540 -19.987 1.893 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.258 -17.947 2.409 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.788 -20.083 2.389 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.251 -18.870 2.705 1.00 0.00 N ATOM 0 H HIS A 85 -13.740 -16.360 -0.068 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.875 -18.855 -0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.130 -18.588 1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.878 -17.012 1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.303 -16.880 2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.335 -21.006 2.513 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.170 -18.660 3.094 1.00 0.00 H new ATOM 1434 N THR A 86 -16.888 -16.283 -0.788 1.00 0.00 N ATOM 1435 CA THR A 86 -18.204 -15.801 -1.208 1.00 0.00 C ATOM 1436 C THR A 86 -18.606 -16.422 -2.555 1.00 0.00 C ATOM 1437 O THR A 86 -19.769 -16.800 -2.751 1.00 0.00 O ATOM 1438 CB THR A 86 -18.202 -14.263 -1.332 1.00 0.00 C ATOM 1439 OG1 THR A 86 -18.035 -13.710 -0.048 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.419 -13.575 -1.924 1.00 0.00 C ATOM 0 H THR A 86 -16.223 -15.538 -0.579 1.00 0.00 H new ATOM 0 HA THR A 86 -18.928 -16.099 -0.449 1.00 0.00 H new ATOM 0 HB THR A 86 -17.395 -14.085 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.079 -13.651 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.256 -12.497 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.580 -13.932 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.296 -13.801 -1.317 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.635 -16.530 -3.489 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.906 -17.071 -4.837 1.00 0.00 C ATOM 1450 C ARG A 87 -18.388 -18.538 -4.762 1.00 0.00 C ATOM 1451 O ARG A 87 -19.108 -18.999 -5.642 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.638 -16.994 -5.700 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.957 -15.619 -5.829 1.00 0.00 C ATOM 1454 CD ARG A 87 -16.948 -14.465 -6.008 1.00 0.00 C ATOM 1455 NE ARG A 87 -16.432 -13.425 -6.912 1.00 0.00 N ATOM 1456 CZ ARG A 87 -16.488 -12.111 -6.743 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -16.804 -11.552 -5.594 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -16.236 -11.316 -7.756 1.00 0.00 N ATOM 0 H ARG A 87 -16.666 -16.252 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.695 -16.469 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.909 -17.695 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.890 -17.342 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -15.354 -15.436 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.275 -15.638 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -17.888 -14.853 -6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -17.168 -14.023 -5.036 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.980 -13.752 -7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.019 -12.135 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -16.834 -10.536 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.999 -11.710 -8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.277 -10.304 -7.633 1.00 0.00 H new ATOM 1472 N THR A 88 -18.045 -19.228 -3.664 1.00 0.00 N ATOM 1473 CA THR A 88 -18.537 -20.605 -3.415 1.00 0.00 C ATOM 1474 C THR A 88 -20.069 -20.651 -3.477 1.00 0.00 C ATOM 1475 O THR A 88 -20.644 -21.577 -4.042 1.00 0.00 O ATOM 1476 CB THR A 88 -18.092 -21.119 -2.030 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.748 -20.809 -1.767 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.273 -22.628 -1.897 1.00 0.00 C ATOM 0 H THR A 88 -17.433 -18.864 -2.934 1.00 0.00 H new ATOM 0 HA THR A 88 -18.111 -21.241 -4.191 1.00 0.00 H new ATOM 0 HB THR A 88 -18.731 -20.613 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.702 -20.060 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.948 -22.948 -0.907 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.324 -22.882 -2.033 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.677 -23.134 -2.656 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.723 -19.630 -2.900 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.188 -19.520 -2.936 1.00 0.00 C ATOM 1488 C HIS A 89 -22.650 -18.628 -4.108 1.00 0.00 C ATOM 1489 O HIS A 89 -23.785 -18.729 -4.564 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.697 -18.927 -1.613 1.00 0.00 C ATOM 1491 CG HIS A 89 -22.169 -19.593 -0.365 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.342 -20.913 -0.003 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.473 -18.974 0.639 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.768 -21.076 1.204 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.232 -19.925 1.628 1.00 0.00 N ATOM 0 H HIS A 89 -20.259 -18.869 -2.403 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.600 -20.519 -3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.432 -17.870 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.785 -18.983 -1.603 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -22.817 -21.632 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -21.167 -17.938 0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.743 -22.006 1.753 1.00 0.00 H new ATOM 1503 N THR A 90 -21.774 -17.705 -4.527 1.00 0.00 N ATOM 1504 CA THR A 90 -22.177 -16.641 -5.469 1.00 0.00 C ATOM 1505 C THR A 90 -21.945 -17.044 -6.942 1.00 0.00 C ATOM 1506 O THR A 90 -22.419 -16.362 -7.847 1.00 0.00 O ATOM 1507 CB THR A 90 -21.386 -15.349 -5.183 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.477 -15.073 -3.805 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.869 -14.089 -5.890 1.00 0.00 C ATOM 0 H THR A 90 -20.797 -17.669 -4.237 1.00 0.00 H new ATOM 0 HA THR A 90 -23.244 -16.478 -5.320 1.00 0.00 H new ATOM 0 HB THR A 90 -20.382 -15.557 -5.552 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.808 -15.600 -3.321 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.234 -13.248 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.821 -14.236 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.898 -13.880 -5.598 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.310 -18.206 -7.177 1.00 0.00 N ATOM 1518 CA GLY A 91 -21.216 -18.770 -8.545 1.00 0.00 C ATOM 1519 C GLY A 91 -20.220 -18.006 -9.456 1.00 0.00 C ATOM 1520 O GLY A 91 -19.838 -18.505 -10.514 1.00 0.00 O ATOM 0 H GLY A 91 -20.860 -18.768 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.911 -19.814 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -22.204 -18.755 -9.005 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.854 -16.782 -9.061 1.00 0.00 N ATOM 1525 CA GLU A 92 -19.004 -15.918 -9.887 1.00 0.00 C ATOM 1526 C GLU A 92 -17.551 -16.451 -9.928 1.00 0.00 C ATOM 1527 O GLU A 92 -16.745 -16.164 -9.041 1.00 0.00 O ATOM 1528 CB GLU A 92 -19.030 -14.477 -9.328 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.670 -13.381 -10.341 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.216 -13.441 -10.806 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -16.353 -12.884 -10.087 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.992 -14.059 -11.870 1.00 0.00 O ATOM 0 H GLU A 92 -20.134 -16.367 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.392 -15.917 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -20.026 -14.274 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -18.337 -14.417 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.325 -13.468 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.861 -12.406 -9.894 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.237 -17.225 -10.982 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.890 -17.788 -11.184 1.00 0.00 C ATOM 1541 C LYS A 93 -15.259 -17.212 -12.477 1.00 0.00 C ATOM 1542 O LYS A 93 -15.526 -17.704 -13.575 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.979 -19.325 -11.284 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.537 -19.972 -10.007 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.192 -21.463 -9.898 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.925 -22.292 -10.956 1.00 0.00 C ATOM 1547 NZ LYS A 93 -16.421 -23.679 -10.982 1.00 0.00 N ATOM 0 H LYS A 93 -17.903 -17.476 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.261 -17.518 -10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.613 -19.594 -12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.988 -19.730 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.142 -19.448 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.620 -19.852 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.116 -21.597 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.455 -21.826 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.994 -22.294 -10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.794 -21.835 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.077 -24.277 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.483 -23.699 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.348 -24.040 -10.009 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.482 -16.109 -12.359 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.013 -15.349 -13.519 1.00 0.00 C ATOM 1563 C PRO A 94 -12.752 -15.946 -14.177 1.00 0.00 C ATOM 1564 O PRO A 94 -12.465 -15.663 -15.339 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.711 -13.959 -12.942 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.299 -14.229 -11.497 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.138 -15.445 -11.106 1.00 0.00 C ATOM 0 HA PRO A 94 -14.758 -15.348 -14.315 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.914 -13.463 -13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.585 -13.310 -12.991 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.232 -14.435 -11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.508 -13.374 -10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.578 -16.112 -10.451 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.034 -15.144 -10.564 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.992 -16.759 -13.426 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.725 -17.319 -13.938 1.00 0.00 C ATOM 1577 C PHE A 95 -10.983 -18.575 -14.779 1.00 0.00 C ATOM 1578 O PHE A 95 -10.826 -19.695 -14.301 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.786 -17.653 -12.776 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.469 -16.461 -11.920 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.506 -15.521 -12.335 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.183 -16.270 -10.731 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.251 -14.386 -11.547 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -9.918 -15.138 -9.940 1.00 0.00 C ATOM 1585 CZ PHE A 95 -8.965 -14.192 -10.353 1.00 0.00 C ATOM 0 H PHE A 95 -12.226 -17.042 -12.474 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.254 -16.569 -14.573 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.242 -18.427 -12.158 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.859 -18.066 -13.172 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.965 -15.672 -13.257 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.931 -16.986 -10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.509 -13.666 -11.858 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.450 -14.995 -9.011 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.781 -13.314 -9.751 1.00 0.00 H new ATOM 1595 N SER A 96 -11.402 -18.376 -16.032 1.00 0.00 N ATOM 1596 CA SER A 96 -11.725 -19.494 -16.924 1.00 0.00 C ATOM 1597 C SER A 96 -10.486 -19.964 -17.694 1.00 0.00 C ATOM 1598 O SER A 96 -9.639 -19.158 -18.084 1.00 0.00 O ATOM 1599 CB SER A 96 -12.815 -19.079 -17.911 1.00 0.00 C ATOM 1600 OG SER A 96 -13.336 -20.229 -18.552 1.00 0.00 O ATOM 0 H SER A 96 -11.525 -17.454 -16.451 1.00 0.00 H new ATOM 0 HA SER A 96 -12.083 -20.321 -16.310 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.611 -18.549 -17.388 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.407 -18.391 -18.651 1.00 0.00 H new ATOM 0 HG SER A 96 -13.489 -20.933 -17.888 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.404 -21.284 -17.924 1.00 0.00 N ATOM 1607 CA CYS A 97 -9.269 -21.881 -18.639 1.00 0.00 C ATOM 1608 C CYS A 97 -9.294 -21.508 -20.129 1.00 0.00 C ATOM 1609 O CYS A 97 -10.358 -21.239 -20.708 1.00 0.00 O ATOM 1610 CB CYS A 97 -9.291 -23.410 -18.486 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.768 -24.144 -19.111 1.00 0.00 S ATOM 0 H CYS A 97 -11.110 -21.956 -17.625 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.352 -21.487 -18.201 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.421 -23.672 -17.436 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.145 -23.821 -19.025 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.813 -23.263 -19.071 1.00 0.00 H new ATOM 1616 N ARG A 98 -8.105 -21.489 -20.738 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.938 -21.074 -22.134 1.00 0.00 C ATOM 1618 C ARG A 98 -7.308 -22.197 -22.973 1.00 0.00 C ATOM 1619 O ARG A 98 -6.889 -21.968 -24.106 1.00 0.00 O ATOM 1620 CB ARG A 98 -7.052 -19.816 -22.196 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.545 -18.617 -21.359 1.00 0.00 C ATOM 1622 CD ARG A 98 -9.019 -18.221 -21.547 1.00 0.00 C ATOM 1623 NE ARG A 98 -9.408 -18.100 -22.966 1.00 0.00 N ATOM 1624 CZ ARG A 98 -10.388 -18.747 -23.596 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -11.142 -19.663 -23.025 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -10.632 -18.477 -24.857 1.00 0.00 N ATOM 0 H ARG A 98 -7.235 -21.759 -20.280 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.922 -20.852 -22.547 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.049 -20.082 -21.863 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.969 -19.502 -23.236 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.383 -18.844 -20.305 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.925 -17.753 -21.598 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.653 -18.964 -21.064 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.201 -17.271 -21.044 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.864 -17.446 -23.529 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.990 -19.911 -22.047 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.878 -20.124 -23.560 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.074 -17.777 -25.346 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.380 -18.967 -25.348 1.00 0.00 H new ATOM 1640 N TRP A 99 -7.244 -23.408 -22.406 1.00 0.00 N ATOM 1641 CA TRP A 99 -6.677 -24.562 -23.105 1.00 0.00 C ATOM 1642 C TRP A 99 -7.552 -24.945 -24.333 1.00 0.00 C ATOM 1643 O TRP A 99 -8.717 -24.545 -24.425 1.00 0.00 O ATOM 1644 CB TRP A 99 -6.563 -25.750 -22.137 1.00 0.00 C ATOM 1645 CG TRP A 99 -5.254 -25.716 -21.395 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.869 -24.728 -20.556 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -4.111 -26.627 -21.476 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -3.586 -24.962 -20.104 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -3.062 -26.108 -20.658 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -3.843 -27.831 -22.167 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.811 -26.735 -20.543 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -2.597 -28.477 -22.050 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -1.579 -27.929 -21.246 1.00 0.00 C ATOM 0 H TRP A 99 -7.579 -23.612 -21.464 1.00 0.00 H new ATOM 0 HA TRP A 99 -5.683 -24.300 -23.466 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -7.389 -25.725 -21.426 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -6.647 -26.685 -22.691 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -5.477 -23.879 -20.280 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -3.090 -24.363 -19.444 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -4.607 -28.263 -22.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.038 -26.306 -19.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.421 -29.401 -22.581 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.623 -28.425 -21.170 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.965 -25.683 -25.314 1.00 0.00 N ATOM 1665 CA PRO A 100 -7.614 -25.964 -26.609 1.00 0.00 C ATOM 1666 C PRO A 100 -9.032 -26.550 -26.472 1.00 0.00 C ATOM 1667 O PRO A 100 -9.895 -26.296 -27.309 1.00 0.00 O ATOM 1668 CB PRO A 100 -6.673 -26.979 -27.271 1.00 0.00 C ATOM 1669 CG PRO A 100 -5.296 -26.598 -26.728 1.00 0.00 C ATOM 1670 CD PRO A 100 -5.589 -26.169 -25.292 1.00 0.00 C ATOM 0 HA PRO A 100 -7.757 -25.049 -27.184 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.939 -28.003 -27.008 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.709 -26.909 -28.358 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.603 -27.439 -26.763 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.846 -25.790 -27.305 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.477 -27.004 -24.600 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.901 -25.390 -24.965 1.00 0.00 H new ATOM 1678 N SER A 101 -9.253 -27.353 -25.424 1.00 0.00 N ATOM 1679 CA SER A 101 -10.561 -27.969 -25.177 1.00 0.00 C ATOM 1680 C SER A 101 -10.784 -28.174 -23.673 1.00 0.00 C ATOM 1681 O SER A 101 -10.459 -29.235 -23.125 1.00 0.00 O ATOM 1682 CB SER A 101 -10.653 -29.320 -25.912 1.00 0.00 C ATOM 1683 OG SER A 101 -9.718 -30.246 -25.397 1.00 0.00 O ATOM 0 H SER A 101 -8.541 -27.591 -24.733 1.00 0.00 H new ATOM 0 HA SER A 101 -11.336 -27.302 -25.555 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.661 -29.723 -25.813 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.473 -29.171 -26.977 1.00 0.00 H new ATOM 0 HG SER A 101 -9.802 -30.288 -24.421 1.00 0.00 H new ATOM 1689 N CYS A 102 -11.315 -27.141 -23.010 1.00 0.00 N ATOM 1690 CA CYS A 102 -11.585 -27.192 -21.575 1.00 0.00 C ATOM 1691 C CYS A 102 -12.595 -26.104 -21.178 1.00 0.00 C ATOM 1692 O CYS A 102 -13.778 -26.387 -20.975 1.00 0.00 O ATOM 1693 CB CYS A 102 -10.277 -26.999 -20.794 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.675 -26.675 -19.062 1.00 0.00 S ATOM 0 H CYS A 102 -11.566 -26.256 -23.450 1.00 0.00 H new ATOM 0 HA CYS A 102 -12.010 -28.166 -21.334 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.653 -27.889 -20.878 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.707 -26.169 -21.212 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.587 -26.719 -18.351 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.107 -24.855 -21.081 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.941 -23.700 -20.735 1.00 0.00 C ATOM 1701 C GLN A 103 -13.657 -23.910 -19.370 1.00 0.00 C ATOM 1702 O GLN A 103 -14.778 -23.435 -19.167 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.977 -23.438 -21.861 1.00 0.00 C ATOM 1704 CG GLN A 103 -13.331 -22.848 -23.133 1.00 0.00 C ATOM 1705 CD GLN A 103 -12.143 -23.638 -23.693 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -12.283 -24.709 -24.266 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -10.928 -23.152 -23.498 1.00 0.00 N ATOM 0 H GLN A 103 -11.127 -24.623 -21.240 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.295 -22.828 -20.638 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.480 -24.372 -22.112 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.742 -22.753 -21.495 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.095 -22.775 -23.907 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.000 -21.833 -22.915 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.807 -22.259 -23.020 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.113 -23.670 -23.825 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.948 -24.541 -18.409 1.00 0.00 N ATOM 1717 CA LYS A 104 -13.420 -24.602 -17.013 1.00 0.00 C ATOM 1718 C LYS A 104 -13.408 -23.200 -16.404 1.00 0.00 C ATOM 1719 O LYS A 104 -12.889 -22.261 -17.010 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.510 -25.542 -16.177 1.00 0.00 C ATOM 1721 CG LYS A 104 -13.150 -26.888 -15.786 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.932 -28.030 -16.787 1.00 0.00 C ATOM 1723 CE LYS A 104 -13.659 -27.809 -18.114 1.00 0.00 C ATOM 1724 NZ LYS A 104 -13.272 -28.830 -19.101 1.00 0.00 N ATOM 0 H LYS A 104 -12.057 -25.010 -18.574 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.437 -24.995 -17.002 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.600 -25.740 -16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.212 -25.020 -15.267 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.752 -27.194 -14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.222 -26.739 -15.657 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.864 -28.139 -16.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.274 -28.965 -16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.737 -27.843 -17.953 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.426 -26.817 -18.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.851 -28.722 -19.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.268 -28.714 -19.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.423 -29.777 -18.698 1.00 0.00 H new ATOM 1738 N LYS A 105 -14.005 -23.051 -15.214 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.996 -21.767 -14.497 1.00 0.00 C ATOM 1740 C LYS A 105 -13.518 -21.946 -13.047 1.00 0.00 C ATOM 1741 O LYS A 105 -13.926 -22.886 -12.365 1.00 0.00 O ATOM 1742 CB LYS A 105 -15.405 -21.147 -14.505 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.909 -20.664 -15.878 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.700 -21.723 -16.666 1.00 0.00 C ATOM 1745 CE LYS A 105 -17.262 -21.149 -17.972 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.208 -20.944 -18.985 1.00 0.00 N ATOM 0 H LYS A 105 -14.499 -23.800 -14.728 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.302 -21.100 -15.009 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.109 -21.883 -14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.415 -20.302 -13.816 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.541 -19.788 -15.733 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.054 -20.346 -16.475 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.052 -22.571 -16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -17.518 -22.100 -16.051 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -18.019 -21.825 -18.369 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.757 -20.200 -17.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.608 -20.447 -19.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.439 -20.375 -18.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.833 -21.866 -19.287 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.721 -20.982 -12.563 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.269 -20.957 -11.164 1.00 0.00 C ATOM 1762 C PHE A 106 -12.531 -19.593 -10.539 1.00 0.00 C ATOM 1763 O PHE A 106 -12.631 -18.586 -11.240 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.771 -21.283 -11.088 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.487 -22.676 -11.604 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.762 -23.797 -10.797 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -10.084 -22.853 -12.937 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.658 -25.090 -11.336 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.992 -24.143 -13.484 1.00 0.00 C ATOM 1770 CZ PHE A 106 -10.294 -25.260 -12.683 1.00 0.00 C ATOM 0 H PHE A 106 -12.374 -20.204 -13.124 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.830 -21.709 -10.609 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.208 -20.555 -11.671 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.430 -21.198 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.052 -23.663 -9.765 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.844 -21.993 -13.545 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.857 -25.952 -10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.691 -24.277 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 106 -10.246 -26.253 -13.105 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.663 -19.570 -9.215 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.924 -18.332 -8.489 1.00 0.00 C ATOM 1782 C ALA A 107 -11.616 -17.684 -8.011 1.00 0.00 C ATOM 1783 O ALA A 107 -11.631 -16.586 -7.457 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.827 -18.622 -7.285 1.00 0.00 C ATOM 0 H ALA A 107 -12.593 -20.397 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.422 -17.637 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.021 -17.696 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.770 -19.044 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.333 -19.333 -6.622 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.485 -18.371 -8.240 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.177 -17.865 -7.835 1.00 0.00 C ATOM 1792 C ARG A 108 -8.164 -18.001 -8.972 1.00 0.00 C ATOM 1793 O ARG A 108 -8.102 -19.035 -9.656 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.679 -18.630 -6.608 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.569 -18.526 -5.364 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.379 -19.706 -4.407 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.964 -19.943 -4.080 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.505 -20.514 -2.977 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.308 -20.791 -1.982 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.238 -20.819 -2.906 1.00 0.00 N ATOM 0 H ARG A 108 -10.457 -19.279 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.281 -16.808 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.576 -19.682 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.683 -18.267 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.347 -17.597 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.614 -18.476 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.934 -19.518 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.801 -20.605 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.273 -19.639 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.301 -20.567 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.941 -21.231 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.620 -20.617 -3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.866 -21.259 -2.065 1.00 0.00 H new ATOM 1814 N SER A 109 -7.335 -16.970 -9.131 1.00 0.00 N ATOM 1815 CA SER A 109 -6.280 -16.966 -10.137 1.00 0.00 C ATOM 1816 C SER A 109 -5.345 -18.163 -9.943 1.00 0.00 C ATOM 1817 O SER A 109 -5.033 -18.871 -10.893 1.00 0.00 O ATOM 1818 CB SER A 109 -5.475 -15.657 -10.044 1.00 0.00 C ATOM 1819 OG SER A 109 -5.148 -15.349 -8.699 1.00 0.00 O ATOM 0 H SER A 109 -7.377 -16.120 -8.569 1.00 0.00 H new ATOM 0 HA SER A 109 -6.740 -17.040 -11.122 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.561 -15.747 -10.631 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.053 -14.840 -10.476 1.00 0.00 H new ATOM 0 HG SER A 109 -4.636 -14.514 -8.670 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.932 -18.403 -8.695 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.014 -19.499 -8.376 1.00 0.00 C ATOM 1827 C ASP A 110 -4.676 -20.886 -8.626 1.00 0.00 C ATOM 1828 O ASP A 110 -4.003 -21.825 -9.028 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.540 -19.393 -6.925 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.549 -19.776 -5.842 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.726 -19.383 -5.955 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.121 -20.422 -4.859 1.00 0.00 O ATOM 0 H ASP A 110 -5.220 -17.851 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.152 -19.414 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.659 -20.025 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.222 -18.366 -6.745 1.00 0.00 H new ATOM 1837 N GLU A 111 -6.003 -20.993 -8.396 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.742 -22.232 -8.727 1.00 0.00 C ATOM 1839 C GLU A 111 -6.649 -22.518 -10.224 1.00 0.00 C ATOM 1840 O GLU A 111 -6.364 -23.647 -10.627 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.227 -22.119 -8.316 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.478 -22.606 -6.876 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.972 -22.749 -6.525 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.797 -22.082 -7.199 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.269 -23.483 -5.557 1.00 0.00 O ATOM 0 H GLU A 111 -6.576 -20.253 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.287 -23.052 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.548 -21.081 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.837 -22.703 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.987 -23.569 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.015 -21.908 -6.179 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.816 -21.471 -11.051 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.623 -21.601 -12.500 1.00 0.00 C ATOM 1854 C LEU A 112 -5.151 -21.976 -12.826 1.00 0.00 C ATOM 1855 O LEU A 112 -4.899 -22.877 -13.625 1.00 0.00 O ATOM 1856 CB LEU A 112 -7.005 -20.291 -13.207 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.813 -20.360 -14.733 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.710 -21.417 -15.376 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.114 -19.011 -15.387 1.00 0.00 C ATOM 0 H LEU A 112 -7.081 -20.536 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.271 -22.399 -12.862 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.046 -20.054 -12.986 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.401 -19.477 -12.806 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.770 -20.630 -14.897 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.542 -21.431 -16.453 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.475 -22.396 -14.959 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.755 -21.179 -15.175 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.970 -19.089 -16.465 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.146 -18.727 -15.178 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.441 -18.254 -14.985 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.192 -21.294 -12.173 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.750 -21.592 -12.369 1.00 0.00 C ATOM 1873 C VAL A 113 -2.452 -23.061 -12.028 1.00 0.00 C ATOM 1874 O VAL A 113 -1.736 -23.745 -12.761 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.884 -20.670 -11.469 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.391 -21.037 -11.509 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.970 -19.180 -11.819 1.00 0.00 C ATOM 0 H VAL A 113 -4.380 -20.541 -11.512 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.504 -21.411 -13.416 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.308 -20.836 -10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.167 -20.360 -10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.259 -22.062 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.022 -20.949 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.335 -18.610 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.635 -19.027 -12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.002 -18.842 -11.720 1.00 0.00 H new ATOM 1887 N ARG A 114 -3.061 -23.550 -10.941 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.923 -24.955 -10.549 1.00 0.00 C ATOM 1889 C ARG A 114 -3.570 -25.870 -11.590 1.00 0.00 C ATOM 1890 O ARG A 114 -2.941 -26.809 -12.066 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.572 -25.186 -9.174 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.472 -26.670 -8.773 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.950 -26.924 -7.347 1.00 0.00 C ATOM 1894 NE ARG A 114 -3.033 -26.337 -6.361 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.100 -26.513 -5.049 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.006 -27.292 -4.506 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.265 -25.889 -4.255 1.00 0.00 N ATOM 0 H ARG A 114 -3.651 -22.995 -10.321 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.861 -25.193 -10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.080 -24.567 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.618 -24.881 -9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.065 -27.270 -9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.438 -27.000 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.946 -26.502 -7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.033 -27.997 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.282 -25.745 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.680 -27.779 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.036 -27.410 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.560 -25.265 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.321 -26.028 -3.246 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.798 -25.527 -12.011 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.520 -26.310 -13.019 1.00 0.00 C ATOM 1913 C HIS A 115 -4.677 -26.476 -14.283 1.00 0.00 C ATOM 1914 O HIS A 115 -4.461 -27.592 -14.747 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.847 -25.623 -13.366 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.552 -26.261 -14.537 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -8.298 -27.420 -14.498 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.561 -25.800 -15.829 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.774 -27.629 -15.738 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -8.355 -26.662 -16.559 1.00 0.00 N ATOM 0 H HIS A 115 -5.309 -24.713 -11.668 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.722 -27.298 -12.605 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.502 -25.650 -12.496 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.659 -24.573 -13.590 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -8.459 -28.009 -13.681 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.045 -24.928 -16.204 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.403 -28.458 -16.028 1.00 0.00 H new ATOM 1928 N HIS A 116 -4.135 -25.361 -14.790 1.00 0.00 N ATOM 1929 CA HIS A 116 -3.244 -25.393 -15.947 1.00 0.00 C ATOM 1930 C HIS A 116 -2.025 -26.317 -15.683 1.00 0.00 C ATOM 1931 O HIS A 116 -1.628 -27.092 -16.553 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.755 -23.973 -16.272 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.774 -23.010 -16.851 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.618 -21.649 -16.869 1.00 0.00 N flip ATOM 1935 CD2 HIS A 116 -4.930 -23.295 -17.557 1.00 0.00 C flip ATOM 1936 CE1 HIS A 116 -4.674 -21.098 -17.596 1.00 0.00 C flip ATOM 1937 NE2 HIS A 116 -5.440 -22.126 -17.987 1.00 0.00 N flip ATOM 0 H HIS A 116 -4.301 -24.427 -14.414 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.802 -25.789 -16.795 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.356 -23.534 -15.357 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.926 -24.053 -16.975 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -2.860 -21.128 -16.427 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.347 -24.276 -17.731 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.841 -20.051 -17.803 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.492 -26.279 -14.446 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.321 -27.093 -14.079 1.00 0.00 C ATOM 1947 C ASN A 117 -0.680 -28.599 -14.035 1.00 0.00 C ATOM 1948 O ASN A 117 0.206 -29.454 -14.069 1.00 0.00 O ATOM 1949 CB ASN A 117 0.216 -26.641 -12.701 1.00 0.00 C ATOM 1950 CG ASN A 117 1.696 -26.929 -12.459 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.420 -26.100 -11.937 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.198 -28.095 -12.809 1.00 0.00 N ATOM 0 H ASN A 117 -1.852 -25.697 -13.690 1.00 0.00 H new ATOM 0 HA ASN A 117 0.448 -26.949 -14.838 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.048 -25.569 -12.596 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.366 -27.133 -11.922 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.184 -28.297 -12.642 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.601 -28.797 -13.247 1.00 0.00 H new ATOM 1959 N MET A 118 -1.983 -28.902 -13.974 1.00 0.00 N ATOM 1960 CA MET A 118 -2.467 -30.285 -13.948 1.00 0.00 C ATOM 1961 C MET A 118 -3.189 -30.643 -15.267 1.00 0.00 C ATOM 1962 O MET A 118 -3.796 -31.707 -15.378 1.00 0.00 O ATOM 1963 CB MET A 118 -3.431 -30.474 -12.761 1.00 0.00 C ATOM 1964 CG MET A 118 -2.737 -30.277 -11.407 1.00 0.00 C ATOM 1965 SD MET A 118 -3.842 -30.438 -9.976 1.00 0.00 S ATOM 1966 CE MET A 118 -2.616 -30.353 -8.646 1.00 0.00 C ATOM 0 H MET A 118 -2.724 -28.202 -13.942 1.00 0.00 H new ATOM 0 HA MET A 118 -1.609 -30.948 -13.835 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.256 -29.767 -12.850 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.863 -31.474 -12.803 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.932 -31.006 -11.314 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.277 -29.289 -11.387 1.00 0.00 H new ATOM 0 HE1 MET A 118 -3.118 -30.436 -7.682 1.00 0.00 H new ATOM 0 HE2 MET A 118 -1.903 -31.170 -8.755 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.087 -29.401 -8.699 1.00 0.00 H new ATOM 1976 N HIS A 119 -3.144 -29.728 -16.250 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.906 -29.888 -17.485 1.00 0.00 C ATOM 1978 C HIS A 119 -3.295 -30.981 -18.370 1.00 0.00 C ATOM 1979 O HIS A 119 -3.842 -31.319 -19.423 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.944 -28.564 -18.248 1.00 0.00 C ATOM 1981 CG HIS A 119 -5.258 -28.384 -18.941 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.829 -29.278 -19.815 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -6.185 -27.427 -18.646 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -7.091 -28.864 -20.026 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -7.347 -27.757 -19.334 1.00 0.00 N ATOM 0 H HIS A 119 -2.587 -28.874 -16.207 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.921 -30.186 -17.224 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.776 -27.737 -17.558 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.136 -28.538 -18.979 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -5.382 -30.098 -20.225 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.043 -26.574 -18.000 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.800 -29.363 -20.670 1.00 0.00 H new