USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 617 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 69 ASN : amide:sc= 0.0623 X(o=0.13,f=0.084) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.0663 X(o=0.13,f=0.084) USER MOD Set 2.1: A 50 SER OG : rot -54:sc= 1.26 USER MOD Set 2.2: A 54 TYR OH : rot 57:sc= 1.1 USER MOD Set 3.1: A 10 TYR OH : rot 110:sc= 1.92 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -3.2! C(o=-1.3!,f=-6!) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 2.44 (180deg=2.28) USER MOD Single : A 5 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.099) USER MOD Single : A 6 SER OG : rot 82:sc= 1.16 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 155:sc= 0.518 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -88:sc= 1.25 USER MOD Single : A 23 CYS SG : rot 72:sc= 0.0934 USER MOD Single : A 24 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.38) USER MOD Single : A 27 THR OG1 : rot -41:sc= 0.72 USER MOD Single : A 28 SER OG : rot -154:sc= 1.19 USER MOD Single : A 29 SER OG : rot -73:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 135:sc= -0.307 (180deg=-2.54!) USER MOD Single : A 38 THR OG1 : rot -28:sc= 1.28 USER MOD Single : A 43 MET CE :methyl 179:sc= -0.326 (180deg=-0.326) USER MOD Single : A 44 THR OG1 : rot -8:sc= 0.861 USER MOD Single : A 46 HIS : no HE2:sc= -4.66! C(o=-4.7!,f=-8.3!) USER MOD Single : A 48 SER OG : rot -98:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= -0.132! (180deg=-1.12!) USER MOD Single : A 63 SER OG : rot 98:sc= 1.25 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.4 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -2.5! (180deg=-2.59!) USER MOD Single : A 78 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= -4.53! (180deg=-6.75!) USER MOD Single : A 81 SER OG : rot 63:sc= 0.241 USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= -0.359! (180deg=-0.636!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -2.323 1.949 10.722 1.00 0.00 N ATOM 36 CA LEU A 3 -1.352 2.845 10.166 1.00 0.00 C ATOM 37 C LEU A 3 -0.168 2.640 11.067 1.00 0.00 C ATOM 38 O LEU A 3 -0.310 2.264 12.235 1.00 0.00 O ATOM 39 CB LEU A 3 -1.730 4.312 10.304 1.00 0.00 C ATOM 40 CG LEU A 3 -2.354 4.807 9.013 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.712 6.281 9.191 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.406 4.759 7.806 1.00 0.00 C ATOM 0 HA LEU A 3 -1.216 2.645 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.430 4.440 11.129 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.846 4.904 10.541 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.206 4.155 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.163 6.659 8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.419 6.387 10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.809 6.850 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.924 5.128 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.534 5.383 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.085 3.731 7.636 1.00 0.00 H new ATOM 54 N LYS A 4 1.000 2.914 10.532 1.00 0.00 N ATOM 55 CA LYS A 4 2.240 2.566 11.158 1.00 0.00 C ATOM 56 C LYS A 4 3.218 3.691 10.929 1.00 0.00 C ATOM 57 O LYS A 4 2.897 4.629 10.195 1.00 0.00 O ATOM 58 CB LYS A 4 2.683 1.190 10.656 1.00 0.00 C ATOM 59 CG LYS A 4 2.657 0.079 11.720 1.00 0.00 C ATOM 60 CD LYS A 4 1.360 -0.519 12.177 1.00 0.00 C ATOM 61 CE LYS A 4 1.485 -1.508 13.335 1.00 0.00 C ATOM 62 NZ LYS A 4 1.929 -2.843 12.903 1.00 0.00 N ATOM 0 H LYS A 4 1.109 3.392 9.637 1.00 0.00 H new ATOM 0 HA LYS A 4 2.155 2.460 12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.039 0.896 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.695 1.271 10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.271 -0.739 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.157 0.472 12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.690 0.287 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.892 -1.026 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.191 -1.115 14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.521 -1.596 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.061 -3.451 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.211 -3.262 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.829 -2.760 12.389 1.00 0.00 H new ATOM 76 N HIS A 5 4.367 3.637 11.601 1.00 0.00 N ATOM 77 CA HIS A 5 5.342 4.695 11.382 1.00 0.00 C ATOM 78 C HIS A 5 6.072 4.495 10.092 1.00 0.00 C ATOM 79 O HIS A 5 6.686 5.405 9.550 1.00 0.00 O ATOM 80 CB HIS A 5 6.398 4.792 12.466 1.00 0.00 C ATOM 81 CG HIS A 5 6.009 4.344 13.836 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.023 4.839 14.656 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.599 3.283 14.445 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.036 4.084 15.770 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.978 3.128 15.694 1.00 0.00 N ATOM 0 H HIS A 5 4.634 2.912 12.267 1.00 0.00 H new ATOM 0 HA HIS A 5 4.751 5.611 11.379 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.261 4.206 12.151 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.724 5.830 12.529 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.395 2.674 14.044 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.377 4.227 16.613 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.198 2.429 16.403 1.00 0.00 H new ATOM 93 N SER A 6 6.021 3.250 9.682 1.00 0.00 N ATOM 94 CA SER A 6 6.877 2.655 8.765 1.00 0.00 C ATOM 95 C SER A 6 6.049 1.824 7.795 1.00 0.00 C ATOM 96 O SER A 6 4.921 1.429 8.089 1.00 0.00 O ATOM 97 CB SER A 6 7.746 1.726 9.541 1.00 0.00 C ATOM 98 OG SER A 6 8.329 2.232 10.720 1.00 0.00 O ATOM 0 H SER A 6 5.313 2.602 10.027 1.00 0.00 H new ATOM 0 HA SER A 6 7.457 3.399 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.155 0.849 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.548 1.385 8.886 1.00 0.00 H new ATOM 0 HG SER A 6 7.680 2.185 11.452 1.00 0.00 H new ATOM 104 N ILE A 7 6.712 1.380 6.743 1.00 0.00 N ATOM 105 CA ILE A 7 6.297 0.237 5.937 1.00 0.00 C ATOM 106 C ILE A 7 6.626 -1.061 6.667 1.00 0.00 C ATOM 107 O ILE A 7 6.264 -2.155 6.252 1.00 0.00 O ATOM 108 CB ILE A 7 6.962 0.369 4.539 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.896 -0.837 3.599 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.449 0.764 4.577 1.00 0.00 C ATOM 111 CD1 ILE A 7 5.645 -0.979 2.767 1.00 0.00 C ATOM 0 H ILE A 7 7.576 1.812 6.414 1.00 0.00 H new ATOM 0 HA ILE A 7 5.218 0.217 5.784 1.00 0.00 H new ATOM 0 HB ILE A 7 6.327 1.160 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.750 -0.789 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.012 -1.741 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.833 0.834 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.557 1.729 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.012 0.009 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.721 -1.871 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.779 -1.068 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.529 -0.101 2.131 1.00 0.00 H new ATOM 123 N SER A 8 7.300 -0.956 7.801 1.00 0.00 N ATOM 124 CA SER A 8 8.045 -2.052 8.335 1.00 0.00 C ATOM 125 C SER A 8 7.691 -2.376 9.747 1.00 0.00 C ATOM 126 O SER A 8 8.059 -3.436 10.252 1.00 0.00 O ATOM 127 CB SER A 8 9.468 -1.759 8.060 1.00 0.00 C ATOM 128 OG SER A 8 10.371 -1.710 9.144 1.00 0.00 O ATOM 0 H SER A 8 7.337 -0.107 8.365 1.00 0.00 H new ATOM 0 HA SER A 8 7.789 -2.993 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.831 -2.512 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.515 -0.798 7.547 1.00 0.00 H new ATOM 0 HG SER A 8 11.271 -1.509 8.811 1.00 0.00 H new ATOM 134 N ASP A 9 6.912 -1.484 10.347 1.00 0.00 N ATOM 135 CA ASP A 9 6.203 -1.867 11.529 1.00 0.00 C ATOM 136 C ASP A 9 5.069 -2.790 11.170 1.00 0.00 C ATOM 137 O ASP A 9 4.478 -3.355 12.095 1.00 0.00 O ATOM 138 CB ASP A 9 5.555 -0.640 12.153 1.00 0.00 C ATOM 139 CG ASP A 9 6.475 0.433 12.665 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.350 0.143 13.498 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.278 1.559 12.147 1.00 0.00 O ATOM 0 H ASP A 9 6.767 -0.523 10.036 1.00 0.00 H new ATOM 0 HA ASP A 9 6.911 -2.344 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.893 -0.193 11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.928 -0.972 12.981 1.00 0.00 H new ATOM 146 N TYR A 10 4.709 -2.902 9.884 1.00 0.00 N ATOM 147 CA TYR A 10 3.553 -3.716 9.528 1.00 0.00 C ATOM 148 C TYR A 10 3.960 -4.824 8.553 1.00 0.00 C ATOM 149 O TYR A 10 5.068 -4.790 8.011 1.00 0.00 O ATOM 150 CB TYR A 10 2.349 -2.837 9.177 1.00 0.00 C ATOM 151 CG TYR A 10 2.313 -2.028 7.916 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.295 -2.157 6.931 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.264 -1.111 7.736 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.315 -1.294 5.842 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.304 -0.224 6.652 1.00 0.00 C ATOM 156 CZ TYR A 10 2.390 -0.241 5.759 1.00 0.00 C ATOM 157 OH TYR A 10 2.562 0.752 4.852 1.00 0.00 O ATOM 0 H TYR A 10 5.186 -2.454 9.102 1.00 0.00 H new ATOM 0 HA TYR A 10 3.178 -4.278 10.383 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.475 -3.488 9.161 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.213 -2.141 10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.043 -2.932 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.434 -1.090 8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.044 -1.434 5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.496 0.477 6.502 1.00 0.00 H new ATOM 0 HH TYR A 10 1.881 0.677 4.151 1.00 0.00 H new ATOM 167 N THR A 11 3.153 -5.873 8.407 1.00 0.00 N ATOM 168 CA THR A 11 3.448 -7.012 7.526 1.00 0.00 C ATOM 169 C THR A 11 2.808 -6.720 6.155 1.00 0.00 C ATOM 170 O THR A 11 2.148 -5.695 5.965 1.00 0.00 O ATOM 171 CB THR A 11 3.000 -8.367 8.144 1.00 0.00 C ATOM 172 OG1 THR A 11 1.968 -9.076 7.485 1.00 0.00 O ATOM 173 CG2 THR A 11 2.562 -8.358 9.607 1.00 0.00 C ATOM 0 H THR A 11 2.265 -5.961 8.901 1.00 0.00 H new ATOM 0 HA THR A 11 4.525 -7.123 7.399 1.00 0.00 H new ATOM 0 HB THR A 11 3.962 -8.864 8.019 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.039 -10.030 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.277 -9.366 9.908 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.386 -8.013 10.231 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.710 -7.689 9.728 1.00 0.00 H new ATOM 181 N GLU A 12 2.913 -7.630 5.193 1.00 0.00 N ATOM 182 CA GLU A 12 2.195 -7.492 3.934 1.00 0.00 C ATOM 183 C GLU A 12 0.760 -7.943 3.957 1.00 0.00 C ATOM 184 O GLU A 12 0.072 -7.634 2.997 1.00 0.00 O ATOM 185 CB GLU A 12 2.922 -8.274 2.857 1.00 0.00 C ATOM 186 CG GLU A 12 4.129 -7.425 2.495 1.00 0.00 C ATOM 187 CD GLU A 12 5.382 -8.298 2.399 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.802 -8.824 3.450 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.870 -8.469 1.264 1.00 0.00 O ATOM 0 H GLU A 12 3.488 -8.470 5.262 1.00 0.00 H new ATOM 0 HA GLU A 12 2.173 -6.421 3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.226 -9.256 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.282 -8.439 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.955 -6.920 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.275 -6.649 3.246 1.00 0.00 H new ATOM 196 N ALA A 13 0.296 -8.639 4.988 1.00 0.00 N ATOM 197 CA ALA A 13 -1.145 -8.851 5.127 1.00 0.00 C ATOM 198 C ALA A 13 -1.751 -7.585 5.701 1.00 0.00 C ATOM 199 O ALA A 13 -2.753 -7.089 5.210 1.00 0.00 O ATOM 200 CB ALA A 13 -1.426 -10.070 6.011 1.00 0.00 C ATOM 0 H ALA A 13 0.872 -9.055 5.720 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.598 -9.058 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.503 -10.212 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.980 -10.957 5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.995 -9.910 6.999 1.00 0.00 H new ATOM 206 N GLU A 14 -1.051 -7.030 6.674 1.00 0.00 N ATOM 207 CA GLU A 14 -1.242 -5.735 7.284 1.00 0.00 C ATOM 208 C GLU A 14 -1.425 -4.619 6.257 1.00 0.00 C ATOM 209 O GLU A 14 -2.430 -3.922 6.228 1.00 0.00 O ATOM 210 CB GLU A 14 0.011 -5.526 8.157 1.00 0.00 C ATOM 211 CG GLU A 14 -0.309 -5.803 9.622 1.00 0.00 C ATOM 212 CD GLU A 14 0.615 -5.255 10.716 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.665 -5.867 11.022 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.301 -4.204 11.312 1.00 0.00 O ATOM 0 H GLU A 14 -0.263 -7.524 7.093 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.160 -5.701 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.810 -6.187 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.374 -4.504 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.309 -5.416 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.356 -6.885 9.747 1.00 0.00 H new ATOM 221 N PHE A 15 -0.448 -4.455 5.383 1.00 0.00 N ATOM 222 CA PHE A 15 -0.442 -3.402 4.387 1.00 0.00 C ATOM 223 C PHE A 15 -1.325 -3.782 3.219 1.00 0.00 C ATOM 224 O PHE A 15 -1.806 -2.894 2.525 1.00 0.00 O ATOM 225 CB PHE A 15 0.991 -3.264 3.900 1.00 0.00 C ATOM 226 CG PHE A 15 1.267 -2.201 2.857 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.849 -0.880 3.070 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.050 -2.507 1.731 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.313 0.148 2.234 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.521 -1.481 0.894 1.00 0.00 C ATOM 231 CZ PHE A 15 2.189 -0.148 1.180 1.00 0.00 C ATOM 0 H PHE A 15 0.374 -5.058 5.346 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.815 -2.470 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.624 -3.062 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.304 -4.226 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.169 -0.653 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.291 -3.536 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.995 1.166 2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.134 -1.717 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.609 0.651 0.587 1.00 0.00 H new ATOM 241 N LEU A 16 -1.575 -5.075 2.988 1.00 0.00 N ATOM 242 CA LEU A 16 -2.550 -5.401 1.962 1.00 0.00 C ATOM 243 C LEU A 16 -3.916 -4.956 2.427 1.00 0.00 C ATOM 244 O LEU A 16 -4.650 -4.284 1.721 1.00 0.00 O ATOM 245 CB LEU A 16 -2.486 -6.887 1.669 1.00 0.00 C ATOM 246 CG LEU A 16 -3.385 -7.425 0.553 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.699 -6.430 -0.546 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.648 -8.575 -0.175 1.00 0.00 C ATOM 0 H LEU A 16 -1.143 -5.864 3.468 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.333 -4.878 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.455 -7.137 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.731 -7.422 2.586 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.309 -7.711 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.341 -6.901 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.210 -5.567 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.772 -6.106 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.280 -8.965 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.718 -8.199 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.426 -9.372 0.535 1.00 0.00 H new ATOM 260 N GLN A 17 -4.222 -5.243 3.675 1.00 0.00 N ATOM 261 CA GLN A 17 -5.413 -4.870 4.321 1.00 0.00 C ATOM 262 C GLN A 17 -5.518 -3.358 4.327 1.00 0.00 C ATOM 263 O GLN A 17 -6.592 -2.807 4.166 1.00 0.00 O ATOM 264 CB GLN A 17 -5.425 -5.469 5.727 1.00 0.00 C ATOM 265 CG GLN A 17 -6.539 -4.865 6.559 1.00 0.00 C ATOM 266 CD GLN A 17 -6.910 -5.755 7.742 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.696 -6.690 7.618 1.00 0.00 O ATOM 268 NE2 GLN A 17 -6.344 -5.517 8.910 1.00 0.00 N ATOM 0 H GLN A 17 -3.595 -5.774 4.279 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.286 -5.256 3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.555 -6.549 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.465 -5.291 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.230 -3.886 6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.417 -4.709 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.691 -4.740 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.559 -6.110 9.711 1.00 0.00 H new ATOM 277 N LEU A 18 -4.391 -2.680 4.453 1.00 0.00 N ATOM 278 CA LEU A 18 -4.391 -1.242 4.477 1.00 0.00 C ATOM 279 C LEU A 18 -4.784 -0.688 3.089 1.00 0.00 C ATOM 280 O LEU A 18 -5.646 0.187 2.939 1.00 0.00 O ATOM 281 CB LEU A 18 -2.991 -0.788 4.903 1.00 0.00 C ATOM 282 CG LEU A 18 -2.885 0.735 4.931 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.476 1.232 6.311 1.00 0.00 C ATOM 284 CD2 LEU A 18 -2.001 1.298 3.817 1.00 0.00 C ATOM 0 H LEU A 18 -3.469 -3.108 4.540 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.125 -0.858 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.761 -1.189 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.250 -1.193 4.214 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.882 1.124 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.409 2.320 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.220 0.921 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.506 0.811 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.968 2.385 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.992 0.896 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.412 1.015 2.848 1.00 0.00 H new ATOM 296 N VAL A 19 -4.204 -1.269 2.041 1.00 0.00 N ATOM 297 CA VAL A 19 -4.570 -0.932 0.654 1.00 0.00 C ATOM 298 C VAL A 19 -6.077 -1.255 0.495 1.00 0.00 C ATOM 299 O VAL A 19 -6.814 -0.553 -0.195 1.00 0.00 O ATOM 300 CB VAL A 19 -3.684 -1.736 -0.275 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.170 -1.559 -1.705 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.247 -1.195 -0.150 1.00 0.00 C ATOM 0 H VAL A 19 -3.475 -1.979 2.120 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.419 0.119 0.409 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.714 -2.794 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.536 -2.135 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.199 -1.910 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.124 -0.504 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.587 -1.758 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.229 -0.142 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.906 -1.302 0.880 1.00 0.00 H new ATOM 312 N THR A 20 -6.569 -2.279 1.197 1.00 0.00 N ATOM 313 CA THR A 20 -7.946 -2.725 1.188 1.00 0.00 C ATOM 314 C THR A 20 -8.826 -1.862 2.109 1.00 0.00 C ATOM 315 O THR A 20 -10.028 -1.893 1.920 1.00 0.00 O ATOM 316 CB THR A 20 -7.989 -4.259 1.430 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.618 -4.890 0.330 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.668 -4.792 2.693 1.00 0.00 C ATOM 0 H THR A 20 -5.982 -2.840 1.814 1.00 0.00 H new ATOM 0 HA THR A 20 -8.399 -2.573 0.208 1.00 0.00 H new ATOM 0 HB THR A 20 -6.933 -4.496 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.645 -5.858 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.609 -5.880 2.706 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.165 -4.391 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.714 -4.485 2.701 1.00 0.00 H new ATOM 326 N THR A 21 -8.294 -1.034 3.017 1.00 0.00 N ATOM 327 CA THR A 21 -8.960 0.054 3.725 1.00 0.00 C ATOM 328 C THR A 21 -9.161 1.235 2.775 1.00 0.00 C ATOM 329 O THR A 21 -10.080 2.019 2.982 1.00 0.00 O ATOM 330 CB THR A 21 -8.080 0.440 4.936 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.302 -0.426 6.026 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.093 1.911 5.397 1.00 0.00 C ATOM 0 H THR A 21 -7.315 -1.118 3.292 1.00 0.00 H new ATOM 0 HA THR A 21 -9.944 -0.250 4.081 1.00 0.00 H new ATOM 0 HB THR A 21 -7.072 0.316 4.540 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.039 -0.082 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.430 2.030 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.752 2.550 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.107 2.194 5.681 1.00 0.00 H new ATOM 340 N ILE A 22 -8.346 1.370 1.728 1.00 0.00 N ATOM 341 CA ILE A 22 -8.440 2.403 0.704 1.00 0.00 C ATOM 342 C ILE A 22 -9.495 1.966 -0.281 1.00 0.00 C ATOM 343 O ILE A 22 -10.504 2.638 -0.468 1.00 0.00 O ATOM 344 CB ILE A 22 -7.108 2.670 -0.028 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.977 2.688 1.010 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.219 3.933 -0.904 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.850 3.646 0.730 1.00 0.00 C ATOM 0 H ILE A 22 -7.568 0.731 1.566 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.700 3.344 1.189 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.868 1.873 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.405 2.933 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.564 1.682 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.271 4.107 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.008 3.795 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.456 4.792 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.108 3.577 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.386 3.393 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.240 4.663 0.685 1.00 0.00 H new ATOM 359 N CYS A 23 -9.305 0.755 -0.802 1.00 0.00 N ATOM 360 CA CYS A 23 -10.342 0.043 -1.508 1.00 0.00 C ATOM 361 C CYS A 23 -11.531 -0.253 -0.578 1.00 0.00 C ATOM 362 O CYS A 23 -12.489 -0.844 -1.074 1.00 0.00 O ATOM 363 CB CYS A 23 -9.781 -1.201 -2.231 1.00 0.00 C ATOM 364 SG CYS A 23 -8.243 -0.786 -3.115 1.00 0.00 S ATOM 0 H CYS A 23 -8.422 0.248 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.733 0.681 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.589 -1.994 -1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.520 -1.584 -2.935 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.284 -0.604 -2.256 1.00 0.00 H new ATOM 369 N ASN A 24 -11.511 0.161 0.713 1.00 0.00 N ATOM 370 CA ASN A 24 -12.769 0.117 1.513 1.00 0.00 C ATOM 371 C ASN A 24 -13.278 1.449 2.097 1.00 0.00 C ATOM 372 O ASN A 24 -14.400 1.470 2.595 1.00 0.00 O ATOM 373 CB ASN A 24 -12.748 -1.010 2.564 1.00 0.00 C ATOM 374 CG ASN A 24 -14.115 -1.292 3.189 1.00 0.00 C ATOM 375 OD1 ASN A 24 -15.043 -1.721 2.512 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.272 -1.139 4.496 1.00 0.00 N ATOM 0 H ASN A 24 -10.689 0.511 1.205 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.523 -0.116 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.376 -1.923 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.045 -0.746 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.162 -1.378 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.503 -0.783 5.064 1.00 0.00 H new ATOM 383 N ALA A 25 -12.532 2.566 2.039 1.00 0.00 N ATOM 384 CA ALA A 25 -12.902 3.853 2.664 1.00 0.00 C ATOM 385 C ALA A 25 -13.220 3.677 4.154 1.00 0.00 C ATOM 386 O ALA A 25 -13.960 4.465 4.739 1.00 0.00 O ATOM 387 CB ALA A 25 -14.093 4.450 1.894 1.00 0.00 C ATOM 0 H ALA A 25 -11.639 2.603 1.548 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.059 4.542 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.378 5.401 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.810 4.611 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.937 3.761 1.938 1.00 0.00 H new ATOM 393 N ASP A 26 -12.562 2.698 4.777 1.00 0.00 N ATOM 394 CA ASP A 26 -12.513 2.194 6.172 1.00 0.00 C ATOM 395 C ASP A 26 -11.801 3.154 7.117 1.00 0.00 C ATOM 396 O ASP A 26 -10.878 2.889 7.882 1.00 0.00 O ATOM 397 CB ASP A 26 -11.719 0.945 6.022 1.00 0.00 C ATOM 398 CG ASP A 26 -11.511 0.112 7.286 1.00 0.00 C ATOM 399 OD1 ASP A 26 -12.529 -0.371 7.820 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.323 -0.114 7.631 1.00 0.00 O ATOM 0 H ASP A 26 -11.930 2.130 4.212 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.505 2.061 6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.208 0.318 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.740 1.209 5.623 1.00 0.00 H new ATOM 405 N THR A 27 -12.228 4.356 6.881 1.00 0.00 N ATOM 406 CA THR A 27 -11.580 5.598 7.187 1.00 0.00 C ATOM 407 C THR A 27 -12.419 6.573 7.980 1.00 0.00 C ATOM 408 O THR A 27 -13.540 6.285 8.395 1.00 0.00 O ATOM 409 CB THR A 27 -11.096 6.161 5.857 1.00 0.00 C ATOM 410 OG1 THR A 27 -12.139 6.565 4.984 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.084 5.250 5.180 1.00 0.00 C ATOM 0 H THR A 27 -13.127 4.508 6.424 1.00 0.00 H new ATOM 0 HA THR A 27 -10.747 5.418 7.866 1.00 0.00 H new ATOM 0 HB THR A 27 -10.573 7.084 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.863 5.905 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.769 5.694 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.217 5.124 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.539 4.278 4.990 1.00 0.00 H new ATOM 419 N SER A 28 -11.844 7.761 8.167 1.00 0.00 N ATOM 420 CA SER A 28 -12.578 8.898 8.650 1.00 0.00 C ATOM 421 C SER A 28 -13.780 9.215 7.808 1.00 0.00 C ATOM 422 O SER A 28 -14.793 9.631 8.372 1.00 0.00 O ATOM 423 CB SER A 28 -11.662 10.110 8.765 1.00 0.00 C ATOM 424 OG SER A 28 -10.996 10.379 7.552 1.00 0.00 O ATOM 0 H SER A 28 -10.858 7.947 7.984 1.00 0.00 H new ATOM 0 HA SER A 28 -12.953 8.638 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.247 10.981 9.060 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.928 9.938 9.552 1.00 0.00 H new ATOM 0 HG SER A 28 -10.159 10.853 7.737 1.00 0.00 H new ATOM 430 N SER A 29 -13.623 9.008 6.503 1.00 0.00 N ATOM 431 CA SER A 29 -14.486 9.457 5.415 1.00 0.00 C ATOM 432 C SER A 29 -13.688 10.356 4.509 1.00 0.00 C ATOM 433 O SER A 29 -13.578 11.565 4.663 1.00 0.00 O ATOM 434 CB SER A 29 -15.846 10.107 5.717 1.00 0.00 C ATOM 435 OG SER A 29 -15.888 11.160 6.657 1.00 0.00 O ATOM 0 H SER A 29 -12.825 8.479 6.152 1.00 0.00 H new ATOM 0 HA SER A 29 -14.799 8.515 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.251 10.483 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.520 9.324 6.064 1.00 0.00 H new ATOM 0 HG SER A 29 -15.763 10.798 7.559 1.00 0.00 H new ATOM 441 N GLU A 30 -13.102 9.682 3.549 1.00 0.00 N ATOM 442 CA GLU A 30 -12.635 10.203 2.291 1.00 0.00 C ATOM 443 C GLU A 30 -11.243 10.825 2.336 1.00 0.00 C ATOM 444 O GLU A 30 -10.605 11.131 1.335 1.00 0.00 O ATOM 445 CB GLU A 30 -13.732 11.025 1.581 1.00 0.00 C ATOM 446 CG GLU A 30 -13.632 11.031 0.049 1.00 0.00 C ATOM 447 CD GLU A 30 -14.911 11.603 -0.584 1.00 0.00 C ATOM 448 OE1 GLU A 30 -15.903 10.842 -0.667 1.00 0.00 O ATOM 449 OE2 GLU A 30 -14.900 12.793 -0.977 1.00 0.00 O ATOM 0 H GLU A 30 -12.927 8.681 3.635 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.454 9.350 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.707 10.630 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.687 12.053 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.772 11.625 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.466 10.016 -0.312 1.00 0.00 H new ATOM 456 N GLU A 31 -10.729 10.871 3.546 1.00 0.00 N ATOM 457 CA GLU A 31 -9.663 11.726 3.971 1.00 0.00 C ATOM 458 C GLU A 31 -8.470 10.953 4.387 1.00 0.00 C ATOM 459 O GLU A 31 -7.430 10.951 3.745 1.00 0.00 O ATOM 460 CB GLU A 31 -10.224 12.606 5.003 1.00 0.00 C ATOM 461 CG GLU A 31 -9.714 14.040 4.956 1.00 0.00 C ATOM 462 CD GLU A 31 -8.309 14.136 5.577 1.00 0.00 C ATOM 463 OE1 GLU A 31 -7.322 13.785 4.898 1.00 0.00 O ATOM 464 OE2 GLU A 31 -8.174 14.402 6.793 1.00 0.00 O ATOM 0 H GLU A 31 -11.071 10.273 4.298 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.282 12.342 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.309 12.616 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.998 12.185 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.686 14.388 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.401 14.694 5.494 1.00 0.00 H new ATOM 471 N GLU A 32 -8.711 10.154 5.403 1.00 0.00 N ATOM 472 CA GLU A 32 -7.935 9.026 5.711 1.00 0.00 C ATOM 473 C GLU A 32 -7.728 8.227 4.449 1.00 0.00 C ATOM 474 O GLU A 32 -6.740 7.561 4.381 1.00 0.00 O ATOM 475 CB GLU A 32 -8.669 8.253 6.724 1.00 0.00 C ATOM 476 CG GLU A 32 -8.144 8.484 8.116 1.00 0.00 C ATOM 477 CD GLU A 32 -7.837 9.913 8.572 1.00 0.00 C ATOM 478 OE1 GLU A 32 -8.563 10.847 8.170 1.00 0.00 O ATOM 479 OE2 GLU A 32 -6.821 10.106 9.265 1.00 0.00 O ATOM 0 H GLU A 32 -9.488 10.298 6.048 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.955 9.296 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.725 8.522 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.602 7.192 6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.870 8.066 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.228 7.902 8.222 1.00 0.00 H new ATOM 486 N LEU A 33 -8.566 8.309 3.425 1.00 0.00 N ATOM 487 CA LEU A 33 -8.297 7.679 2.152 1.00 0.00 C ATOM 488 C LEU A 33 -7.131 8.281 1.417 1.00 0.00 C ATOM 489 O LEU A 33 -6.200 7.559 1.102 1.00 0.00 O ATOM 490 CB LEU A 33 -9.549 7.783 1.312 1.00 0.00 C ATOM 491 CG LEU A 33 -10.429 6.632 1.765 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.885 6.946 1.429 1.00 0.00 C ATOM 493 CD2 LEU A 33 -9.992 5.443 0.932 1.00 0.00 C ATOM 0 H LEU A 33 -9.450 8.816 3.459 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.023 6.641 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.046 8.741 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.318 7.707 0.249 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.343 6.452 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.519 6.121 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.188 7.859 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.989 7.082 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.585 4.570 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.138 5.666 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.938 5.237 1.117 1.00 0.00 H new ATOM 505 N VAL A 34 -7.158 9.585 1.185 1.00 0.00 N ATOM 506 CA VAL A 34 -6.040 10.340 0.633 1.00 0.00 C ATOM 507 C VAL A 34 -4.809 10.152 1.521 1.00 0.00 C ATOM 508 O VAL A 34 -3.673 10.184 1.067 1.00 0.00 O ATOM 509 CB VAL A 34 -6.464 11.791 0.478 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.326 12.800 0.255 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.494 11.943 -0.646 1.00 0.00 C ATOM 0 H VAL A 34 -7.976 10.162 1.379 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.762 9.978 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.897 12.040 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.743 13.803 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.643 12.772 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.784 12.542 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.781 12.990 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.060 11.603 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.375 11.344 -0.416 1.00 0.00 H new ATOM 521 N LYS A 35 -5.025 9.894 2.802 1.00 0.00 N ATOM 522 CA LYS A 35 -3.996 9.811 3.799 1.00 0.00 C ATOM 523 C LYS A 35 -3.385 8.432 3.795 1.00 0.00 C ATOM 524 O LYS A 35 -2.178 8.316 3.935 1.00 0.00 O ATOM 525 CB LYS A 35 -4.697 10.117 5.082 1.00 0.00 C ATOM 526 CG LYS A 35 -3.671 10.347 6.134 1.00 0.00 C ATOM 527 CD LYS A 35 -4.373 10.705 7.415 1.00 0.00 C ATOM 528 CE LYS A 35 -5.093 12.066 7.596 1.00 0.00 C ATOM 529 NZ LYS A 35 -6.427 12.220 6.964 1.00 0.00 N ATOM 0 H LYS A 35 -5.959 9.733 3.178 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.169 10.501 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.328 10.998 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.350 9.291 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.063 9.453 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.995 11.149 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.116 9.928 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.633 10.630 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.203 12.250 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.442 12.847 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.081 12.668 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.343 12.816 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.794 11.285 6.695 1.00 0.00 H new ATOM 543 N LEU A 36 -4.192 7.388 3.659 1.00 0.00 N ATOM 544 CA LEU A 36 -3.777 6.033 3.469 1.00 0.00 C ATOM 545 C LEU A 36 -3.102 5.910 2.120 1.00 0.00 C ATOM 546 O LEU A 36 -2.124 5.178 2.016 1.00 0.00 O ATOM 547 CB LEU A 36 -5.088 5.257 3.597 1.00 0.00 C ATOM 548 CG LEU A 36 -5.495 5.058 5.055 1.00 0.00 C ATOM 549 CD1 LEU A 36 -5.276 3.590 5.447 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.870 5.864 6.200 1.00 0.00 C ATOM 0 H LEU A 36 -5.207 7.486 3.682 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.040 5.656 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.878 5.791 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.983 4.285 3.114 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.517 5.434 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.566 3.444 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.883 2.948 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.224 3.334 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.312 5.554 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.795 5.686 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.058 6.926 6.042 1.00 0.00 H new ATOM 562 N VAL A 37 -3.580 6.659 1.125 1.00 0.00 N ATOM 563 CA VAL A 37 -2.966 6.762 -0.183 1.00 0.00 C ATOM 564 C VAL A 37 -1.561 7.329 0.028 1.00 0.00 C ATOM 565 O VAL A 37 -0.588 6.691 -0.337 1.00 0.00 O ATOM 566 CB VAL A 37 -3.888 7.583 -1.121 1.00 0.00 C ATOM 567 CG1 VAL A 37 -3.223 8.270 -2.312 1.00 0.00 C ATOM 568 CG2 VAL A 37 -5.006 6.696 -1.682 1.00 0.00 C ATOM 0 H VAL A 37 -4.426 7.221 1.217 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.850 5.803 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.251 8.377 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.975 8.810 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.469 8.971 -1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.750 7.521 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.645 7.287 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.568 5.873 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.601 6.297 -0.860 1.00 0.00 H new ATOM 578 N THR A 38 -1.426 8.454 0.714 1.00 0.00 N ATOM 579 CA THR A 38 -0.168 9.164 0.878 1.00 0.00 C ATOM 580 C THR A 38 0.801 8.470 1.830 1.00 0.00 C ATOM 581 O THR A 38 2.005 8.460 1.597 1.00 0.00 O ATOM 582 CB THR A 38 -0.415 10.616 1.122 1.00 0.00 C ATOM 583 OG1 THR A 38 -0.901 11.283 -0.031 1.00 0.00 O ATOM 584 CG2 THR A 38 0.748 11.409 1.727 1.00 0.00 C ATOM 0 H THR A 38 -2.209 8.909 1.184 1.00 0.00 H new ATOM 0 HA THR A 38 0.383 9.123 -0.062 1.00 0.00 H new ATOM 0 HB THR A 38 -1.186 10.596 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.572 10.829 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.450 12.449 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.014 10.983 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.608 11.359 1.060 1.00 0.00 H new ATOM 592 N HIS A 39 0.298 7.827 2.882 1.00 0.00 N ATOM 593 CA HIS A 39 1.065 6.867 3.637 1.00 0.00 C ATOM 594 C HIS A 39 1.562 5.781 2.697 1.00 0.00 C ATOM 595 O HIS A 39 2.724 5.436 2.804 1.00 0.00 O ATOM 596 CB HIS A 39 0.204 6.313 4.758 1.00 0.00 C ATOM 597 CG HIS A 39 0.677 5.026 5.377 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.605 4.891 6.383 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.231 3.777 5.049 1.00 0.00 C ATOM 600 CE1 HIS A 39 1.721 3.582 6.654 1.00 0.00 C ATOM 601 NE2 HIS A 39 0.901 2.863 5.868 1.00 0.00 N ATOM 0 H HIS A 39 -0.652 7.964 3.226 1.00 0.00 H new ATOM 0 HA HIS A 39 1.938 7.335 4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.134 7.067 5.542 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.804 6.159 4.373 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.505 3.539 4.295 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.381 3.164 7.400 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.789 1.849 5.869 1.00 0.00 H new ATOM 609 N PHE A 40 0.742 5.255 1.779 1.00 0.00 N ATOM 610 CA PHE A 40 1.221 4.204 0.881 1.00 0.00 C ATOM 611 C PHE A 40 2.385 4.750 0.053 1.00 0.00 C ATOM 612 O PHE A 40 3.456 4.147 0.034 1.00 0.00 O ATOM 613 CB PHE A 40 0.090 3.638 0.006 1.00 0.00 C ATOM 614 CG PHE A 40 0.521 2.514 -0.904 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.313 2.790 -2.030 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.161 1.189 -0.615 1.00 0.00 C ATOM 617 CE1 PHE A 40 1.765 1.742 -2.836 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.600 0.138 -1.442 1.00 0.00 C ATOM 619 CZ PHE A 40 1.407 0.413 -2.554 1.00 0.00 C ATOM 0 H PHE A 40 -0.230 5.532 1.642 1.00 0.00 H new ATOM 0 HA PHE A 40 1.580 3.362 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.712 3.281 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.324 4.444 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.572 3.810 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.455 0.975 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.397 1.956 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.315 -0.880 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.751 -0.390 -3.189 1.00 0.00 H new ATOM 629 N GLU A 41 2.159 5.889 -0.604 1.00 0.00 N ATOM 630 CA GLU A 41 3.118 6.654 -1.389 1.00 0.00 C ATOM 631 C GLU A 41 4.474 6.774 -0.708 1.00 0.00 C ATOM 632 O GLU A 41 5.508 6.647 -1.364 1.00 0.00 O ATOM 633 CB GLU A 41 2.633 8.032 -1.763 1.00 0.00 C ATOM 634 CG GLU A 41 1.363 8.216 -2.574 1.00 0.00 C ATOM 635 CD GLU A 41 1.171 9.697 -2.919 1.00 0.00 C ATOM 636 OE1 GLU A 41 0.539 10.418 -2.109 1.00 0.00 O ATOM 637 OE2 GLU A 41 1.666 10.089 -4.001 1.00 0.00 O ATOM 0 H GLU A 41 1.238 6.327 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 41 3.229 6.074 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.504 8.589 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.439 8.516 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.417 7.625 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.505 7.852 -2.009 1.00 0.00 H new ATOM 644 N GLU A 42 4.443 7.034 0.596 1.00 0.00 N ATOM 645 CA GLU A 42 5.605 7.174 1.439 1.00 0.00 C ATOM 646 C GLU A 42 6.272 5.804 1.569 1.00 0.00 C ATOM 647 O GLU A 42 7.373 5.525 1.085 1.00 0.00 O ATOM 648 CB GLU A 42 5.186 7.824 2.731 1.00 0.00 C ATOM 649 CG GLU A 42 6.182 8.348 3.776 1.00 0.00 C ATOM 650 CD GLU A 42 7.471 7.539 4.002 1.00 0.00 C ATOM 651 OE1 GLU A 42 7.390 6.423 4.564 1.00 0.00 O ATOM 652 OE2 GLU A 42 8.550 8.098 3.695 1.00 0.00 O ATOM 0 H GLU A 42 3.568 7.156 1.105 1.00 0.00 H new ATOM 0 HA GLU A 42 6.365 7.832 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.553 8.669 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.551 7.103 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.467 9.360 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.660 8.421 4.730 1.00 0.00 H new ATOM 659 N MET A 43 5.487 4.924 2.171 1.00 0.00 N ATOM 660 CA MET A 43 5.902 3.730 2.827 1.00 0.00 C ATOM 661 C MET A 43 6.671 2.812 1.923 1.00 0.00 C ATOM 662 O MET A 43 7.787 2.411 2.229 1.00 0.00 O ATOM 663 CB MET A 43 4.663 3.071 3.443 1.00 0.00 C ATOM 664 CG MET A 43 4.642 3.410 4.926 1.00 0.00 C ATOM 665 SD MET A 43 4.469 5.155 5.347 1.00 0.00 S ATOM 666 CE MET A 43 5.351 5.071 6.900 1.00 0.00 C ATOM 0 H MET A 43 4.475 5.050 2.207 1.00 0.00 H new ATOM 0 HA MET A 43 6.607 3.974 3.621 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.757 3.432 2.956 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.694 1.991 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.821 2.864 5.390 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.564 3.040 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.391 6.063 7.350 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.836 4.387 7.574 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.365 4.712 6.724 1.00 0.00 H new ATOM 676 N THR A 44 6.047 2.375 0.847 1.00 0.00 N ATOM 677 CA THR A 44 6.555 1.229 0.125 1.00 0.00 C ATOM 678 C THR A 44 7.821 1.541 -0.678 1.00 0.00 C ATOM 679 O THR A 44 8.347 0.606 -1.300 1.00 0.00 O ATOM 680 CB THR A 44 5.413 0.640 -0.701 1.00 0.00 C ATOM 681 OG1 THR A 44 5.897 -0.379 -1.538 1.00 0.00 O ATOM 682 CG2 THR A 44 4.680 1.713 -1.498 1.00 0.00 C ATOM 0 H THR A 44 5.200 2.790 0.459 1.00 0.00 H new ATOM 0 HA THR A 44 6.894 0.469 0.830 1.00 0.00 H new ATOM 0 HB THR A 44 4.686 0.207 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.876 -0.395 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.875 1.254 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.262 2.452 -0.815 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.378 2.201 -2.178 1.00 0.00 H new ATOM 690 N GLU A 45 8.312 2.790 -0.696 1.00 0.00 N ATOM 691 CA GLU A 45 9.500 3.176 -1.451 1.00 0.00 C ATOM 692 C GLU A 45 9.330 2.842 -2.944 1.00 0.00 C ATOM 693 O GLU A 45 10.322 2.558 -3.626 1.00 0.00 O ATOM 694 CB GLU A 45 10.733 2.467 -0.890 1.00 0.00 C ATOM 695 CG GLU A 45 10.999 2.392 0.617 1.00 0.00 C ATOM 696 CD GLU A 45 11.872 1.155 0.852 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.100 1.248 0.632 1.00 0.00 O ATOM 698 OE2 GLU A 45 11.333 0.022 0.913 1.00 0.00 O ATOM 0 H GLU A 45 7.888 3.562 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 45 9.634 4.253 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.703 1.441 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.604 2.942 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.504 3.293 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.064 2.316 1.171 1.00 0.00 H new ATOM 705 N HIS A 46 8.086 2.721 -3.422 1.00 0.00 N ATOM 706 CA HIS A 46 7.803 2.129 -4.714 1.00 0.00 C ATOM 707 C HIS A 46 7.853 3.223 -5.784 1.00 0.00 C ATOM 708 O HIS A 46 7.295 4.294 -5.557 1.00 0.00 O ATOM 709 CB HIS A 46 6.433 1.423 -4.709 1.00 0.00 C ATOM 710 CG HIS A 46 6.192 0.593 -5.949 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.312 0.883 -6.965 1.00 0.00 N ATOM 712 CD2 HIS A 46 6.918 -0.500 -6.344 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.575 0.045 -7.985 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.538 -0.818 -7.643 1.00 0.00 N ATOM 0 H HIS A 46 7.256 3.033 -2.918 1.00 0.00 H new ATOM 0 HA HIS A 46 8.555 1.372 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.364 0.782 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.645 2.171 -4.620 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.590 1.603 -6.949 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.655 -1.022 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.079 0.066 -8.944 1.00 0.00 H new ATOM 722 N PRO A 47 8.408 2.931 -6.973 1.00 0.00 N ATOM 723 CA PRO A 47 8.178 3.672 -8.214 1.00 0.00 C ATOM 724 C PRO A 47 6.838 4.382 -8.347 1.00 0.00 C ATOM 725 O PRO A 47 6.783 5.565 -8.670 1.00 0.00 O ATOM 726 CB PRO A 47 8.287 2.599 -9.298 1.00 0.00 C ATOM 727 CG PRO A 47 9.391 1.706 -8.749 1.00 0.00 C ATOM 728 CD PRO A 47 9.238 1.764 -7.258 1.00 0.00 C ATOM 0 HA PRO A 47 8.897 4.490 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.351 2.056 -9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.549 3.023 -10.267 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.290 0.685 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.374 2.060 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.772 0.854 -6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.209 1.850 -6.771 1.00 0.00 H new ATOM 736 N SER A 48 5.772 3.625 -8.138 1.00 0.00 N ATOM 737 CA SER A 48 4.450 3.935 -8.614 1.00 0.00 C ATOM 738 C SER A 48 3.542 4.214 -7.417 1.00 0.00 C ATOM 739 O SER A 48 2.518 3.569 -7.251 1.00 0.00 O ATOM 740 CB SER A 48 3.991 2.803 -9.534 1.00 0.00 C ATOM 741 OG SER A 48 4.706 2.818 -10.746 1.00 0.00 O ATOM 0 H SER A 48 5.814 2.751 -7.614 1.00 0.00 H new ATOM 0 HA SER A 48 4.421 4.843 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.133 1.844 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.924 2.903 -9.735 1.00 0.00 H new ATOM 0 HG SER A 48 4.174 3.269 -11.434 1.00 0.00 H new ATOM 747 N GLY A 49 3.972 5.121 -6.548 1.00 0.00 N ATOM 748 CA GLY A 49 3.328 5.506 -5.288 1.00 0.00 C ATOM 749 C GLY A 49 1.826 5.739 -5.455 1.00 0.00 C ATOM 750 O GLY A 49 1.027 4.826 -5.252 1.00 0.00 O ATOM 0 H GLY A 49 4.833 5.643 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.493 4.726 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.795 6.414 -4.906 1.00 0.00 H new ATOM 754 N SER A 50 1.441 6.944 -5.875 1.00 0.00 N ATOM 755 CA SER A 50 0.078 7.250 -6.286 1.00 0.00 C ATOM 756 C SER A 50 0.057 7.079 -7.798 1.00 0.00 C ATOM 757 O SER A 50 -0.207 8.021 -8.546 1.00 0.00 O ATOM 758 CB SER A 50 -0.365 8.643 -5.807 1.00 0.00 C ATOM 759 OG SER A 50 -1.636 8.963 -6.348 1.00 0.00 O ATOM 0 H SER A 50 2.075 7.740 -5.939 1.00 0.00 H new ATOM 0 HA SER A 50 -0.650 6.581 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.409 8.665 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.367 9.391 -6.112 1.00 0.00 H new ATOM 0 HG SER A 50 -1.608 8.874 -7.324 1.00 0.00 H new ATOM 765 N ASP A 51 0.346 5.863 -8.247 1.00 0.00 N ATOM 766 CA ASP A 51 0.236 5.457 -9.622 1.00 0.00 C ATOM 767 C ASP A 51 -0.475 4.139 -9.456 1.00 0.00 C ATOM 768 O ASP A 51 -1.636 4.064 -9.825 1.00 0.00 O ATOM 769 CB ASP A 51 1.633 5.363 -10.223 1.00 0.00 C ATOM 770 CG ASP A 51 1.725 4.837 -11.653 1.00 0.00 C ATOM 771 OD1 ASP A 51 0.876 5.228 -12.475 1.00 0.00 O ATOM 772 OD2 ASP A 51 2.708 4.103 -11.916 1.00 0.00 O ATOM 0 H ASP A 51 0.673 5.116 -7.634 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.294 6.121 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.084 6.355 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.237 4.720 -9.583 1.00 0.00 H new ATOM 777 N LEU A 52 0.083 3.210 -8.656 1.00 0.00 N ATOM 778 CA LEU A 52 -0.411 1.852 -8.486 1.00 0.00 C ATOM 779 C LEU A 52 -1.859 1.832 -8.109 1.00 0.00 C ATOM 780 O LEU A 52 -2.596 1.015 -8.624 1.00 0.00 O ATOM 781 CB LEU A 52 0.258 1.190 -7.284 1.00 0.00 C ATOM 782 CG LEU A 52 1.665 0.623 -7.411 1.00 0.00 C ATOM 783 CD1 LEU A 52 2.124 0.542 -5.961 1.00 0.00 C ATOM 784 CD2 LEU A 52 1.743 -0.753 -8.048 1.00 0.00 C ATOM 0 H LEU A 52 0.915 3.401 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.216 1.352 -9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.276 1.924 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.391 0.377 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 52 2.273 1.247 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.137 0.143 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.109 1.538 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.454 -0.113 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.784 -1.073 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.172 -1.463 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.330 -0.711 -9.056 1.00 0.00 H new ATOM 796 N ILE A 53 -2.256 2.698 -7.188 1.00 0.00 N ATOM 797 CA ILE A 53 -3.461 2.498 -6.411 1.00 0.00 C ATOM 798 C ILE A 53 -4.745 2.530 -7.267 1.00 0.00 C ATOM 799 O ILE A 53 -5.856 2.358 -6.765 1.00 0.00 O ATOM 800 CB ILE A 53 -3.348 3.347 -5.134 1.00 0.00 C ATOM 801 CG1 ILE A 53 -2.096 2.966 -4.307 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.550 3.128 -4.231 1.00 0.00 C ATOM 803 CD1 ILE A 53 -1.799 1.489 -4.222 1.00 0.00 C ATOM 0 H ILE A 53 -1.751 3.555 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.567 1.480 -6.037 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.286 4.385 -5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.230 3.469 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.218 3.353 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.447 3.739 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.460 3.411 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.607 2.077 -3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.903 1.332 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.641 0.975 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.638 1.092 -5.224 1.00 0.00 H new ATOM 815 N TYR A 54 -4.592 2.739 -8.577 1.00 0.00 N ATOM 816 CA TYR A 54 -5.651 2.973 -9.515 1.00 0.00 C ATOM 817 C TYR A 54 -5.239 2.998 -10.990 1.00 0.00 C ATOM 818 O TYR A 54 -6.060 2.680 -11.857 1.00 0.00 O ATOM 819 CB TYR A 54 -6.401 4.262 -9.183 1.00 0.00 C ATOM 820 CG TYR A 54 -5.712 5.221 -8.207 1.00 0.00 C ATOM 821 CD1 TYR A 54 -4.360 5.502 -8.433 1.00 0.00 C ATOM 822 CD2 TYR A 54 -6.254 5.570 -6.947 1.00 0.00 C ATOM 823 CE1 TYR A 54 -3.576 6.117 -7.484 1.00 0.00 C ATOM 824 CE2 TYR A 54 -5.455 6.210 -5.978 1.00 0.00 C ATOM 825 CZ TYR A 54 -4.123 6.561 -6.268 1.00 0.00 C ATOM 826 OH TYR A 54 -3.339 7.102 -5.303 1.00 0.00 O ATOM 0 H TYR A 54 -3.672 2.747 -9.017 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.297 2.102 -9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.587 4.798 -10.114 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.373 3.994 -8.769 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.919 5.228 -9.380 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.287 5.344 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.523 6.261 -7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.868 6.433 -5.005 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.854 7.871 -5.669 1.00 0.00 H new ATOM 836 N TYR A 55 -4.039 3.511 -11.272 1.00 0.00 N ATOM 837 CA TYR A 55 -3.601 3.898 -12.627 1.00 0.00 C ATOM 838 C TYR A 55 -3.077 2.735 -13.504 1.00 0.00 C ATOM 839 O TYR A 55 -3.377 2.742 -14.701 1.00 0.00 O ATOM 840 CB TYR A 55 -2.599 5.061 -12.561 1.00 0.00 C ATOM 841 CG TYR A 55 -2.499 6.013 -13.751 1.00 0.00 C ATOM 842 CD1 TYR A 55 -3.361 5.960 -14.870 1.00 0.00 C ATOM 843 CD2 TYR A 55 -1.508 7.011 -13.702 1.00 0.00 C ATOM 844 CE1 TYR A 55 -3.234 6.897 -15.913 1.00 0.00 C ATOM 845 CE2 TYR A 55 -1.368 7.948 -14.739 1.00 0.00 C ATOM 846 CZ TYR A 55 -2.236 7.893 -15.851 1.00 0.00 C ATOM 847 OH TYR A 55 -2.104 8.796 -16.863 1.00 0.00 O ATOM 0 H TYR A 55 -3.329 3.674 -10.558 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.503 4.232 -13.140 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.842 5.657 -11.681 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.609 4.635 -12.395 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.122 5.196 -14.925 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.843 7.057 -12.852 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.901 6.854 -16.761 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.601 8.706 -14.686 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.369 9.411 -16.659 1.00 0.00 H new ATOM 857 N PRO A 56 -2.341 1.726 -12.981 1.00 0.00 N ATOM 858 CA PRO A 56 -2.193 0.400 -13.596 1.00 0.00 C ATOM 859 C PRO A 56 -3.559 -0.196 -13.963 1.00 0.00 C ATOM 860 O PRO A 56 -4.579 0.393 -13.588 1.00 0.00 O ATOM 861 CB PRO A 56 -1.551 -0.488 -12.527 1.00 0.00 C ATOM 862 CG PRO A 56 -1.996 0.244 -11.281 1.00 0.00 C ATOM 863 CD PRO A 56 -1.689 1.647 -11.697 1.00 0.00 C ATOM 0 HA PRO A 56 -1.600 0.468 -14.508 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.917 -1.514 -12.562 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.466 -0.534 -12.619 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.053 0.094 -11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.440 -0.061 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.085 2.378 -10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.616 1.825 -11.772 1.00 0.00 H new ATOM 871 N LYS A 57 -3.563 -1.396 -14.595 1.00 0.00 N ATOM 872 CA LYS A 57 -4.698 -2.317 -14.884 1.00 0.00 C ATOM 873 C LYS A 57 -4.671 -2.932 -16.277 1.00 0.00 C ATOM 874 O LYS A 57 -5.397 -3.870 -16.581 1.00 0.00 O ATOM 875 CB LYS A 57 -6.010 -1.635 -14.588 1.00 0.00 C ATOM 876 CG LYS A 57 -7.315 -2.372 -14.790 1.00 0.00 C ATOM 877 CD LYS A 57 -8.320 -1.797 -13.781 1.00 0.00 C ATOM 878 CE LYS A 57 -8.413 -0.248 -13.668 1.00 0.00 C ATOM 879 NZ LYS A 57 -7.353 0.361 -12.814 1.00 0.00 N ATOM 0 H LYS A 57 -2.689 -1.783 -14.951 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.582 -3.169 -14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.979 -1.313 -13.547 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.050 -0.734 -15.199 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.677 -2.242 -15.810 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.181 -3.442 -14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.309 -2.176 -14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.072 -2.193 -12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.353 0.183 -14.667 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.389 0.019 -13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.696 1.262 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.121 -0.287 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.502 0.533 -13.387 1.00 0.00 H new ATOM 893 N GLU A 58 -3.788 -2.416 -17.124 1.00 0.00 N ATOM 894 CA GLU A 58 -3.948 -2.558 -18.582 1.00 0.00 C ATOM 895 C GLU A 58 -2.998 -3.479 -19.329 1.00 0.00 C ATOM 896 O GLU A 58 -3.142 -3.895 -20.476 1.00 0.00 O ATOM 897 CB GLU A 58 -4.033 -1.174 -19.124 1.00 0.00 C ATOM 898 CG GLU A 58 -4.359 -0.965 -20.609 1.00 0.00 C ATOM 899 CD GLU A 58 -5.826 -1.191 -21.014 1.00 0.00 C ATOM 900 OE1 GLU A 58 -6.629 -1.629 -20.159 1.00 0.00 O ATOM 901 OE2 GLU A 58 -6.141 -0.889 -22.190 1.00 0.00 O ATOM 0 H GLU A 58 -2.957 -1.898 -16.838 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.861 -3.125 -18.763 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.788 -0.642 -18.545 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.078 -0.686 -18.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.080 0.052 -20.883 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.733 -1.636 -21.196 1.00 0.00 H new ATOM 908 N GLY A 59 -2.050 -3.859 -18.538 1.00 0.00 N ATOM 909 CA GLY A 59 -1.189 -4.999 -18.642 1.00 0.00 C ATOM 910 C GLY A 59 -0.806 -5.379 -17.220 1.00 0.00 C ATOM 911 O GLY A 59 0.182 -6.088 -17.054 1.00 0.00 O ATOM 0 H GLY A 59 -1.832 -3.315 -17.703 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.696 -5.825 -19.141 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.304 -4.764 -19.233 1.00 0.00 H new ATOM 915 N ASP A 60 -1.521 -4.846 -16.213 1.00 0.00 N ATOM 916 CA ASP A 60 -1.077 -4.884 -14.841 1.00 0.00 C ATOM 917 C ASP A 60 -2.246 -5.244 -13.971 1.00 0.00 C ATOM 918 O ASP A 60 -3.406 -5.170 -14.371 1.00 0.00 O ATOM 919 CB ASP A 60 -0.456 -3.530 -14.447 1.00 0.00 C ATOM 920 CG ASP A 60 0.531 -3.604 -13.268 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.781 -4.717 -12.755 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.052 -2.532 -12.898 1.00 0.00 O ATOM 0 H ASP A 60 -2.419 -4.381 -16.345 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.302 -5.639 -14.710 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.061 -3.115 -15.312 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.257 -2.837 -14.192 1.00 0.00 H new ATOM 927 N ASP A 61 -1.866 -5.653 -12.788 1.00 0.00 N ATOM 928 CA ASP A 61 -2.710 -6.100 -11.706 1.00 0.00 C ATOM 929 C ASP A 61 -2.699 -5.076 -10.576 1.00 0.00 C ATOM 930 O ASP A 61 -1.918 -5.165 -9.636 1.00 0.00 O ATOM 931 CB ASP A 61 -2.454 -7.522 -11.269 1.00 0.00 C ATOM 932 CG ASP A 61 -3.376 -7.994 -10.133 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.478 -7.419 -9.966 1.00 0.00 O ATOM 934 OD2 ASP A 61 -3.001 -8.953 -9.416 1.00 0.00 O ATOM 0 H ASP A 61 -0.878 -5.685 -12.535 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.732 -6.153 -12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.579 -8.184 -12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.417 -7.612 -10.945 1.00 0.00 H new ATOM 939 N ASP A 62 -3.541 -4.061 -10.694 1.00 0.00 N ATOM 940 CA ASP A 62 -3.837 -3.035 -9.694 1.00 0.00 C ATOM 941 C ASP A 62 -4.975 -3.523 -8.773 1.00 0.00 C ATOM 942 O ASP A 62 -5.517 -2.710 -8.020 1.00 0.00 O ATOM 943 CB ASP A 62 -4.441 -1.840 -10.450 1.00 0.00 C ATOM 944 CG ASP A 62 -5.900 -2.038 -10.879 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.167 -3.066 -11.538 1.00 0.00 O ATOM 946 OD2 ASP A 62 -6.726 -1.113 -10.690 1.00 0.00 O ATOM 0 H ASP A 62 -4.076 -3.918 -11.551 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.934 -2.801 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.377 -0.955 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.837 -1.643 -11.336 1.00 0.00 H new ATOM 951 N SER A 63 -5.413 -4.797 -8.825 1.00 0.00 N ATOM 952 CA SER A 63 -6.435 -5.249 -7.875 1.00 0.00 C ATOM 953 C SER A 63 -5.921 -4.924 -6.470 1.00 0.00 C ATOM 954 O SER A 63 -4.699 -4.913 -6.311 1.00 0.00 O ATOM 955 CB SER A 63 -6.697 -6.756 -7.961 1.00 0.00 C ATOM 956 OG SER A 63 -6.941 -7.205 -9.273 1.00 0.00 O ATOM 0 H SER A 63 -5.088 -5.502 -9.487 1.00 0.00 H new ATOM 0 HA SER A 63 -7.373 -4.745 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.838 -7.291 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.553 -7.005 -7.334 1.00 0.00 H new ATOM 0 HG SER A 63 -6.116 -7.577 -9.650 1.00 0.00 H new ATOM 962 N PRO A 64 -6.767 -4.763 -5.430 1.00 0.00 N ATOM 963 CA PRO A 64 -6.377 -4.239 -4.117 1.00 0.00 C ATOM 964 C PRO A 64 -5.193 -4.927 -3.445 1.00 0.00 C ATOM 965 O PRO A 64 -4.637 -4.447 -2.473 1.00 0.00 O ATOM 966 CB PRO A 64 -7.612 -4.401 -3.246 1.00 0.00 C ATOM 967 CG PRO A 64 -8.750 -4.211 -4.245 1.00 0.00 C ATOM 968 CD PRO A 64 -8.201 -4.984 -5.439 1.00 0.00 C ATOM 0 HA PRO A 64 -6.038 -3.212 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.648 -5.382 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.645 -3.660 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.693 -4.621 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.928 -3.161 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.433 -6.046 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.645 -4.632 -6.370 1.00 0.00 H new ATOM 976 N SER A 65 -4.866 -6.085 -3.976 1.00 0.00 N ATOM 977 CA SER A 65 -3.844 -7.049 -3.774 1.00 0.00 C ATOM 978 C SER A 65 -2.684 -7.018 -4.717 1.00 0.00 C ATOM 979 O SER A 65 -1.574 -6.921 -4.223 1.00 0.00 O ATOM 980 CB SER A 65 -4.563 -8.375 -3.786 1.00 0.00 C ATOM 981 OG SER A 65 -5.486 -8.521 -4.863 1.00 0.00 O ATOM 0 H SER A 65 -5.464 -6.425 -4.729 1.00 0.00 H new ATOM 0 HA SER A 65 -3.337 -6.833 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.826 -9.176 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.097 -8.496 -2.844 1.00 0.00 H new ATOM 0 HG SER A 65 -5.913 -9.401 -4.810 1.00 0.00 H new ATOM 987 N GLY A 66 -2.919 -7.171 -6.004 1.00 0.00 N ATOM 988 CA GLY A 66 -2.051 -7.018 -7.117 1.00 0.00 C ATOM 989 C GLY A 66 -1.271 -5.751 -6.973 1.00 0.00 C ATOM 990 O GLY A 66 -0.073 -5.847 -7.053 1.00 0.00 O ATOM 0 H GLY A 66 -3.852 -7.441 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.373 -7.869 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.628 -6.999 -8.041 1.00 0.00 H new ATOM 994 N ILE A 67 -1.858 -4.614 -6.601 1.00 0.00 N ATOM 995 CA ILE A 67 -1.041 -3.429 -6.382 1.00 0.00 C ATOM 996 C ILE A 67 0.003 -3.609 -5.300 1.00 0.00 C ATOM 997 O ILE A 67 1.176 -3.246 -5.427 1.00 0.00 O ATOM 998 CB ILE A 67 -1.861 -2.182 -6.016 1.00 0.00 C ATOM 999 CG1 ILE A 67 -2.986 -2.446 -5.014 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.421 -1.434 -7.173 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.187 -1.474 -4.973 1.00 0.00 C ATOM 0 H ILE A 67 -2.859 -4.492 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.554 -3.283 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.105 -1.554 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.376 -3.445 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.543 -2.467 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.982 -0.572 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.608 -1.094 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.084 -2.086 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.894 -1.801 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.835 -0.470 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.680 -1.464 -5.945 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.439 -4.193 -4.200 1.00 0.00 N ATOM 1014 CA VAL A 68 0.450 -4.449 -3.077 1.00 0.00 C ATOM 1015 C VAL A 68 1.374 -5.590 -3.453 1.00 0.00 C ATOM 1016 O VAL A 68 2.407 -5.797 -2.826 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.372 -4.785 -1.828 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.384 -4.471 -0.523 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.574 -3.895 -1.738 1.00 0.00 C ATOM 0 H VAL A 68 -1.402 -4.498 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 68 1.047 -3.566 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.606 -5.845 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.243 -4.727 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.304 -5.054 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.626 -3.409 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.147 -4.147 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.253 -2.855 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.198 -4.035 -2.621 1.00 0.00 H new ATOM 1029 N ASN A 69 0.987 -6.337 -4.467 1.00 0.00 N ATOM 1030 CA ASN A 69 1.764 -7.334 -5.169 1.00 0.00 C ATOM 1031 C ASN A 69 2.788 -6.738 -6.079 1.00 0.00 C ATOM 1032 O ASN A 69 3.873 -7.280 -6.141 1.00 0.00 O ATOM 1033 CB ASN A 69 0.929 -8.309 -5.915 1.00 0.00 C ATOM 1034 CG ASN A 69 1.313 -9.747 -5.630 1.00 0.00 C ATOM 1035 OD1 ASN A 69 2.452 -10.156 -5.810 1.00 0.00 O ATOM 1036 ND2 ASN A 69 0.383 -10.513 -5.087 1.00 0.00 N ATOM 0 H ASN A 69 0.045 -6.254 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 69 2.285 -7.877 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.119 -8.158 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.022 -8.118 -6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.608 -11.468 -4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.560 -10.149 -4.947 1.00 0.00 H new ATOM 1043 N THR A 70 2.504 -5.646 -6.760 1.00 0.00 N ATOM 1044 CA THR A 70 3.419 -5.130 -7.728 1.00 0.00 C ATOM 1045 C THR A 70 4.609 -4.579 -6.942 1.00 0.00 C ATOM 1046 O THR A 70 5.776 -4.736 -7.304 1.00 0.00 O ATOM 1047 CB THR A 70 2.727 -4.036 -8.542 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.528 -4.553 -9.066 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.585 -3.503 -9.693 1.00 0.00 C ATOM 0 H THR A 70 1.645 -5.107 -6.653 1.00 0.00 H new ATOM 0 HA THR A 70 3.755 -5.892 -8.431 1.00 0.00 H new ATOM 0 HB THR A 70 2.544 -3.199 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.947 -4.841 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.035 -2.730 -10.229 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.507 -3.081 -9.294 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.824 -4.318 -10.376 1.00 0.00 H new ATOM 1057 N VAL A 71 4.298 -4.050 -5.752 1.00 0.00 N ATOM 1058 CA VAL A 71 5.249 -3.750 -4.720 1.00 0.00 C ATOM 1059 C VAL A 71 5.975 -5.007 -4.402 1.00 0.00 C ATOM 1060 O VAL A 71 7.188 -5.004 -4.469 1.00 0.00 O ATOM 1061 CB VAL A 71 4.543 -3.156 -3.495 1.00 0.00 C ATOM 1062 CG1 VAL A 71 5.329 -3.256 -2.203 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.340 -1.728 -3.903 1.00 0.00 C ATOM 0 H VAL A 71 3.340 -3.818 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 71 5.964 -2.997 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 71 3.628 -3.698 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.753 -2.811 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.525 -4.304 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.275 -2.725 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.837 -1.188 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.307 -1.265 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.728 -1.691 -4.804 1.00 0.00 H new ATOM 1073 N LYS A 72 5.267 -6.089 -4.116 1.00 0.00 N ATOM 1074 CA LYS A 72 5.888 -7.368 -3.798 1.00 0.00 C ATOM 1075 C LYS A 72 6.794 -7.987 -4.831 1.00 0.00 C ATOM 1076 O LYS A 72 7.263 -9.104 -4.657 1.00 0.00 O ATOM 1077 CB LYS A 72 4.851 -8.407 -3.412 1.00 0.00 C ATOM 1078 CG LYS A 72 5.171 -8.677 -1.963 1.00 0.00 C ATOM 1079 CD LYS A 72 4.545 -7.520 -1.210 1.00 0.00 C ATOM 1080 CE LYS A 72 3.291 -8.080 -0.535 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.304 -7.026 -0.248 1.00 0.00 N ATOM 0 H LYS A 72 4.247 -6.106 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 72 6.538 -7.090 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.836 -8.031 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.936 -9.308 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.758 -9.632 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.247 -8.722 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.237 -7.116 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.291 -6.705 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.839 -8.835 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.570 -8.578 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.568 -7.402 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.778 -6.223 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.868 -6.707 -1.137 1.00 0.00 H new ATOM 1095 N GLN A 73 6.983 -7.273 -5.910 1.00 0.00 N ATOM 1096 CA GLN A 73 7.733 -7.587 -7.066 1.00 0.00 C ATOM 1097 C GLN A 73 8.851 -6.591 -7.247 1.00 0.00 C ATOM 1098 O GLN A 73 9.995 -6.993 -7.341 1.00 0.00 O ATOM 1099 CB GLN A 73 6.826 -7.853 -8.270 1.00 0.00 C ATOM 1100 CG GLN A 73 5.920 -8.998 -7.815 1.00 0.00 C ATOM 1101 CD GLN A 73 4.929 -9.504 -8.839 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.286 -9.943 -9.926 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.665 -9.454 -8.464 1.00 0.00 N ATOM 0 H GLN A 73 6.557 -6.350 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 73 8.247 -8.541 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.247 -6.968 -8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.405 -8.130 -9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.549 -9.832 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.368 -8.670 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.419 -9.079 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.934 -9.790 -9.090 1.00 0.00 H new ATOM 1112 N TRP A 74 8.580 -5.303 -7.123 1.00 0.00 N ATOM 1113 CA TRP A 74 9.562 -4.250 -7.003 1.00 0.00 C ATOM 1114 C TRP A 74 10.361 -4.437 -5.714 1.00 0.00 C ATOM 1115 O TRP A 74 11.522 -4.824 -5.747 1.00 0.00 O ATOM 1116 CB TRP A 74 8.930 -2.898 -7.118 1.00 0.00 C ATOM 1117 CG TRP A 74 9.969 -1.915 -7.553 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.316 -1.679 -8.827 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.866 -1.101 -6.771 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.433 -0.875 -8.895 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.802 -0.459 -7.638 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.912 -0.785 -5.414 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.775 0.433 -7.169 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.836 0.153 -4.957 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.785 0.750 -5.803 1.00 0.00 C ATOM 0 H TRP A 74 7.623 -4.951 -7.103 1.00 0.00 H new ATOM 0 HA TRP A 74 10.265 -4.313 -7.833 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.111 -2.924 -7.837 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.504 -2.598 -6.161 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.789 -2.068 -9.686 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.918 -0.624 -9.757 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.236 -1.264 -4.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.500 0.866 -7.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.822 0.431 -3.914 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.512 1.443 -5.407 1.00 0.00 H new ATOM 1136 N ARG A 75 9.725 -4.284 -4.552 1.00 0.00 N ATOM 1137 CA ARG A 75 10.237 -4.594 -3.221 1.00 0.00 C ATOM 1138 C ARG A 75 10.711 -6.053 -3.072 1.00 0.00 C ATOM 1139 O ARG A 75 11.201 -6.401 -2.006 1.00 0.00 O ATOM 1140 CB ARG A 75 9.144 -4.356 -2.143 1.00 0.00 C ATOM 1141 CG ARG A 75 9.069 -2.877 -1.731 1.00 0.00 C ATOM 1142 CD ARG A 75 8.480 -2.706 -0.327 1.00 0.00 C ATOM 1143 NE ARG A 75 9.426 -2.114 0.636 1.00 0.00 N ATOM 1144 CZ ARG A 75 9.404 -2.318 1.956 1.00 0.00 C ATOM 1145 NH1 ARG A 75 8.550 -3.172 2.506 1.00 0.00 N ATOM 1146 NH2 ARG A 75 10.214 -1.622 2.737 1.00 0.00 N ATOM 0 H ARG A 75 8.775 -3.915 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 75 11.090 -3.930 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.176 -4.677 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.357 -4.968 -1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.067 -2.440 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.459 -2.330 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.593 -2.076 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.156 -3.678 0.044 1.00 0.00 H new ATOM 0 HE ARG A 75 10.153 -1.502 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.894 -3.687 1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.549 -3.313 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.849 -0.935 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.203 -1.772 3.746 1.00 0.00 H new ATOM 1160 N ALA A 76 10.593 -6.914 -4.080 1.00 0.00 N ATOM 1161 CA ALA A 76 11.170 -8.258 -4.057 1.00 0.00 C ATOM 1162 C ALA A 76 12.300 -8.487 -5.043 1.00 0.00 C ATOM 1163 O ALA A 76 13.172 -9.321 -4.825 1.00 0.00 O ATOM 1164 CB ALA A 76 10.084 -9.301 -4.238 1.00 0.00 C ATOM 0 H ALA A 76 10.091 -6.698 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 76 11.628 -8.358 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.528 -10.296 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.357 -9.213 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.585 -9.145 -5.195 1.00 0.00 H new ATOM 1170 N ALA A 77 12.321 -7.687 -6.090 1.00 0.00 N ATOM 1171 CA ALA A 77 13.292 -7.736 -7.175 1.00 0.00 C ATOM 1172 C ALA A 77 14.474 -6.872 -6.814 1.00 0.00 C ATOM 1173 O ALA A 77 15.638 -7.219 -6.980 1.00 0.00 O ATOM 1174 CB ALA A 77 12.666 -7.150 -8.440 1.00 0.00 C ATOM 0 H ALA A 77 11.630 -6.948 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 77 13.597 -8.770 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.390 -7.185 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.785 -7.731 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.376 -6.115 -8.257 1.00 0.00 H new ATOM 1180 N ASN A 78 14.111 -5.720 -6.273 1.00 0.00 N ATOM 1181 CA ASN A 78 14.952 -4.818 -5.551 1.00 0.00 C ATOM 1182 C ASN A 78 15.274 -5.379 -4.167 1.00 0.00 C ATOM 1183 O ASN A 78 16.059 -4.808 -3.423 1.00 0.00 O ATOM 1184 CB ASN A 78 14.190 -3.490 -5.519 1.00 0.00 C ATOM 1185 CG ASN A 78 15.110 -2.285 -5.672 1.00 0.00 C ATOM 1186 OD1 ASN A 78 15.388 -1.551 -4.736 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.606 -2.049 -6.876 1.00 0.00 N ATOM 0 H ASN A 78 13.152 -5.380 -6.339 1.00 0.00 H new ATOM 0 HA ASN A 78 15.925 -4.672 -6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.449 -3.481 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.645 -3.410 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.224 -1.251 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.371 -2.665 -7.654 1.00 0.00 H new ATOM 1194 N GLY A 79 14.658 -6.518 -3.844 1.00 0.00 N ATOM 1195 CA GLY A 79 15.028 -7.393 -2.723 1.00 0.00 C ATOM 1196 C GLY A 79 14.621 -6.821 -1.366 1.00 0.00 C ATOM 1197 O GLY A 79 15.056 -7.299 -0.319 1.00 0.00 O ATOM 0 H GLY A 79 13.860 -6.871 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.557 -8.367 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.106 -7.555 -2.735 1.00 0.00 H new ATOM 1201 N LYS A 80 13.793 -5.780 -1.423 1.00 0.00 N ATOM 1202 CA LYS A 80 13.477 -4.815 -0.345 1.00 0.00 C ATOM 1203 C LYS A 80 13.294 -5.438 1.020 1.00 0.00 C ATOM 1204 O LYS A 80 13.843 -4.989 2.021 1.00 0.00 O ATOM 1205 CB LYS A 80 12.421 -3.806 -0.702 1.00 0.00 C ATOM 1206 CG LYS A 80 13.043 -3.238 -1.977 1.00 0.00 C ATOM 1207 CD LYS A 80 13.129 -1.857 -2.222 1.00 0.00 C ATOM 1208 CE LYS A 80 12.065 -0.900 -2.077 1.00 0.00 C ATOM 1209 NZ LYS A 80 12.712 0.430 -1.906 1.00 0.00 N ATOM 0 H LYS A 80 13.284 -5.564 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 80 14.390 -4.227 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.447 -4.262 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.284 -3.050 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.059 -3.628 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.492 -3.670 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.937 -1.496 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.470 -1.763 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.416 -0.906 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.441 -1.141 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.084 1.172 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.892 0.601 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.612 0.447 -2.426 1.00 0.00 H new ATOM 1223 N SER A 81 12.507 -6.499 1.003 1.00 0.00 N ATOM 1224 CA SER A 81 11.909 -7.131 2.135 1.00 0.00 C ATOM 1225 C SER A 81 11.085 -6.054 2.797 1.00 0.00 C ATOM 1226 O SER A 81 10.203 -5.471 2.173 1.00 0.00 O ATOM 1227 CB SER A 81 12.944 -7.908 2.872 1.00 0.00 C ATOM 1228 OG SER A 81 13.743 -8.723 2.028 1.00 0.00 O ATOM 0 H SER A 81 12.260 -6.964 0.129 1.00 0.00 H new ATOM 0 HA SER A 81 11.192 -7.933 1.957 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.589 -7.217 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.455 -8.537 3.615 1.00 0.00 H new ATOM 0 HG SER A 81 14.244 -8.156 1.405 1.00 0.00 H new ATOM 1234 N GLY A 82 11.446 -5.760 4.021 1.00 0.00 N ATOM 1235 CA GLY A 82 11.117 -4.500 4.651 1.00 0.00 C ATOM 1236 C GLY A 82 9.706 -4.345 5.139 1.00 0.00 C ATOM 1237 O GLY A 82 9.210 -3.226 5.233 1.00 0.00 O ATOM 0 H GLY A 82 11.981 -6.392 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.789 -4.356 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.323 -3.699 3.941 1.00 0.00 H new ATOM 1241 N PHE A 83 9.069 -5.462 5.399 1.00 0.00 N ATOM 1242 CA PHE A 83 7.941 -5.607 6.246 1.00 0.00 C ATOM 1243 C PHE A 83 8.359 -6.533 7.374 1.00 0.00 C ATOM 1244 O PHE A 83 9.469 -7.057 7.494 1.00 0.00 O ATOM 1245 CB PHE A 83 6.798 -6.279 5.503 1.00 0.00 C ATOM 1246 CG PHE A 83 6.146 -5.446 4.471 1.00 0.00 C ATOM 1247 CD1 PHE A 83 5.010 -4.659 4.727 1.00 0.00 C ATOM 1248 CD2 PHE A 83 6.617 -5.631 3.183 1.00 0.00 C ATOM 1249 CE1 PHE A 83 4.429 -4.000 3.644 1.00 0.00 C ATOM 1250 CE2 PHE A 83 6.028 -4.992 2.100 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.936 -4.139 2.327 1.00 0.00 C ATOM 0 H PHE A 83 9.358 -6.349 4.987 1.00 0.00 H new ATOM 0 HA PHE A 83 7.613 -4.629 6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.176 -7.186 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.045 -6.587 6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.603 -4.568 5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.460 -6.286 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.570 -3.367 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.404 -5.149 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.488 -3.595 1.509 1.00 0.00 H new ATOM 1261 N LYS A 84 7.333 -6.712 8.158 1.00 0.00 N ATOM 1262 CA LYS A 84 6.929 -7.665 9.097 1.00 0.00 C ATOM 1263 C LYS A 84 6.440 -8.898 8.360 1.00 0.00 C ATOM 1264 O LYS A 84 6.485 -9.006 7.142 1.00 0.00 O ATOM 1265 CB LYS A 84 5.978 -6.903 9.949 1.00 0.00 C ATOM 1266 CG LYS A 84 5.772 -7.476 11.344 1.00 0.00 C ATOM 1267 CD LYS A 84 5.101 -6.362 12.124 1.00 0.00 C ATOM 1268 CE LYS A 84 4.260 -6.841 13.301 1.00 0.00 C ATOM 1269 NZ LYS A 84 2.988 -7.459 12.868 1.00 0.00 N ATOM 0 H LYS A 84 6.604 -6.000 8.116 1.00 0.00 H new ATOM 0 HA LYS A 84 7.685 -8.094 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.336 -5.878 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.013 -6.859 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.150 -8.370 11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.721 -7.762 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.867 -5.680 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.466 -5.791 11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.832 -7.563 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.047 -5.998 13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.250 -7.266 13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.703 -7.060 11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.116 -8.487 12.773 1.00 0.00 H new ATOM 1283 N GLN A 85 5.948 -9.826 9.141 1.00 0.00 N ATOM 1284 CA GLN A 85 5.428 -11.110 8.694 1.00 0.00 C ATOM 1285 C GLN A 85 4.138 -11.479 9.391 1.00 0.00 C ATOM 1286 O GLN A 85 3.089 -11.560 8.751 1.00 0.00 O ATOM 1287 CB GLN A 85 6.473 -12.162 8.638 1.00 0.00 C ATOM 1288 CG GLN A 85 6.801 -12.727 7.240 1.00 0.00 C ATOM 1289 CD GLN A 85 8.062 -13.587 7.249 1.00 0.00 C ATOM 1290 OE1 GLN A 85 8.190 -14.533 8.016 1.00 0.00 O ATOM 1291 NE2 GLN A 85 9.025 -13.280 6.394 1.00 0.00 N ATOM 0 H GLN A 85 5.893 -9.710 10.153 1.00 0.00 H new ATOM 0 HA GLN A 85 5.130 -11.009 7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.390 -11.757 9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.161 -12.989 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.960 -13.322 6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.930 -11.903 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.910 -12.490 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.882 -13.833 6.371 1.00 0.00 H new ATOM 1300 N GLY A 86 4.231 -11.618 10.707 1.00 0.00 N ATOM 1301 CA GLY A 86 3.104 -11.705 11.609 1.00 0.00 C ATOM 1302 C GLY A 86 3.197 -10.532 12.561 1.00 0.00 C ATOM 1303 O GLY A 86 2.147 -10.015 12.979 1.00 0.00 O ATOM 1304 OXT GLY A 86 4.320 -10.025 12.768 1.00 0.00 O ATOM 0 H GLY A 86 5.129 -11.675 11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.166 -11.677 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.122 -12.647 12.157 1.00 0.00 H new